Program PWSCF v.5.1.1 starts on 8Jun2016 at 8:27: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AgClO4.save/ 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 45 26 7 1155 500 78 Max 46 27 8 1160 520 82 Sum 2187 1263 361 55533 24547 3815 bravais-lattice index = 14 lattice parameter (alat) = 9.2108 a.u. unit-cell volume = 563.6034 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.210823 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.478887 celldm(5)= -0.478887 celldm(6)= -0.042225 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.042225 0.999108 0.000000 ) a(3) = ( -0.478887 -0.499554 0.721881 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.042263 0.692635 ) b(2) = ( 0.000000 1.000893 0.692635 ) b(3) = ( 0.000000 0.000000 1.385269 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) Ag 11.00 107.86820 Ag( 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= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0153919), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0307838), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0461756), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0615675), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0769594), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.0923513), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.1077432), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.1231351), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.1385269), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.1539188), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.1693107), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.1847026), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.2000945), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.2154864), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.2308782), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.2462701), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.2616620), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.2770539), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.2924458), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.3078376), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.3232295), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.3386214), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.3540133), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.3694052), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.3847971), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.4001889), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.4155808), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.4309727), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.4463646), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.4617565), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.4771483), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.4925402), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.5079321), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.5233240), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.5387159), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.5541078), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.5694996), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.5848915), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.6002834), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.6156753), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.6310672), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.6464591), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.6618509), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.6772428), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.6926347), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.6926347), wk = 0.0028818 k( 48) = ( -0.0108817 0.0104316 0.6926347), wk = 0.0028818 k( 49) = ( -0.0217635 0.0208631 0.6926347), wk = 0.0028818 k( 50) = ( -0.0326452 0.0312947 0.6926347), wk = 0.0028818 k( 51) = ( -0.0435269 0.0417262 0.6926347), wk = 0.0028818 k( 52) = ( -0.0544087 0.0521578 0.6926347), wk = 0.0028818 k( 53) = ( -0.0652904 0.0625893 0.6926347), wk = 0.0028818 k( 54) = ( -0.0761721 0.0730209 0.6926347), wk = 0.0028818 k( 55) = ( -0.0870539 0.0834524 0.6926347), wk = 0.0028818 k( 56) = ( -0.0979356 0.0938840 0.6926347), wk = 0.0028818 k( 57) = ( -0.1088173 0.1043155 0.6926347), wk = 0.0028818 k( 58) = ( -0.1196991 0.1147471 0.6926347), wk = 0.0028818 k( 59) = ( -0.1305808 0.1251787 0.6926347), wk = 0.0028818 k( 60) = ( -0.1414625 0.1356102 0.6926347), wk = 0.0028818 k( 61) = ( -0.1523443 0.1460418 0.6926347), wk = 0.0028818 k( 62) = ( -0.1632260 0.1564733 0.6926347), wk = 0.0028818 k( 63) = ( -0.1741077 0.1669049 0.6926347), wk = 0.0028818 k( 64) = ( -0.1849895 0.1773364 0.6926347), wk = 0.0028818 k( 65) = ( -0.1958712 0.1877680 0.6926347), wk = 0.0028818 k( 66) = ( -0.2067529 0.1981995 0.6926347), wk = 0.0028818 k( 67) = ( -0.2176347 0.2086311 0.6926347), wk = 0.0028818 k( 68) = ( -0.2285164 0.2190626 0.6926347), wk = 0.0028818 k( 69) = ( -0.2393981 0.2294942 0.6926347), wk = 0.0028818 k( 70) = ( -0.2502799 0.2399258 0.6926347), wk = 0.0028818 k( 71) = ( -0.2611616 0.2503573 0.6926347), wk = 0.0028818 k( 72) = ( -0.2720433 0.2607889 0.6926347), wk = 0.0028818 k( 73) = ( -0.2720433 0.2607889 0.6926347), wk = 0.0028818 k( 74) = ( -0.2796419 0.2680731 0.6821086), wk = 0.0028818 k( 75) = ( -0.2872404 0.2753573 0.6715826), wk = 0.0028818 k( 76) = ( -0.2948390 0.2826415 0.6610565), wk = 0.0028818 k( 77) = ( -0.3024375 0.2899257 0.6505305), wk = 0.0028818 k( 78) = ( -0.3100361 0.2972099 0.6400045), wk = 0.0028818 k( 79) = ( -0.3176347 0.3044941 0.6294784), wk = 0.0028818 k( 80) = ( -0.3252332 0.3117783 0.6189524), wk = 0.0028818 k( 81) = ( -0.3328318 0.3190625 0.6084263), wk = 0.0028818 k( 82) = ( -0.3404303 0.3263467 0.5979003), wk = 0.0028818 k( 83) = ( -0.3480289 0.3336309 0.5873742), wk = 0.0028818 k( 84) = ( -0.3556274 0.3409151 0.5768482), wk = 0.0028818 k( 85) = ( -0.3632260 0.3481993 0.5663221), wk = 0.0028818 k( 86) = ( -0.3708245 0.3554835 0.5557961), wk = 0.0028818 k( 87) = ( -0.3784231 0.3627677 0.5452700), wk = 0.0028818 k( 88) = ( -0.3860217 0.3700519 0.5347440), wk = 0.0028818 k( 89) = ( -0.3860217 0.3700519 0.5347440), wk = 0.0028818 k( 90) = ( -0.3781437 0.3624998 0.5238308), wk = 0.0028818 k( 91) = ( -0.3702657 0.3549477 0.5129177), wk = 0.0028818 k( 92) = ( -0.3623877 0.3473957 0.5020046), wk = 0.0028818 k( 93) = ( -0.3545097 0.3398436 0.4910914), wk = 0.0028818 k( 94) = ( -0.3466317 0.3322915 0.4801783), wk = 0.0028818 k( 95) = ( -0.3387537 0.3247394 0.4692651), wk = 0.0028818 k( 96) = ( -0.3308757 0.3171873 0.4583520), wk = 0.0028818 k( 97) = ( -0.3229977 0.3096353 0.4474389), wk = 0.0028818 k( 98) = ( -0.3151197 0.3020832 0.4365257), wk = 0.0028818 k( 99) = ( -0.3072417 0.2945311 0.4256126), wk = 0.0028818 k( 100) = ( -0.2993637 0.2869790 0.4146994), wk = 0.0028818 k( 101) = ( -0.2914857 0.2794270 0.4037863), wk = 0.0028818 k( 102) = ( -0.2836077 0.2718749 0.3928731), wk = 0.0028818 k( 103) = ( -0.2757298 0.2643228 0.3819600), wk = 0.0028818 k( 104) = ( -0.2678518 0.2567707 0.3710469), wk = 0.0028818 k( 105) = ( -0.2599738 0.2492186 0.3601337), wk = 0.0028818 k( 106) = ( -0.2520958 0.2416666 0.3492206), wk = 0.0028818 k( 107) = ( -0.2442178 0.2341145 0.3383074), wk = 0.0028818 k( 108) = ( -0.2363398 0.2265624 0.3273943), wk = 0.0028818 k( 109) = ( -0.2284618 0.2190103 0.3164811), wk = 0.0028818 k( 110) = ( -0.2205838 0.2114582 0.3055680), wk = 0.0028818 k( 111) = ( -0.2127058 0.2039061 0.2946548), wk = 0.0028818 k( 112) = ( -0.2048278 0.1963541 0.2837417), wk = 0.0028818 k( 113) = ( -0.1969498 0.1888020 0.2728286), wk = 0.0028818 k( 114) = ( -0.1890718 0.1812499 0.2619154), wk = 0.0028818 k( 115) = ( -0.1811938 0.1736978 0.2510023), wk = 0.0028818 k( 116) = ( -0.1733158 0.1661458 0.2400891), wk = 0.0028818 k( 117) = ( -0.1654379 0.1585937 0.2291760), wk = 0.0028818 k( 118) = ( -0.1575599 0.1510416 0.2182629), wk = 0.0028818 k( 119) = ( -0.1496819 0.1434895 0.2073497), wk = 0.0028818 k( 120) = ( -0.1418039 0.1359374 0.1964366), wk = 0.0028818 k( 121) = ( -0.1339259 0.1283854 0.1855234), wk = 0.0028818 k( 122) = ( -0.1260479 0.1208333 0.1746103), wk = 0.0028818 k( 123) = ( -0.1181699 0.1132812 0.1636971), wk = 0.0028818 k( 124) = ( -0.1102919 0.1057291 0.1527840), wk = 0.0028818 k( 125) = ( -0.1024139 0.0981770 0.1418709), wk = 0.0028818 k( 126) = ( -0.0945359 0.0906250 0.1309577), wk = 0.0028818 k( 127) = ( -0.0866579 0.0830729 0.1200446), wk = 0.0028818 k( 128) = ( -0.0787799 0.0755208 0.1091314), wk = 0.0028818 k( 129) = ( -0.0709019 0.0679687 0.0982183), wk = 0.0028818 k( 130) = ( -0.0630239 0.0604166 0.0873051), wk = 0.0028818 k( 131) = ( -0.0551459 0.0528646 0.0763920), wk = 0.0028818 k( 132) = ( -0.0472680 0.0453125 0.0654789), wk = 0.0028818 k( 133) = ( -0.0393900 0.0377604 0.0545657), wk = 0.0028818 k( 134) = ( -0.0315120 0.0302083 0.0436526), wk = 0.0028818 k( 135) = ( -0.0236340 0.0226562 0.0327394), wk = 0.0028818 k( 136) = ( -0.0157560 0.0151042 0.0218263), wk = 0.0028818 k( 137) = ( -0.0078780 0.0075521 0.0109131), wk = 0.0028818 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 140) = ( 0.0106383 0.0110974 0.0000000), wk = 0.0028818 k( 141) = ( 0.0212766 0.0221948 0.0000000), wk = 0.0028818 k( 142) = ( 0.0319149 0.0332922 0.0000000), wk = 0.0028818 k( 143) = ( 0.0425532 0.0443896 0.0000000), wk = 0.0028818 k( 144) = ( 0.0531915 0.0554870 0.0000000), wk = 0.0028818 k( 145) = ( 0.0638298 0.0665844 0.0000000), wk = 0.0028818 k( 146) = ( 0.0744681 0.0776818 0.0000000), wk = 0.0028818 k( 147) = ( 0.0851064 0.0887792 0.0000000), wk = 0.0028818 k( 148) = ( 0.0957447 0.0998766 0.0000000), wk = 0.0028818 k( 149) = ( 0.1063830 0.1109740 0.0000000), wk = 0.0028818 k( 150) = ( 0.1170213 0.1220714 0.0000000), wk = 0.0028818 k( 151) = ( 0.1276596 0.1331688 0.0000000), wk = 0.0028818 k( 152) = ( 0.1382979 0.1442662 0.0000000), wk = 0.0028818 k( 153) = ( 0.1489362 0.1553636 0.0000000), wk = 0.0028818 k( 154) = ( 0.1595745 0.1664610 0.0000000), wk = 0.0028818 k( 155) = ( 0.1702128 0.1775584 0.0000000), wk = 0.0028818 k( 156) = ( 0.1808511 0.1886558 0.0000000), wk = 0.0028818 k( 157) = ( 0.1914894 0.1997532 0.0000000), wk = 0.0028818 k( 158) = ( 0.2021277 0.2108506 0.0000000), wk = 0.0028818 k( 159) = ( 0.2127660 0.2219480 0.0000000), wk = 0.0028818 k( 160) = ( 0.2234043 0.2330454 0.0000000), wk = 0.0028818 k( 161) = ( 0.2340425 0.2441428 0.0000000), wk = 0.0028818 k( 162) = ( 0.2446809 0.2552402 0.0000000), wk = 0.0028818 k( 163) = ( 0.2553191 0.2663376 0.0000000), wk = 0.0028818 k( 164) = ( 0.2659574 0.2774350 0.0000000), wk = 0.0028818 k( 165) = ( 0.2765957 0.2885324 0.0000000), wk = 0.0028818 k( 166) = ( 0.2872340 0.2996298 0.0000000), wk = 0.0028818 k( 167) = ( 0.2978723 0.3107272 0.0000000), wk = 0.0028818 k( 168) = ( 0.3085106 0.3218246 0.0000000), wk = 0.0028818 k( 169) = ( 0.3191489 0.3329220 0.0000000), wk = 0.0028818 k( 170) = ( 0.3297872 0.3440193 0.0000000), wk = 0.0028818 k( 171) = ( 0.3404255 0.3551167 0.0000000), wk = 0.0028818 k( 172) = ( 0.3510638 0.3662141 0.0000000), wk = 0.0028818 k( 173) = ( 0.3617021 0.3773115 0.0000000), wk = 0.0028818 k( 174) = ( 0.3723404 0.3884089 0.0000000), wk = 0.0028818 k( 175) = ( 0.3829787 0.3995063 0.0000000), wk = 0.0028818 k( 176) = ( 0.3936170 0.4106037 0.0000000), wk = 0.0028818 k( 177) = ( 0.4042553 0.4217011 0.0000000), wk = 0.0028818 k( 178) = ( 0.4148936 0.4327985 0.0000000), wk = 0.0028818 k( 179) = ( 0.4255319 0.4438959 0.0000000), wk = 0.0028818 k( 180) = ( 0.4361702 0.4549933 0.0000000), wk = 0.0028818 k( 181) = ( 0.4468085 0.4660907 0.0000000), wk = 0.0028818 k( 182) = ( 0.4574468 0.4771881 0.0000000), wk = 0.0028818 k( 183) = ( 0.4680851 0.4882855 0.0000000), wk = 0.0028818 k( 184) = ( 0.4787234 0.4993829 0.0000000), wk = 0.0028818 k( 185) = ( 0.4893617 0.5104803 0.0000000), wk = 0.0028818 k( 186) = ( 0.5000000 0.5215777 0.0000000), wk = 0.0028818 k( 187) = ( 0.5000000 0.5215777 0.0000000), wk = 0.0028818 k( 188) = ( 0.4924014 0.5288619 0.0105261), wk = 0.0028818 k( 189) = ( 0.4848029 0.5361461 0.0210521), wk = 0.0028818 k( 190) = ( 0.4772043 0.5434303 0.0315781), wk = 0.0028818 k( 191) = ( 0.4696058 0.5507145 0.0421042), wk = 0.0028818 k( 192) = ( 0.4620072 0.5579987 0.0526302), wk = 0.0028818 k( 193) = ( 0.4544087 0.5652829 0.0631563), wk = 0.0028818 k( 194) = ( 0.4468101 0.5725671 0.0736823), wk = 0.0028818 k( 195) = ( 0.4392116 0.5798514 0.0842084), wk = 0.0028818 k( 196) = ( 0.4316130 0.5871355 0.0947344), wk = 0.0028818 k( 197) = ( 0.4240144 0.5944198 0.1052605), wk = 0.0028818 k( 198) = ( 0.4164159 0.6017040 0.1157865), wk = 0.0028818 k( 199) = ( 0.4088173 0.6089882 0.1263126), wk = 0.0028818 k( 200) = ( 0.4012188 0.6162724 0.1368386), wk = 0.0028818 k( 201) = ( 0.3936202 0.6235566 0.1473647), wk = 0.0028818 k( 202) = ( 0.3860217 0.6308408 0.1578907), wk = 0.0028818 k( 203) = ( 0.3860217 0.6308408 0.1578907), wk = 0.0028818 k( 204) = ( 0.3727106 0.6263444 0.1643882), wk = 0.0028818 k( 205) = ( 0.3593995 0.6218480 0.1708856), wk = 0.0028818 k( 206) = ( 0.3460884 0.6173517 0.1773831), wk = 0.0028818 k( 207) = ( 0.3327773 0.6128553 0.1838806), wk = 0.0028818 k( 208) = ( 0.3194662 0.6083590 0.1903781), wk = 0.0028818 k( 209) = ( 0.3061551 0.6038626 0.1968755), wk = 0.0028818 k( 210) = ( 0.2928440 0.5993663 0.2033730), wk = 0.0028818 k( 211) = ( 0.2795329 0.5948699 0.2098705), wk = 0.0028818 k( 212) = ( 0.2662218 0.5903735 0.2163679), wk = 0.0028818 k( 213) = ( 0.2529107 0.5858772 0.2228654), wk = 0.0028818 k( 214) = ( 0.2395996 0.5813808 0.2293629), wk = 0.0028818 k( 215) = ( 0.2262886 0.5768845 0.2358603), wk = 0.0028818 k( 216) = ( 0.2129775 0.5723881 0.2423578), wk = 0.0028818 k( 217) = ( 0.1996664 0.5678917 0.2488553), wk = 0.0028818 k( 218) = ( 0.1863553 0.5633954 0.2553528), wk = 0.0028818 k( 219) = ( 0.1730442 0.5588990 0.2618502), wk = 0.0028818 k( 220) = ( 0.1597331 0.5544027 0.2683477), wk = 0.0028818 k( 221) = ( 0.1464220 0.5499063 0.2748452), wk = 0.0028818 k( 222) = ( 0.1331109 0.5454099 0.2813426), wk = 0.0028818 k( 223) = ( 0.1197998 0.5409136 0.2878401), wk = 0.0028818 k( 224) = ( 0.1064887 0.5364172 0.2943376), wk = 0.0028818 k( 225) = ( 0.0931776 0.5319209 0.3008351), wk = 0.0028818 k( 226) = ( 0.0798665 0.5274245 0.3073325), wk = 0.0028818 k( 227) = ( 0.0665555 0.5229281 0.3138300), wk = 0.0028818 k( 228) = ( 0.0532444 0.5184318 0.3203275), wk = 0.0028818 k( 229) = ( 0.0399333 0.5139354 0.3268249), wk = 0.0028818 k( 230) = ( 0.0266222 0.5094391 0.3333224), wk = 0.0028818 k( 231) = ( 0.0133111 0.5049427 0.3398199), wk = 0.0028818 k( 232) = ( 0.0000000 0.5004463 0.3463173), wk = 0.0028818 k( 233) = ( 0.0000000 0.5004463 0.3463173), wk = 0.0028818 k( 234) = ( 0.0078125 0.4929570 0.3571398), wk = 0.0028818 k( 235) = ( 0.0156250 0.4854677 0.3679622), wk = 0.0028818 k( 236) = ( 0.0234375 0.4779784 0.3787846), wk = 0.0028818 k( 237) = ( 0.0312500 0.4704892 0.3896070), wk = 0.0028818 k( 238) = ( 0.0390625 0.4629999 0.4004294), wk = 0.0028818 k( 239) = ( 0.0468750 0.4555106 0.4112518), wk = 0.0028818 k( 240) = ( 0.0546875 0.4480213 0.4220743), wk = 0.0028818 k( 241) = ( 0.0625000 0.4405320 0.4328967), wk = 0.0028818 k( 242) = ( 0.0703125 0.4330427 0.4437191), wk = 0.0028818 k( 243) = ( 0.0781250 0.4255534 0.4545415), wk = 0.0028818 k( 244) = ( 0.0859375 0.4180641 0.4653639), wk = 0.0028818 k( 245) = ( 0.0937500 0.4105748 0.4761864), wk = 0.0028818 k( 246) = ( 0.1015625 0.4030855 0.4870088), wk = 0.0028818 k( 247) = ( 0.1093750 0.3955962 0.4978312), wk = 0.0028818 k( 248) = ( 0.1171875 0.3881069 0.5086536), wk = 0.0028818 k( 249) = ( 0.1250000 0.3806176 0.5194760), wk = 0.0028818 k( 250) = ( 0.1328125 0.3731283 0.5302984), wk = 0.0028818 k( 251) = ( 0.1406250 0.3656390 0.5411209), wk = 0.0028818 k( 252) = ( 0.1484375 0.3581497 0.5519433), wk = 0.0028818 k( 253) = ( 0.1562500 0.3506604 0.5627657), wk = 0.0028818 k( 254) = ( 0.1640625 0.3431711 0.5735881), wk = 0.0028818 k( 255) = ( 0.1718750 0.3356818 0.5844105), wk = 0.0028818 k( 256) = ( 0.1796875 0.3281925 0.5952329), wk = 0.0028818 k( 257) = ( 0.1875000 0.3207032 0.6060554), wk = 0.0028818 k( 258) = ( 0.1953125 0.3132139 0.6168778), wk = 0.0028818 k( 259) = ( 0.2031250 0.3057246 0.6277002), wk = 0.0028818 k( 260) = ( 0.2109375 0.2982353 0.6385226), wk = 0.0028818 k( 261) = ( 0.2187500 0.2907460 0.6493450), wk = 0.0028818 k( 262) = ( 0.2265625 0.2832568 0.6601674), wk = 0.0028818 k( 263) = ( 0.2343750 0.2757675 0.6709899), wk = 0.0028818 k( 264) = ( 0.2421875 0.2682782 0.6818123), wk = 0.0028818 k( 265) = ( 0.2500000 0.2607889 0.6926347), wk = 0.0028818 k( 266) = ( 0.2500000 0.2607889 0.6926347), wk = 0.0028818 k( 267) = ( 0.2573529 0.2684591 0.6815508), wk = 0.0028818 k( 268) = ( 0.2647059 0.2761294 0.6704669), wk = 0.0028818 k( 269) = ( 0.2720588 0.2837996 0.6593829), wk = 0.0028818 k( 270) = ( 0.2794118 0.2914699 0.6482990), wk = 0.0028818 k( 271) = ( 0.2867647 0.2991402 0.6372151), wk = 0.0028818 k( 272) = ( 0.2941177 0.3068104 0.6261312), wk = 0.0028818 k( 273) = ( 0.3014706 0.3144807 0.6150473), wk = 0.0028818 k( 274) = ( 0.3088235 0.3221509 0.6039633), wk = 0.0028818 k( 275) = ( 0.3161765 0.3298212 0.5928794), wk = 0.0028818 k( 276) = ( 0.3235294 0.3374915 0.5817955), wk = 0.0028818 k( 277) = ( 0.3308823 0.3451617 0.5707116), wk = 0.0028818 k( 278) = ( 0.3382353 0.3528320 0.5596276), wk = 0.0028818 k( 279) = ( 0.3455882 0.3605023 0.5485437), wk = 0.0028818 k( 280) = ( 0.3529412 0.3681725 0.5374598), wk = 0.0028818 k( 281) = ( 0.3602941 0.3758428 0.5263759), wk = 0.0028818 k( 282) = ( 0.3676471 0.3835130 0.5152920), wk = 0.0028818 k( 283) = ( 0.3750000 0.3911833 0.5042081), wk = 0.0028818 k( 284) = ( 0.3823529 0.3988536 0.4931241), wk = 0.0028818 k( 285) = ( 0.3897059 0.4065238 0.4820402), wk = 0.0028818 k( 286) = ( 0.3970588 0.4141941 0.4709563), wk = 0.0028818 k( 287) = ( 0.4044118 0.4218643 0.4598724), wk = 0.0028818 k( 288) = ( 0.4117647 0.4295346 0.4487885), wk = 0.0028818 k( 289) = ( 0.4191177 0.4372049 0.4377045), wk = 0.0028818 k( 290) = ( 0.4264706 0.4448751 0.4266206), wk = 0.0028818 k( 291) = ( 0.4338235 0.4525454 0.4155367), wk = 0.0028818 k( 292) = ( 0.4411765 0.4602156 0.4044528), wk = 0.0028818 k( 293) = ( 0.4485294 0.4678859 0.3933688), wk = 0.0028818 k( 294) = ( 0.4558823 0.4755562 0.3822849), wk = 0.0028818 k( 295) = ( 0.4632353 0.4832264 0.3712010), wk = 0.0028818 k( 296) = ( 0.4705882 0.4908967 0.3601171), wk = 0.0028818 k( 297) = ( 0.4779412 0.4985669 0.3490332), wk = 0.0028818 k( 298) = ( 0.4852941 0.5062372 0.3379493), wk = 0.0028818 k( 299) = ( 0.4926471 0.5139075 0.3268653), wk = 0.0028818 k( 300) = ( 0.5000000 0.5215777 0.3157814), wk = 0.0028818 k( 301) = ( 0.5000000 0.5215777 0.3157814), wk = 0.0028818 k( 302) = ( 0.5000000 0.5215777 0.3007442), wk = 0.0028818 k( 303) = ( 0.5000000 0.5215777 0.2857070), wk = 0.0028818 k( 304) = ( 0.5000000 0.5215777 0.2706698), wk = 0.0028818 k( 305) = ( 0.5000000 0.5215777 0.2556326), wk = 0.0028818 k( 306) = ( 0.5000000 0.5215777 0.2405954), wk = 0.0028818 k( 307) = ( 0.5000000 0.5215777 0.2255582), wk = 0.0028818 k( 308) = ( 0.5000000 0.5215777 0.2105209), wk = 0.0028818 k( 309) = ( 0.5000000 0.5215777 0.1954837), wk = 0.0028818 k( 310) = ( 0.5000000 0.5215777 0.1804465), wk = 0.0028818 k( 311) = ( 0.5000000 0.5215777 0.1654093), wk = 0.0028818 k( 312) = ( 0.5000000 0.5215777 0.1503721), wk = 0.0028818 k( 313) = ( 0.5000000 0.5215777 0.1353349), wk = 0.0028818 k( 314) = ( 0.5000000 0.5215777 0.1202977), wk = 0.0028818 k( 315) = ( 0.5000000 0.5215777 0.1052605), wk = 0.0028818 k( 316) = ( 0.5000000 0.5215777 0.0902233), wk = 0.0028818 k( 317) = ( 0.5000000 0.5215777 0.0751861), wk = 0.0028818 k( 318) = ( 0.5000000 0.5215777 0.0601488), wk = 0.0028818 k( 319) = ( 0.5000000 0.5215777 0.0451116), wk = 0.0028818 k( 320) = ( 0.5000000 0.5215777 0.0300744), wk = 0.0028818 k( 321) = ( 0.5000000 0.5215777 0.0150372), wk = 0.0028818 k( 322) = ( 0.5000000 0.5215777 0.0000000), wk = 0.0028818 k( 323) = ( 0.0000000 0.0000000 0.6926347), wk = 0.0028818 k( 324) = ( 0.0104167 0.0108662 0.6926347), wk = 0.0028818 k( 325) = ( 0.0208333 0.0217324 0.6926347), wk = 0.0028818 k( 326) = ( 0.0312500 0.0325986 0.6926347), wk = 0.0028818 k( 327) = ( 0.0416667 0.0434648 0.6926347), wk = 0.0028818 k( 328) = ( 0.0520833 0.0543310 0.6926347), wk = 0.0028818 k( 329) = ( 0.0625000 0.0651972 0.6926347), wk = 0.0028818 k( 330) = ( 0.0729167 0.0760634 0.6926347), wk = 0.0028818 k( 331) = ( 0.0833333 0.0869296 0.6926347), wk = 0.0028818 k( 332) = ( 0.0937500 0.0977958 0.6926347), wk = 0.0028818 k( 333) = ( 0.1041667 0.1086620 0.6926347), wk = 0.0028818 k( 334) = ( 0.1145833 0.1195282 0.6926347), wk = 0.0028818 k( 335) = ( 0.1250000 0.1303944 0.6926347), wk = 0.0028818 k( 336) = ( 0.1354167 0.1412606 0.6926347), wk = 0.0028818 k( 337) = ( 0.1458333 0.1521268 0.6926347), wk = 0.0028818 k( 338) = ( 0.1562500 0.1629930 0.6926347), wk = 0.0028818 k( 339) = ( 0.1666667 0.1738592 0.6926347), wk = 0.0028818 k( 340) = ( 0.1770833 0.1847254 0.6926347), wk = 0.0028818 k( 341) = ( 0.1875000 0.1955916 0.6926347), wk = 0.0028818 k( 342) = ( 0.1979167 0.2064579 0.6926347), wk = 0.0028818 k( 343) = ( 0.2083333 0.2173240 0.6926347), wk = 0.0028818 k( 344) = ( 0.2187500 0.2281903 0.6926347), wk = 0.0028818 k( 345) = ( 0.2291667 0.2390565 0.6926347), wk = 0.0028818 k( 346) = ( 0.2395833 0.2499227 0.6926347), wk = 0.0028818 k( 347) = ( 0.2500000 0.2607889 0.6926347), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 48) = ( -0.0108817 0.0108817 0.5000000), wk = 0.0028818 k( 49) = ( -0.0217635 0.0217635 0.5000000), wk = 0.0028818 k( 50) = ( -0.0326452 0.0326452 0.5000000), wk = 0.0028818 k( 51) = ( -0.0435269 0.0435269 0.5000000), wk = 0.0028818 k( 52) = ( -0.0544087 0.0544087 0.5000000), wk = 0.0028818 k( 53) = ( -0.0652904 0.0652904 0.5000000), wk = 0.0028818 k( 54) = ( -0.0761721 0.0761721 0.5000000), wk = 0.0028818 k( 55) = ( -0.0870539 0.0870539 0.5000000), wk = 0.0028818 k( 56) = ( -0.0979356 0.0979356 0.5000000), wk = 0.0028818 k( 57) = ( -0.1088173 0.1088173 0.5000000), wk = 0.0028818 k( 58) = ( -0.1196991 0.1196991 0.5000000), wk = 0.0028818 k( 59) = ( -0.1305808 0.1305808 0.5000000), wk = 0.0028818 k( 60) = ( -0.1414625 0.1414625 0.5000000), wk = 0.0028818 k( 61) = ( -0.1523443 0.1523443 0.5000000), wk = 0.0028818 k( 62) = ( -0.1632260 0.1632260 0.5000000), wk = 0.0028818 k( 63) = ( -0.1741077 0.1741077 0.5000000), wk = 0.0028818 k( 64) = ( -0.1849895 0.1849895 0.5000000), wk = 0.0028818 k( 65) = ( -0.1958712 0.1958712 0.5000000), wk = 0.0028818 k( 66) = ( -0.2067529 0.2067529 0.5000000), wk = 0.0028818 k( 67) = ( -0.2176347 0.2176347 0.5000000), wk = 0.0028818 k( 68) = ( -0.2285164 0.2285164 0.5000000), wk = 0.0028818 k( 69) = ( -0.2393981 0.2393981 0.5000000), wk = 0.0028818 k( 70) = ( -0.2502799 0.2502799 0.5000000), wk = 0.0028818 k( 71) = ( -0.2611616 0.2611616 0.5000000), wk = 0.0028818 k( 72) = ( -0.2720433 0.2720433 0.5000000), wk = 0.0028818 k( 73) = ( -0.2720433 0.2720433 0.5000000), wk = 0.0028818 k( 74) = ( -0.2796419 0.2796419 0.4924014), wk = 0.0028818 k( 75) = ( -0.2872404 0.2872404 0.4848029), wk = 0.0028818 k( 76) = ( -0.2948390 0.2948390 0.4772043), wk = 0.0028818 k( 77) = ( -0.3024375 0.3024375 0.4696058), wk = 0.0028818 k( 78) = ( -0.3100361 0.3100361 0.4620072), wk = 0.0028818 k( 79) = ( -0.3176347 0.3176347 0.4544087), wk = 0.0028818 k( 80) = ( -0.3252332 0.3252332 0.4468101), wk = 0.0028818 k( 81) = ( -0.3328318 0.3328318 0.4392115), wk = 0.0028818 k( 82) = ( -0.3404303 0.3404303 0.4316130), wk = 0.0028818 k( 83) = ( -0.3480289 0.3480289 0.4240144), wk = 0.0028818 k( 84) = ( -0.3556274 0.3556274 0.4164159), wk = 0.0028818 k( 85) = ( -0.3632260 0.3632260 0.4088173), wk = 0.0028818 k( 86) = ( -0.3708245 0.3708245 0.4012188), wk = 0.0028818 k( 87) = ( -0.3784231 0.3784231 0.3936202), wk = 0.0028818 k( 88) = ( -0.3860217 0.3860217 0.3860217), wk = 0.0028818 k( 89) = ( -0.3860217 0.3860217 0.3860217), wk = 0.0028818 k( 90) = ( -0.3781437 0.3781437 0.3781437), wk = 0.0028818 k( 91) = ( -0.3702657 0.3702657 0.3702657), wk = 0.0028818 k( 92) = ( -0.3623877 0.3623877 0.3623877), wk = 0.0028818 k( 93) = ( -0.3545097 0.3545097 0.3545097), wk = 0.0028818 k( 94) = ( -0.3466317 0.3466317 0.3466317), wk = 0.0028818 k( 95) = ( -0.3387537 0.3387537 0.3387537), wk = 0.0028818 k( 96) = ( -0.3308757 0.3308757 0.3308757), wk = 0.0028818 k( 97) = ( -0.3229977 0.3229977 0.3229977), wk = 0.0028818 k( 98) = ( -0.3151197 0.3151197 0.3151197), wk = 0.0028818 k( 99) = ( -0.3072417 0.3072417 0.3072417), wk = 0.0028818 k( 100) = ( -0.2993637 0.2993637 0.2993637), wk = 0.0028818 k( 101) = ( -0.2914857 0.2914858 0.2914857), wk = 0.0028818 k( 102) = ( -0.2836077 0.2836077 0.2836077), wk = 0.0028818 k( 103) = ( -0.2757298 0.2757298 0.2757298), wk = 0.0028818 k( 104) = ( -0.2678518 0.2678518 0.2678518), wk = 0.0028818 k( 105) = ( -0.2599738 0.2599738 0.2599738), wk = 0.0028818 k( 106) = ( -0.2520958 0.2520958 0.2520958), wk = 0.0028818 k( 107) = ( -0.2442178 0.2442178 0.2442178), wk = 0.0028818 k( 108) = ( -0.2363398 0.2363398 0.2363398), wk = 0.0028818 k( 109) = ( -0.2284618 0.2284618 0.2284618), wk = 0.0028818 k( 110) = ( -0.2205838 0.2205838 0.2205838), wk = 0.0028818 k( 111) = ( -0.2127058 0.2127058 0.2127058), wk = 0.0028818 k( 112) = ( -0.2048278 0.2048278 0.2048278), wk = 0.0028818 k( 113) = ( -0.1969498 0.1969498 0.1969498), wk = 0.0028818 k( 114) = ( -0.1890718 0.1890718 0.1890718), wk = 0.0028818 k( 115) = ( -0.1811938 0.1811938 0.1811938), wk = 0.0028818 k( 116) = ( -0.1733158 0.1733158 0.1733158), wk = 0.0028818 k( 117) = ( -0.1654379 0.1654379 0.1654379), wk = 0.0028818 k( 118) = ( -0.1575599 0.1575599 0.1575599), wk = 0.0028818 k( 119) = ( -0.1496819 0.1496819 0.1496819), wk = 0.0028818 k( 120) = ( -0.1418039 0.1418039 0.1418039), wk = 0.0028818 k( 121) = ( -0.1339259 0.1339259 0.1339259), wk = 0.0028818 k( 122) = ( -0.1260479 0.1260479 0.1260479), wk = 0.0028818 k( 123) = ( -0.1181699 0.1181699 0.1181699), wk = 0.0028818 k( 124) = ( -0.1102919 0.1102919 0.1102919), wk = 0.0028818 k( 125) = ( -0.1024139 0.1024139 0.1024139), wk = 0.0028818 k( 126) = ( -0.0945359 0.0945359 0.0945359), wk = 0.0028818 k( 127) = ( -0.0866579 0.0866579 0.0866579), wk = 0.0028818 k( 128) = ( -0.0787799 0.0787799 0.0787799), wk = 0.0028818 k( 129) = ( -0.0709019 0.0709019 0.0709019), wk = 0.0028818 k( 130) = ( -0.0630239 0.0630239 0.0630239), wk = 0.0028818 k( 131) = ( -0.0551459 0.0551459 0.0551459), wk = 0.0028818 k( 132) = ( -0.0472680 0.0472680 0.0472680), wk = 0.0028818 k( 133) = ( -0.0393900 0.0393900 0.0393900), wk = 0.0028818 k( 134) = ( -0.0315120 0.0315120 0.0315120), wk = 0.0028818 k( 135) = ( -0.0236340 0.0236340 0.0236340), wk = 0.0028818 k( 136) = ( -0.0157560 0.0157560 0.0157560), wk = 0.0028818 k( 137) = ( -0.0078780 0.0078780 0.0078780), wk = 0.0028818 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 140) = ( 0.0106383 0.0106383 -0.0106383), wk = 0.0028818 k( 141) = ( 0.0212766 0.0212766 -0.0212766), wk = 0.0028818 k( 142) = ( 0.0319149 0.0319149 -0.0319149), wk = 0.0028818 k( 143) = ( 0.0425532 0.0425532 -0.0425532), wk = 0.0028818 k( 144) = ( 0.0531915 0.0531915 -0.0531915), wk = 0.0028818 k( 145) = ( 0.0638298 0.0638298 -0.0638298), wk = 0.0028818 k( 146) = ( 0.0744681 0.0744681 -0.0744681), wk = 0.0028818 k( 147) = ( 0.0851064 0.0851064 -0.0851064), wk = 0.0028818 k( 148) = ( 0.0957447 0.0957447 -0.0957447), wk = 0.0028818 k( 149) = ( 0.1063830 0.1063830 -0.1063830), wk = 0.0028818 k( 150) = ( 0.1170213 0.1170213 -0.1170213), wk = 0.0028818 k( 151) = ( 0.1276596 0.1276596 -0.1276596), wk = 0.0028818 k( 152) = ( 0.1382979 0.1382979 -0.1382979), wk = 0.0028818 k( 153) = ( 0.1489362 0.1489362 -0.1489362), wk = 0.0028818 k( 154) = ( 0.1595745 0.1595745 -0.1595745), wk = 0.0028818 k( 155) = ( 0.1702128 0.1702128 -0.1702128), wk = 0.0028818 k( 156) = ( 0.1808511 0.1808511 -0.1808511), wk = 0.0028818 k( 157) = ( 0.1914894 0.1914894 -0.1914894), wk = 0.0028818 k( 158) = ( 0.2021277 0.2021277 -0.2021277), wk = 0.0028818 k( 159) = ( 0.2127660 0.2127660 -0.2127660), wk = 0.0028818 k( 160) = ( 0.2234043 0.2234043 -0.2234043), wk = 0.0028818 k( 161) = ( 0.2340425 0.2340425 -0.2340425), wk = 0.0028818 k( 162) = ( 0.2446809 0.2446808 -0.2446809), wk = 0.0028818 k( 163) = ( 0.2553191 0.2553191 -0.2553191), wk = 0.0028818 k( 164) = ( 0.2659574 0.2659574 -0.2659574), wk = 0.0028818 k( 165) = ( 0.2765957 0.2765957 -0.2765957), wk = 0.0028818 k( 166) = ( 0.2872340 0.2872340 -0.2872340), wk = 0.0028818 k( 167) = ( 0.2978723 0.2978723 -0.2978723), wk = 0.0028818 k( 168) = ( 0.3085106 0.3085106 -0.3085106), wk = 0.0028818 k( 169) = ( 0.3191489 0.3191489 -0.3191489), wk = 0.0028818 k( 170) = ( 0.3297872 0.3297872 -0.3297872), wk = 0.0028818 k( 171) = ( 0.3404255 0.3404255 -0.3404255), wk = 0.0028818 k( 172) = ( 0.3510638 0.3510638 -0.3510638), wk = 0.0028818 k( 173) = ( 0.3617021 0.3617021 -0.3617021), wk = 0.0028818 k( 174) = ( 0.3723404 0.3723404 -0.3723404), wk = 0.0028818 k( 175) = ( 0.3829787 0.3829787 -0.3829787), wk = 0.0028818 k( 176) = ( 0.3936170 0.3936170 -0.3936170), wk = 0.0028818 k( 177) = ( 0.4042553 0.4042553 -0.4042553), wk = 0.0028818 k( 178) = ( 0.4148936 0.4148936 -0.4148936), wk = 0.0028818 k( 179) = ( 0.4255319 0.4255319 -0.4255319), wk = 0.0028818 k( 180) = ( 0.4361702 0.4361702 -0.4361702), wk = 0.0028818 k( 181) = ( 0.4468085 0.4468085 -0.4468085), wk = 0.0028818 k( 182) = ( 0.4574468 0.4574468 -0.4574468), wk = 0.0028818 k( 183) = ( 0.4680851 0.4680851 -0.4680851), wk = 0.0028818 k( 184) = ( 0.4787234 0.4787234 -0.4787234), wk = 0.0028818 k( 185) = ( 0.4893617 0.4893617 -0.4893617), wk = 0.0028818 k( 186) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 187) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 188) = ( 0.4924014 0.5075986 -0.4924014), wk = 0.0028818 k( 189) = ( 0.4848029 0.5151971 -0.4848029), wk = 0.0028818 k( 190) = ( 0.4772043 0.5227957 -0.4772043), wk = 0.0028818 k( 191) = ( 0.4696058 0.5303942 -0.4696058), wk = 0.0028818 k( 192) = ( 0.4620072 0.5379928 -0.4620072), wk = 0.0028818 k( 193) = ( 0.4544087 0.5455913 -0.4544087), wk = 0.0028818 k( 194) = ( 0.4468101 0.5531899 -0.4468101), wk = 0.0028818 k( 195) = ( 0.4392116 0.5607884 -0.4392115), wk = 0.0028818 k( 196) = ( 0.4316130 0.5683870 -0.4316130), wk = 0.0028818 k( 197) = ( 0.4240144 0.5759856 -0.4240144), wk = 0.0028818 k( 198) = ( 0.4164159 0.5835841 -0.4164159), wk = 0.0028818 k( 199) = ( 0.4088173 0.5911827 -0.4088173), wk = 0.0028818 k( 200) = ( 0.4012188 0.5987812 -0.4012188), wk = 0.0028818 k( 201) = ( 0.3936202 0.6063798 -0.3936202), wk = 0.0028818 k( 202) = ( 0.3860217 0.6139783 -0.3860217), wk = 0.0028818 k( 203) = ( 0.3860217 0.6139783 -0.3860217), wk = 0.0028818 k( 204) = ( 0.3727106 0.6100480 -0.3727106), wk = 0.0028818 k( 205) = ( 0.3593995 0.6061178 -0.3593995), wk = 0.0028818 k( 206) = ( 0.3460884 0.6021875 -0.3460884), wk = 0.0028818 k( 207) = ( 0.3327773 0.5982572 -0.3327773), wk = 0.0028818 k( 208) = ( 0.3194662 0.5943269 -0.3194662), wk = 0.0028818 k( 209) = ( 0.3061551 0.5903966 -0.3061551), wk = 0.0028818 k( 210) = ( 0.2928440 0.5864663 -0.2928440), wk = 0.0028818 k( 211) = ( 0.2795329 0.5825360 -0.2795329), wk = 0.0028818 k( 212) = ( 0.2662218 0.5786057 -0.2662218), wk = 0.0028818 k( 213) = ( 0.2529107 0.5746755 -0.2529107), wk = 0.0028818 k( 214) = ( 0.2395996 0.5707452 -0.2395996), wk = 0.0028818 k( 215) = ( 0.2262886 0.5668149 -0.2262886), wk = 0.0028818 k( 216) = ( 0.2129775 0.5628846 -0.2129775), wk = 0.0028818 k( 217) = ( 0.1996664 0.5589543 -0.1996664), wk = 0.0028818 k( 218) = ( 0.1863553 0.5550240 -0.1863553), wk = 0.0028818 k( 219) = ( 0.1730442 0.5510937 -0.1730442), wk = 0.0028818 k( 220) = ( 0.1597331 0.5471634 -0.1597331), wk = 0.0028818 k( 221) = ( 0.1464220 0.5432332 -0.1464220), wk = 0.0028818 k( 222) = ( 0.1331109 0.5393029 -0.1331109), wk = 0.0028818 k( 223) = ( 0.1197998 0.5353726 -0.1197998), wk = 0.0028818 k( 224) = ( 0.1064887 0.5314423 -0.1064887), wk = 0.0028818 k( 225) = ( 0.0931776 0.5275120 -0.0931776), wk = 0.0028818 k( 226) = ( 0.0798665 0.5235817 -0.0798665), wk = 0.0028818 k( 227) = ( 0.0665555 0.5196514 -0.0665555), wk = 0.0028818 k( 228) = ( 0.0532444 0.5157211 -0.0532444), wk = 0.0028818 k( 229) = ( 0.0399333 0.5117909 -0.0399333), wk = 0.0028818 k( 230) = ( 0.0266222 0.5078606 -0.0266222), wk = 0.0028818 k( 231) = ( 0.0133111 0.5039303 -0.0133111), wk = 0.0028818 k( 232) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 234) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0028818 k( 235) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0028818 k( 236) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0028818 k( 237) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0028818 k( 238) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0028818 k( 239) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0028818 k( 240) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0028818 k( 241) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0028818 k( 242) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0028818 k( 243) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0028818 k( 244) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0028818 k( 245) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0028818 k( 246) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0028818 k( 247) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0028818 k( 248) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0028818 k( 249) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028818 k( 250) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0028818 k( 251) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0028818 k( 252) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0028818 k( 253) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0028818 k( 254) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0028818 k( 255) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0028818 k( 256) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0028818 k( 257) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0028818 k( 258) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0028818 k( 259) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0028818 k( 260) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0028818 k( 261) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0028818 k( 262) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0028818 k( 263) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0028818 k( 264) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0028818 k( 265) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 267) = ( 0.2573529 0.2573529 0.2346458), wk = 0.0028818 k( 268) = ( 0.2647059 0.2647059 0.2192916), wk = 0.0028818 k( 269) = ( 0.2720588 0.2720588 0.2039373), wk = 0.0028818 k( 270) = ( 0.2794118 0.2794118 0.1885831), wk = 0.0028818 k( 271) = ( 0.2867647 0.2867647 0.1732289), wk = 0.0028818 k( 272) = ( 0.2941177 0.2941176 0.1578747), wk = 0.0028818 k( 273) = ( 0.3014706 0.3014706 0.1425205), wk = 0.0028818 k( 274) = ( 0.3088235 0.3088235 0.1271663), wk = 0.0028818 k( 275) = ( 0.3161765 0.3161765 0.1118121), wk = 0.0028818 k( 276) = ( 0.3235294 0.3235294 0.0964579), wk = 0.0028818 k( 277) = ( 0.3308823 0.3308823 0.0811036), wk = 0.0028818 k( 278) = ( 0.3382353 0.3382353 0.0657494), wk = 0.0028818 k( 279) = ( 0.3455882 0.3455882 0.0503952), wk = 0.0028818 k( 280) = ( 0.3529412 0.3529412 0.0350410), wk = 0.0028818 k( 281) = ( 0.3602941 0.3602941 0.0196868), wk = 0.0028818 k( 282) = ( 0.3676471 0.3676471 0.0043325), wk = 0.0028818 k( 283) = ( 0.3750000 0.3750000 -0.0110217), wk = 0.0028818 k( 284) = ( 0.3823529 0.3823529 -0.0263759), wk = 0.0028818 k( 285) = ( 0.3897059 0.3897059 -0.0417301), wk = 0.0028818 k( 286) = ( 0.3970588 0.3970588 -0.0570843), wk = 0.0028818 k( 287) = ( 0.4044118 0.4044118 -0.0724385), wk = 0.0028818 k( 288) = ( 0.4117647 0.4117647 -0.0877927), wk = 0.0028818 k( 289) = ( 0.4191177 0.4191176 -0.1031470), wk = 0.0028818 k( 290) = ( 0.4264706 0.4264706 -0.1185012), wk = 0.0028818 k( 291) = ( 0.4338235 0.4338235 -0.1338554), wk = 0.0028818 k( 292) = ( 0.4411765 0.4411765 -0.1492096), wk = 0.0028818 k( 293) = ( 0.4485294 0.4485294 -0.1645638), wk = 0.0028818 k( 294) = ( 0.4558823 0.4558823 -0.1799180), wk = 0.0028818 k( 295) = ( 0.4632353 0.4632353 -0.1952722), wk = 0.0028818 k( 296) = ( 0.4705882 0.4705882 -0.2106265), wk = 0.0028818 k( 297) = ( 0.4779412 0.4779412 -0.2259807), wk = 0.0028818 k( 298) = ( 0.4852941 0.4852941 -0.2413349), wk = 0.0028818 k( 299) = ( 0.4926471 0.4926471 -0.2566891), wk = 0.0028818 k( 300) = ( 0.5000000 0.5000000 -0.2720433), wk = 0.0028818 k( 301) = ( 0.5000000 0.5000000 -0.2720433), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 -0.2828984), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 -0.2937535), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 -0.3046086), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 -0.3154636), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 -0.3263187), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 -0.3371738), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 -0.3480289), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 -0.3588840), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 -0.3697390), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 -0.3805941), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 -0.3914492), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 -0.4023043), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 -0.4131594), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 -0.4240144), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 -0.4348695), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 -0.4457246), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 -0.4565797), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 -0.4674348), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 -0.4782898), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 -0.4891449), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 324) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0028818 k( 325) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0028818 k( 326) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028818 k( 327) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0028818 k( 328) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0028818 k( 329) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028818 k( 330) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0028818 k( 331) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0028818 k( 332) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028818 k( 333) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0028818 k( 334) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0028818 k( 335) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028818 k( 336) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0028818 k( 337) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0028818 k( 338) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028818 k( 339) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0028818 k( 340) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0028818 k( 341) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028818 k( 342) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0028818 k( 343) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0028818 k( 344) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028818 k( 345) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0028818 k( 346) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0028818 k( 347) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 Dense grid: 55533 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 24547 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 144, 50) NL pseudopotentials 0.14 Mb ( 72, 124) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1156) G-vector shells 0.00 Mb ( 561) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 144, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.19 Mb ( 124, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AgClO4.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 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 46.5 secs Computing kpt #: 3 total cpu time spent up to now is 48.5 secs Computing kpt #: 4 total cpu time spent up to now is 50.5 secs Computing kpt #: 5 total cpu time spent up to now is 52.5 secs Computing kpt #: 6 total cpu time spent up to now is 54.6 secs Computing kpt #: 7 total cpu time spent up to now is 57.0 secs Computing kpt #: 8 total cpu time spent up to now is 59.2 secs Computing kpt #: 9 total cpu time spent up to now is 61.3 secs Computing kpt #: 10 total cpu time spent up to now is 63.4 secs Computing kpt #: 11 total cpu time spent up to now is 65.5 secs Computing kpt #: 12 total cpu time spent up to now is 67.7 secs Computing kpt #: 13 total cpu time spent up to now is 69.9 secs Computing kpt #: 14 total cpu time spent up to now is 72.1 secs Computing kpt #: 15 total cpu time spent up to now is 74.3 secs Computing kpt #: 16 total cpu time spent up to now is 76.3 secs Computing kpt #: 17 total cpu time spent up to now is 78.5 secs Computing kpt #: 18 total cpu time spent up to now is 80.7 secs Computing kpt #: 19 total cpu time spent up to now is 83.5 secs Computing kpt #: 20 total cpu time spent up to now is 86.2 secs Computing kpt #: 21 total cpu time spent up to now is 88.3 secs Computing kpt #: 22 total cpu time spent up to now is 91.2 secs Computing kpt #: 23 total cpu time spent up to now is 93.5 secs Computing kpt #: 24 total cpu time spent up to now is 95.6 secs Computing kpt #: 25 total cpu time spent up to now is 98.0 secs Computing kpt #: 26 total cpu time spent up to now is 100.2 secs Computing kpt #: 27 total cpu time spent up to now is 102.5 secs Computing kpt #: 28 total cpu time spent up to now is 104.4 secs Computing kpt #: 29 total cpu time spent up to now is 106.5 secs Computing kpt #: 30 total cpu time spent up to now is 108.9 secs Computing kpt #: 31 total cpu time spent up to now is 111.5 secs Computing kpt #: 32 total cpu time spent up to now is 113.3 secs Computing kpt #: 33 total cpu time spent up to now is 115.2 secs Computing kpt #: 34 total cpu time spent up to now is 117.1 secs Computing kpt #: 35 total cpu time spent up to now is 119.1 secs Computing kpt #: 36 total cpu time spent up to now is 121.2 secs Computing kpt #: 37 total cpu time spent up to now is 123.6 secs Computing kpt #: 38 total cpu time spent up to now is 125.8 secs Computing kpt #: 39 total cpu time spent up to now is 128.1 secs Computing kpt #: 40 total cpu time spent up to now is 130.1 secs Computing kpt #: 41 total cpu time spent up to now is 131.8 secs Computing kpt #: 42 total cpu time spent up to now is 133.7 secs Computing kpt #: 43 total cpu time spent up to now is 135.7 secs Computing kpt #: 44 total cpu time spent up to now is 137.3 secs Computing kpt #: 45 total cpu time spent up to now is 139.0 secs Computing kpt #: 46 total cpu time spent up to now is 140.7 secs Computing kpt #: 47 total cpu time spent up to now is 142.3 secs Computing kpt #: 48 total cpu time spent up to now is 144.0 secs Computing kpt #: 49 total cpu time spent up to now is 145.8 secs Computing kpt #: 50 total cpu time spent up to now is 147.5 secs Computing kpt #: 51 total cpu time spent up to now is 149.1 secs Computing kpt #: 52 total cpu time spent up to now is 150.8 secs Computing kpt #: 53 total cpu time spent up to now is 152.5 secs Computing kpt #: 54 total cpu time spent up to now is 154.2 secs Computing kpt #: 55 total cpu time spent up to now is 155.8 secs Computing kpt #: 56 total cpu time spent up to now is 157.4 secs Computing kpt #: 57 total cpu time spent up to now is 159.1 secs Computing kpt #: 58 total cpu time spent up to now is 160.7 secs Computing kpt #: 59 total cpu time spent up to now is 162.3 secs Computing kpt #: 60 total cpu time spent up to now is 163.9 secs Computing kpt #: 61 total cpu time spent up to now is 165.7 secs Computing kpt #: 62 total cpu time spent up to now is 167.5 secs Computing kpt #: 63 total cpu time spent up to now is 169.4 secs Computing kpt #: 64 total cpu time spent up to now is 171.1 secs Computing kpt #: 65 total cpu time spent up to now is 172.8 secs Computing kpt #: 66 total cpu time spent up to now is 174.5 secs Computing kpt #: 67 total cpu time spent up to now is 176.3 secs Computing kpt #: 68 total cpu time spent up to now is 178.4 secs Computing kpt #: 69 total cpu time spent up to now is 180.4 secs Computing kpt #: 70 total cpu time spent up to now is 182.5 secs Computing kpt #: 71 total cpu time spent up to now is 184.4 secs Computing kpt #: 72 total cpu time spent up to now is 186.4 secs Computing kpt #: 73 total cpu time spent up to now is 188.6 secs Computing kpt #: 74 total cpu time spent up to now is 190.6 secs Computing kpt #: 75 total cpu time spent up to now is 192.6 secs Computing kpt #: 76 total cpu time spent up to now is 194.7 secs Computing kpt #: 77 total cpu time spent up to now is 196.7 secs Computing kpt #: 78 total cpu time spent up to now is 198.7 secs Computing kpt #: 79 total cpu time spent up to now is 200.9 secs Computing kpt #: 80 total cpu time spent up to now is 203.0 secs Computing kpt #: 81 total cpu time spent up to now is 205.2 secs Computing kpt #: 82 total cpu time spent up to now is 207.2 secs Computing kpt #: 83 total cpu time spent up to now is 209.2 secs Computing kpt #: 84 total cpu time spent up to now is 211.2 secs Computing kpt #: 85 total cpu time spent up to now is 213.2 secs Computing kpt #: 86 total cpu time spent up to now is 215.2 secs Computing kpt #: 87 total cpu time spent up to now is 217.2 secs Computing kpt #: 88 total cpu time spent up to now is 219.3 secs Computing kpt #: 89 total cpu time spent up to now is 221.3 secs Computing kpt #: 90 total cpu time spent up to now is 223.4 secs Computing kpt #: 91 total cpu time spent up to now is 225.5 secs Computing kpt #: 92 total cpu time spent up to now is 227.5 secs Computing kpt #: 93 total cpu time spent up to now is 229.5 secs Computing kpt #: 94 total cpu time spent up to now is 231.6 secs Computing kpt #: 95 total cpu time spent up to now is 233.6 secs Computing kpt #: 96 total cpu time spent up to now is 235.7 secs Computing kpt #: 97 total cpu time spent up to now is 237.7 secs Computing kpt #: 98 total cpu time spent up to now is 239.8 secs Computing kpt #: 99 total cpu time spent up to now is 241.8 secs Computing kpt #: 100 total cpu time spent up to now is 244.1 secs Computing kpt #: 101 total cpu time spent up to now is 246.1 secs Computing kpt #: 102 total cpu time spent up to now is 248.3 secs Computing kpt #: 103 total cpu time spent up to now is 250.4 secs Computing kpt #: 104 total cpu time spent up to now is 252.4 secs Computing kpt #: 105 total cpu time spent up to now is 254.7 secs Computing kpt #: 106 total cpu time spent up to now is 256.7 secs Computing kpt #: 107 total cpu time spent up to now is 258.8 secs Computing kpt #: 108 total cpu time spent up to now is 260.8 secs Computing kpt #: 109 total cpu time spent up to now is 262.9 secs Computing kpt #: 110 total cpu time spent up to now is 264.9 secs Computing kpt #: 111 total cpu time spent up to now is 266.9 secs Computing kpt #: 112 total cpu time spent up to now is 269.0 secs Computing kpt #: 113 total cpu time spent up to now is 271.1 secs Computing kpt #: 114 total cpu time spent up to now is 273.2 secs Computing kpt #: 115 total cpu time spent up to now is 275.3 secs Computing kpt #: 116 total cpu time spent up to now is 277.4 secs Computing kpt #: 117 total cpu time spent up to now is 279.5 secs Computing kpt #: 118 total cpu time spent up to now is 281.6 secs Computing kpt #: 119 total cpu time spent up to now is 283.8 secs Computing kpt #: 120 total cpu time spent up to now is 286.0 secs Computing kpt #: 121 total cpu time spent up to now is 288.0 secs Computing kpt #: 122 total cpu time spent up to now is 290.8 secs Computing kpt #: 123 total cpu time spent up to now is 292.9 secs Computing kpt #: 124 total cpu time spent up to now is 295.1 secs Computing kpt #: 125 total cpu time spent up to now is 297.2 secs Computing kpt #: 126 total cpu time spent up to now is 299.4 secs Computing kpt #: 127 total cpu time spent up to now is 301.6 secs Computing kpt #: 128 total cpu time spent up to now is 303.7 secs Computing kpt #: 129 total cpu time spent up to now is 306.0 secs Computing kpt #: 130 total cpu time spent up to now is 308.1 secs Computing kpt #: 131 total cpu time spent up to now is 310.2 secs Computing kpt #: 132 total cpu time spent up to now is 312.4 secs Computing kpt #: 133 total cpu time spent up to now is 314.9 secs Computing kpt #: 134 total cpu time spent up to now is 317.1 secs Computing kpt #: 135 total cpu time spent up to now is 319.1 secs Computing kpt #: 136 total cpu time spent up to now is 321.2 secs Computing kpt #: 137 total cpu time spent up to now is 323.3 secs Computing kpt #: 138 total cpu time spent up to now is 325.2 secs Computing kpt #: 139 total cpu time spent up to now is 327.5 secs Computing kpt #: 140 total cpu time spent up to now is 329.5 secs Computing kpt #: 141 total cpu time spent up to now is 331.3 secs Computing kpt #: 142 total cpu time spent up to now is 333.3 secs Computing kpt #: 143 total cpu time spent up to now is 335.2 secs Computing kpt #: 144 total cpu time spent up to now is 337.3 secs Computing kpt #: 145 total cpu time spent up to now is 339.7 secs Computing kpt #: 146 total cpu time spent up to now is 342.2 secs Computing kpt #: 147 total cpu time spent up to now is 344.4 secs Computing kpt #: 148 total cpu time spent up to now is 346.5 secs Computing kpt #: 149 total cpu time spent up to now is 348.5 secs Computing kpt #: 150 total cpu time spent up to now is 350.5 secs Computing kpt #: 151 total cpu time spent up to now is 352.5 secs Computing kpt #: 152 total cpu time spent up to now is 354.6 secs Computing kpt #: 153 total cpu time spent up to now is 356.7 secs Computing kpt #: 154 total cpu time spent up to now is 358.7 secs Computing kpt #: 155 total cpu time spent up to now is 360.7 secs Computing kpt #: 156 total cpu time spent up to now is 362.7 secs Computing kpt #: 157 total cpu time spent up to now is 364.8 secs Computing kpt #: 158 total cpu time spent up to now is 366.8 secs Computing kpt #: 159 total cpu time spent up to now is 368.9 secs Computing kpt #: 160 total cpu time spent up to now is 371.0 secs Computing kpt #: 161 total cpu time spent up to now is 373.1 secs Computing kpt #: 162 total cpu time spent up to now is 375.1 secs Computing kpt #: 163 total cpu time spent up to now is 377.1 secs Computing kpt #: 164 total cpu time spent up to now is 379.1 secs Computing kpt #: 165 total cpu time spent up to now is 381.1 secs Computing kpt #: 166 total cpu time spent up to now is 383.1 secs Computing kpt #: 167 total cpu time spent up to now is 385.0 secs Computing kpt #: 168 total cpu time spent up to now is 387.0 secs Computing kpt #: 169 total cpu time spent up to now is 389.0 secs Computing kpt #: 170 total cpu time spent up to now is 392.1 secs Computing kpt #: 171 total cpu time spent up to now is 395.1 secs Computing kpt #: 172 total cpu time spent up to now is 397.3 secs Computing kpt #: 173 total cpu time spent up to now is 399.3 secs Computing kpt #: 174 total cpu time spent up to now is 401.2 secs Computing kpt #: 175 total cpu time spent up to now is 403.2 secs Computing kpt #: 176 total cpu time spent up to now is 405.2 secs Computing kpt #: 177 total cpu time spent up to now is 407.2 secs Computing kpt #: 178 total cpu time spent up to now is 409.2 secs Computing kpt #: 179 total cpu time spent up to now is 411.7 secs Computing kpt #: 180 total cpu time spent up to now is 413.8 secs Computing kpt #: 181 total cpu time spent up to now is 415.9 secs Computing kpt #: 182 total cpu time spent up to now is 417.9 secs Computing kpt #: 183 total cpu time spent up to now is 420.0 secs Computing kpt #: 184 total cpu time spent up to now is 422.0 secs Computing kpt #: 185 total cpu time spent up to now is 424.0 secs Computing kpt #: 186 total cpu time spent up to now is 426.0 secs Computing kpt #: 187 total cpu time spent up to now is 428.0 secs Computing kpt #: 188 total cpu time spent up to now is 430.1 secs Computing kpt #: 189 total cpu time spent up to now is 432.2 secs Computing kpt #: 190 total cpu time spent up to now is 434.2 secs Computing kpt #: 191 total cpu time spent up to now is 436.2 secs Computing kpt #: 192 total cpu time spent up to now is 438.2 secs Computing kpt #: 193 total cpu time spent up to now is 440.3 secs Computing kpt #: 194 total cpu time spent up to now is 442.3 secs Computing kpt #: 195 total cpu time spent up to now is 444.2 secs Computing kpt #: 196 total cpu time spent up to now is 446.7 secs Computing kpt #: 197 total cpu time spent up to now is 448.7 secs Computing kpt #: 198 total cpu time spent up to now is 450.7 secs Computing kpt #: 199 total cpu time spent up to now is 452.8 secs Computing kpt #: 200 total cpu time spent up to now is 454.8 secs Computing kpt #: 201 total cpu time spent up to now is 456.9 secs Computing kpt #: 202 total cpu time spent up to now is 459.5 secs Computing kpt #: 203 total cpu time spent up to now is 461.7 secs Computing kpt #: 204 total cpu time spent up to now is 463.7 secs Computing kpt #: 205 total cpu time spent up to now is 465.8 secs Computing kpt #: 206 total cpu time spent up to now is 467.8 secs Computing kpt #: 207 total cpu time spent up to now is 469.7 secs Computing kpt #: 208 total cpu time spent up to now is 471.8 secs Computing kpt #: 209 total cpu time spent up to now is 473.7 secs Computing kpt #: 210 total cpu time spent up to now is 475.7 secs Computing kpt #: 211 total cpu time spent up to now is 477.9 secs Computing kpt #: 212 total cpu time spent up to now is 480.1 secs Computing kpt #: 213 total cpu time spent up to now is 482.2 secs Computing kpt #: 214 total cpu time spent up to now is 484.2 secs Computing kpt #: 215 total cpu time spent up to now is 486.2 secs Computing kpt #: 216 total cpu time spent up to now is 488.2 secs Computing kpt #: 217 total cpu time spent up to now is 490.3 secs Computing kpt #: 218 total cpu time spent up to now is 492.3 secs Computing kpt #: 219 total cpu time spent up to now is 494.4 secs Computing kpt #: 220 total cpu time spent up to now is 496.5 secs Computing kpt #: 221 total cpu time spent up to now is 498.5 secs Computing kpt #: 222 total cpu time spent up to now is 500.6 secs Computing kpt #: 223 total cpu time spent up to now is 502.6 secs Computing kpt #: 224 total cpu time spent up to now is 504.6 secs Computing kpt #: 225 total cpu time spent up to now is 506.6 secs Computing kpt #: 226 total cpu time spent up to now is 508.7 secs Computing kpt #: 227 total cpu time spent up to now is 510.7 secs Computing kpt #: 228 total cpu time spent up to now is 512.8 secs Computing kpt #: 229 total cpu time spent up to now is 514.9 secs Computing kpt #: 230 total cpu time spent up to now is 516.9 secs Computing kpt #: 231 total cpu time spent up to now is 518.9 secs Computing kpt #: 232 total cpu time spent up to now is 520.8 secs Computing kpt #: 233 total cpu time spent up to now is 522.7 secs Computing kpt #: 234 total cpu time spent up to now is 524.8 secs Computing kpt #: 235 total cpu time spent up to now is 526.9 secs Computing kpt #: 236 total cpu time spent up to now is 528.9 secs Computing kpt #: 237 total cpu time spent up to now is 530.9 secs Computing kpt #: 238 total cpu time spent up to now is 532.9 secs Computing kpt #: 239 total cpu time spent up to now is 534.9 secs Computing kpt #: 240 total cpu time spent up to now is 536.9 secs Computing kpt #: 241 total cpu time spent up to now is 538.9 secs Computing kpt #: 242 total cpu time spent up to now is 540.9 secs Computing kpt #: 243 total cpu time spent up to now is 543.0 secs Computing kpt #: 244 total cpu time spent up to now is 545.0 secs Computing kpt #: 245 total cpu time spent up to now is 547.1 secs Computing kpt #: 246 total cpu time spent up to now is 549.2 secs Computing kpt #: 247 total cpu time spent up to now is 551.2 secs Computing kpt #: 248 total cpu time spent up to now is 553.5 secs Computing kpt #: 249 total cpu time spent up to now is 555.4 secs Computing kpt #: 250 total cpu time spent up to now is 557.2 secs Computing kpt #: 251 total cpu time spent up to now is 559.4 secs Computing kpt #: 252 total cpu time spent up to now is 562.5 secs Computing kpt #: 253 total cpu time spent up to now is 564.4 secs Computing kpt #: 254 total cpu time spent up to now is 566.3 secs Computing kpt #: 255 total cpu time spent up to now is 568.2 secs Computing kpt #: 256 total cpu time spent up to now is 569.9 secs Computing kpt #: 257 total cpu time spent up to now is 571.6 secs Computing kpt #: 258 total cpu time spent up to now is 573.2 secs Computing kpt #: 259 total cpu time spent up to now is 574.9 secs Computing kpt #: 260 total cpu time spent up to now is 576.4 secs Computing kpt #: 261 total cpu time spent up to now is 578.1 secs Computing kpt #: 262 total cpu time spent up to now is 579.7 secs Computing kpt #: 263 total cpu time spent up to now is 581.3 secs Computing kpt #: 264 total cpu time spent up to now is 582.8 secs Computing kpt #: 265 total cpu time spent up to now is 584.6 secs Computing kpt #: 266 total cpu time spent up to now is 586.4 secs Computing kpt #: 267 total cpu time spent up to now is 587.8 secs Computing kpt #: 268 total cpu time spent up to now is 589.4 secs Computing kpt #: 269 total cpu time spent up to now is 591.0 secs Computing kpt #: 270 total cpu time spent up to now is 593.0 secs Computing kpt #: 271 total cpu time spent up to now is 594.6 secs Computing kpt #: 272 total cpu time spent up to now is 596.1 secs Computing kpt #: 273 total cpu time spent up to now is 597.9 secs Computing kpt #: 274 total cpu time spent up to now is 599.6 secs Computing kpt #: 275 total cpu time spent up to now is 601.5 secs Computing kpt #: 276 total cpu time spent up to now is 603.2 secs Computing kpt #: 277 total cpu time spent up to now is 605.0 secs Computing kpt #: 278 total cpu time spent up to now is 606.7 secs Computing kpt #: 279 total cpu time spent up to now is 608.6 secs Computing kpt #: 280 total cpu time spent up to now is 610.2 secs Computing kpt #: 281 total cpu time spent up to now is 612.0 secs Computing kpt #: 282 total cpu time spent up to now is 613.8 secs Computing kpt #: 283 total cpu time spent up to now is 615.5 secs Computing kpt #: 284 total cpu time spent up to now is 617.5 secs Computing kpt #: 285 total cpu time spent up to now is 619.4 secs Computing kpt #: 286 total cpu time spent up to now is 621.3 secs Computing kpt #: 287 total cpu time spent up to now is 623.3 secs Computing kpt #: 288 total cpu time spent up to now is 625.2 secs Computing kpt #: 289 total cpu time spent up to now is 627.5 secs Computing kpt #: 290 total cpu time spent up to now is 629.5 secs Computing kpt #: 291 total cpu time spent up to now is 631.4 secs Computing kpt #: 292 total cpu time spent up to now is 633.4 secs Computing kpt #: 293 total cpu time spent up to now is 635.4 secs Computing kpt #: 294 total cpu time spent up to now is 637.4 secs Computing kpt #: 295 total cpu time spent up to now is 639.3 secs Computing kpt #: 296 total cpu time spent up to now is 641.3 secs Computing kpt #: 297 total cpu time spent up to now is 643.3 secs Computing kpt #: 298 total cpu time spent up to now is 645.5 secs Computing kpt #: 299 total cpu time spent up to now is 647.6 secs Computing kpt #: 300 total cpu time spent up to now is 649.6 secs Computing kpt #: 301 total cpu time spent up to now is 651.7 secs Computing kpt #: 302 total cpu time spent up to now is 653.7 secs Computing kpt #: 303 total cpu time spent up to now is 655.7 secs Computing kpt #: 304 total cpu time spent up to now is 657.6 secs Computing kpt #: 305 total cpu time spent up to now is 659.6 secs Computing kpt #: 306 total cpu time spent up to now is 661.6 secs Computing kpt #: 307 total cpu time spent up to now is 663.8 secs Computing kpt #: 308 total cpu time spent up to now is 665.8 secs Computing kpt #: 309 total cpu time spent up to now is 668.0 secs Computing kpt #: 310 total cpu time spent up to now is 670.0 secs Computing kpt #: 311 total cpu time spent up to now is 672.0 secs Computing kpt #: 312 total cpu time spent up to now is 674.0 secs Computing kpt #: 313 total cpu time spent up to now is 676.0 secs Computing kpt #: 314 total cpu time spent up to now is 678.0 secs Computing kpt #: 315 total cpu time spent up to now is 680.0 secs Computing kpt #: 316 total cpu time spent up to now is 682.0 secs Computing kpt #: 317 total cpu time spent up to now is 684.1 secs Computing kpt #: 318 total cpu time spent up to now is 686.2 secs Computing kpt #: 319 total cpu time spent up to now is 688.2 secs Computing kpt #: 320 total cpu time spent up to now is 691.0 secs Computing kpt #: 321 total cpu time spent up to now is 694.0 secs Computing kpt #: 322 total cpu time spent up to now is 696.5 secs Computing kpt #: 323 total cpu time spent up to now is 698.1 secs Computing kpt #: 324 total cpu time spent up to now is 699.7 secs Computing kpt #: 325 total cpu time spent up to now is 701.3 secs Computing kpt #: 326 total cpu time spent up to now is 703.1 secs Computing kpt #: 327 total cpu time spent up to now is 704.7 secs Computing kpt #: 328 total cpu time spent up to now is 706.4 secs Computing kpt #: 329 total cpu time spent up to now is 707.9 secs Computing kpt #: 330 total cpu time spent up to now is 709.5 secs Computing kpt #: 331 total cpu time spent up to now is 711.2 secs Computing kpt #: 332 total cpu time spent up to now is 712.7 secs Computing kpt #: 333 total cpu time spent up to now is 714.3 secs Computing kpt #: 334 total cpu time spent up to now is 716.1 secs Computing kpt #: 335 total cpu time spent up to now is 717.7 secs Computing kpt #: 336 total cpu time spent up to now is 719.3 secs Computing kpt #: 337 total cpu time spent up to now is 720.8 secs Computing kpt #: 338 total cpu time spent up to now is 722.4 secs Computing kpt #: 339 total cpu time spent up to now is 723.9 secs Computing kpt #: 340 total cpu time spent up to now is 725.4 secs Computing kpt #: 341 total cpu time spent up to now is 727.0 secs Computing kpt #: 342 total cpu time spent up to now is 728.5 secs Computing kpt #: 343 total cpu time spent up to now is 730.0 secs Computing kpt #: 344 total cpu time spent up to now is 731.5 secs Computing kpt #: 345 total cpu time spent up to now is 733.0 secs Computing kpt #: 346 total cpu time spent up to now is 734.9 secs Computing kpt #: 347 total cpu time spent up to now is 736.7 secs ethr = 2.38E-11, avg # of iterations = 35.1 total cpu time spent up to now is 736.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3061 PWs) bands (ev): -23.2703 -23.2703 -16.9112 -16.9112 -16.7784 -16.7784 -16.7580 -16.7580 -6.7618 -6.7618 -4.1179 -4.1179 -4.0522 -4.0522 -4.0325 -4.0325 -0.4804 -0.4804 0.1673 0.1673 0.7390 0.7390 0.7619 0.7619 0.8549 0.8549 2.3922 2.3922 2.3948 2.3948 2.4189 2.4189 2.9636 2.9636 3.1054 3.1054 3.4922 3.4922 3.5949 3.5949 3.8025 3.8025 7.1132 7.1132 10.5454 10.5454 11.7004 11.7004 11.7488 11.7488 k = 0.0000 0.0000 0.0154 ( 3057 PWs) bands (ev): -23.2703 -23.2703 -16.9115 -16.9111 -16.7786 -16.7783 -16.7580 -16.7580 -6.7613 -6.7613 -4.1182 -4.1172 -4.0526 -4.0515 -4.0323 -4.0322 -0.4805 -0.4799 0.1675 0.1676 0.7370 0.7382 0.7602 0.7610 0.8535 0.8557 2.3889 2.3920 2.3929 2.3956 2.4185 2.4206 2.9630 2.9663 3.1034 3.1073 3.4898 3.4950 3.5938 3.5985 3.8014 3.8038 7.1161 7.1162 10.5450 10.5482 11.6997 11.7000 11.7483 11.7483 k = 0.0000 0.0000 0.0308 ( 3057 PWs) bands (ev): -23.2701 -23.2701 -16.9119 -16.9112 -16.7789 -16.7783 -16.7582 -16.7582 -6.7597 -6.7597 -4.1181 -4.1163 -4.0526 -4.0506 -4.0317 -4.0315 -0.4800 -0.4788 0.1682 0.1682 0.7318 0.7340 0.7564 0.7580 0.8514 0.8556 2.3804 2.3890 2.3900 2.3964 2.4194 2.4234 2.9643 2.9710 3.1012 3.1091 3.4877 3.4981 3.5954 3.6042 3.8003 3.8052 7.1249 7.1250 10.5468 10.5533 11.6979 11.6985 11.7466 11.7466 k = 0.0000 0.0000 0.0462 ( 3059 PWs) bands (ev): -23.2700 -23.2700 -16.9124 -16.9114 -16.7793 -16.7784 -16.7584 -16.7584 -6.7570 -6.7570 -4.1178 -4.1151 -4.0524 -4.0498 -4.0305 -4.0299 -0.4791 -0.4772 0.1692 0.1692 0.7223 0.7248 0.7525 0.7544 0.8487 0.8544 2.3672 2.3805 2.3884 2.3974 2.4219 2.4275 2.9669 2.9775 3.0986 3.1108 3.4861 3.5010 3.5999 3.6120 3.7994 3.8069 7.1394 7.1396 10.5509 10.5607 11.6950 11.6960 11.7438 11.7439 k = 0.0000 0.0000 0.0616 ( 3065 PWs) bands (ev): -23.2697 -23.2697 -16.9131 -16.9118 -16.7799 -16.7786 -16.7588 -16.7588 -6.7533 -6.7533 -4.1171 -4.1136 -4.0523 -4.0494 -4.0284 -4.0273 -0.4777 -0.4751 0.1706 0.1706 0.7081 0.7099 0.7492 0.7510 0.8452 0.8519 2.3503 2.3682 2.3872 2.3982 2.4260 2.4327 2.9706 2.9858 3.0957 3.1125 3.4847 3.5035 3.6074 3.6215 3.7984 3.8089 7.1597 7.1599 10.5573 10.5703 11.6910 11.6923 11.7398 11.7399 k = 0.0000 0.0000 0.0770 ( 3061 PWs) bands (ev): -23.2694 -23.2694 -16.9139 -16.9123 -16.7805 -16.7788 -16.7592 -16.7592 -6.7486 -6.7486 -4.1162 -4.1120 -4.0526 -4.0496 -4.0252 -4.0232 -0.4758 -0.4727 0.1724 0.1724 0.6895 0.6902 0.7463 0.7477 0.8406 0.8480 2.3302 2.3527 2.3861 2.3989 2.4315 2.4391 2.9750 2.9954 3.0924 3.1143 3.4835 3.5057 3.6177 3.6327 3.7976 3.8114 7.1854 7.1857 10.5659 10.5822 11.6859 11.6875 11.7347 11.7349 k = 0.0000 0.0000 0.0924 ( 3071 PWs) bands (ev): -23.2690 -23.2690 -16.9148 -16.9129 -16.7812 -16.7792 -16.7597 -16.7596 -6.7429 -6.7429 -4.1149 -4.1101 -4.0533 -4.0505 -4.0207 -4.0178 -0.4736 -0.4699 0.1745 0.1746 0.6665 0.6669 0.7434 0.7445 0.8350 0.8426 2.3078 2.3347 2.3854 2.3996 2.4383 2.4464 2.9795 3.0059 3.0884 3.1160 3.4823 3.5072 3.6305 3.6451 3.7968 3.8145 7.2164 7.2168 10.5766 10.5961 11.6797 11.6816 11.7285 11.7288 k = 0.0000 0.0000 0.1077 ( 3063 PWs) bands (ev): -23.2685 -23.2685 -16.9159 -16.9137 -16.7820 -16.7797 -16.7603 -16.7602 -6.7362 -6.7362 -4.1135 -4.1081 -4.0546 -4.0519 -4.0150 -4.0111 -0.4710 -0.4667 0.1771 0.1772 0.6393 0.6409 0.7403 0.7410 0.8281 0.8357 2.2837 2.3149 2.3849 2.4004 2.4462 2.4548 2.9842 3.0170 3.0840 3.1178 3.4811 3.5085 3.6450 3.6586 3.7962 3.8185 7.2525 7.2531 10.5893 10.6121 11.6724 11.6747 11.7212 11.7215 k = 0.0000 0.0000 0.1231 ( 3065 PWs) bands (ev): -23.2680 -23.2680 -16.9172 -16.9146 -16.7830 -16.7803 -16.7609 -16.7608 -6.7286 -6.7285 -4.1118 -4.1059 -4.0563 -4.0538 -4.0079 -4.0033 -0.4682 -0.4634 0.1800 0.1802 0.6093 0.6120 0.7369 0.7374 0.8201 0.8274 2.2584 2.2939 2.3846 2.4013 2.4552 2.4641 2.9887 3.0286 3.0789 3.1196 3.4797 3.5094 3.6605 3.6728 3.7959 3.8236 7.2934 7.2941 10.6039 10.6299 11.6639 11.6667 11.7127 11.7132 k = 0.0000 0.0000 0.1385 ( 3063 PWs) bands (ev): -23.2674 -23.2674 -16.9185 -16.9157 -16.7840 -16.7810 -16.7616 -16.7614 -6.7201 -6.7200 -4.1101 -4.1038 -4.0583 -4.0560 -3.9997 -3.9944 -0.4653 -0.4600 0.1833 0.1835 0.5768 0.5804 0.7331 0.7334 0.8109 0.8177 2.2325 2.2721 2.3847 2.4024 2.4651 2.4743 2.9930 3.0402 3.0732 3.1215 3.4781 3.5102 3.6761 3.6871 3.7961 3.8302 7.3387 7.3397 10.6204 10.6496 11.6543 11.6575 11.7031 11.7037 k = 0.0000 0.0000 0.1539 ( 3059 PWs) bands (ev): -23.2668 -23.2668 -16.9200 -16.9169 -16.7852 -16.7818 -16.7624 -16.7621 -6.7108 -6.7107 -4.1083 -4.1017 -4.0607 -4.0584 -3.9903 -3.9845 -0.4623 -0.4565 0.1869 0.1871 0.5423 0.5466 0.7289 0.7290 0.8005 0.8068 2.2065 2.2500 2.3850 2.4037 2.4759 2.4853 2.9969 3.0519 3.0670 3.1235 3.4763 3.5109 3.6908 3.7010 3.7969 3.8387 7.3882 7.3894 10.6386 10.6710 11.6436 11.6473 11.6924 11.6932 k = 0.0000 0.0000 0.1693 ( 3051 PWs) bands (ev): -23.2661 -23.2661 -16.9215 -16.9181 -16.7864 -16.7827 -16.7631 -16.7628 -6.7007 -6.7005 -4.1065 -4.0997 -4.0631 -4.0609 -3.9799 -3.9736 -0.4594 -0.4531 0.1908 0.1910 0.5062 0.5111 0.7243 0.7243 0.7891 0.7948 2.1807 2.2280 2.3857 2.4052 2.4875 2.4970 3.0006 3.0602 3.0635 3.1256 3.4742 3.5117 3.7041 3.7138 3.7989 3.8492 7.4413 7.4429 10.6583 10.6938 11.6317 11.6359 11.6806 11.6816 k = 0.0000 0.0000 0.1847 ( 3051 PWs) bands (ev): -23.2653 -23.2653 -16.9232 -16.9196 -16.7878 -16.7837 -16.7639 -16.7635 -6.6898 -6.6897 -4.1049 -4.0980 -4.0656 -4.0635 -3.9686 -3.9619 -0.4567 -0.4500 0.1951 0.1953 0.4690 0.4742 0.7192 0.7192 0.7767 0.7816 2.1554 2.2063 2.3867 2.4070 2.4997 2.5094 3.0039 3.0529 3.0750 3.1279 3.4719 3.5126 3.7152 3.7247 3.8024 3.8618 7.4977 7.4996 10.6795 10.7181 11.6187 11.6234 11.6678 11.6691 k = 0.0000 0.0000 0.2001 ( 3051 PWs) bands (ev): -23.2645 -23.2645 -16.9249 -16.9211 -16.7892 -16.7849 -16.7647 -16.7642 -6.6783 -6.6781 -4.1036 -4.0968 -4.0678 -4.0660 -3.9563 -3.9493 -0.4542 -0.4472 0.1996 0.1998 0.4311 0.4363 0.7137 0.7137 0.7635 0.7675 2.1309 2.1854 2.3880 2.4089 2.5126 2.5223 3.0070 3.0453 3.0861 3.1304 3.4694 3.5137 3.7243 3.7332 3.8080 3.8762 7.5569 7.5592 10.7020 10.7436 11.6044 11.6098 11.6541 11.6557 k = 0.0000 0.0000 0.2155 ( 3051 PWs) bands (ev): -23.2637 -23.2637 -16.9268 -16.9227 -16.7907 -16.7861 -16.7655 -16.7649 -6.6662 -6.6659 -4.1029 -4.0964 -4.0695 -4.0682 -3.9432 -3.9359 -0.4522 -0.4449 0.2043 0.2046 0.3928 0.3979 0.7075 0.7077 0.7496 0.7526 2.1075 2.1654 2.3898 2.4112 2.5260 2.5356 3.0099 3.0374 3.0968 3.1334 3.4666 3.5151 3.7314 3.7388 3.8156 3.8920 7.6184 7.6210 10.7257 10.7701 11.5889 11.5949 11.6395 11.6414 k = 0.0000 0.0000 0.2309 ( 3055 PWs) bands (ev): -23.2628 -23.2628 -16.9287 -16.9244 -16.7924 -16.7875 -16.7663 -16.7657 -6.6535 -6.6532 -4.1028 -4.0970 -4.0705 -4.0699 -3.9293 -3.9218 -0.4508 -0.4433 0.2093 0.2096 0.3545 0.3593 0.7005 0.7012 0.7353 0.7371 2.0854 2.1466 2.3920 2.4138 2.5398 2.5493 3.0121 3.0295 3.1067 3.1373 3.4637 3.5167 3.7367 3.7419 3.8247 3.9085 7.6816 7.6847 10.7504 10.7975 11.5721 11.5788 11.6241 11.6264 k = 0.0000 0.0000 0.2463 ( 3055 PWs) bands (ev): -23.2619 -23.2619 -16.9307 -16.9262 -16.7940 -16.7889 -16.7671 -16.7664 -6.6403 -6.6400 -4.1036 -4.0986 -4.0710 -4.0707 -3.9147 -3.9071 -0.4500 -0.4424 0.2145 0.2148 0.3166 0.3209 0.6922 0.6937 0.7211 0.7214 2.0647 2.1293 2.3946 2.4166 2.5539 2.5631 3.0127 3.0233 3.1155 3.1424 3.4606 3.5186 3.7408 3.7430 3.8348 3.9252 7.7459 7.7495 10.7759 10.8255 11.5541 11.5614 11.6081 11.6108 k = 0.0000 0.0000 0.2617 ( 3051 PWs) bands (ev): -23.2610 -23.2609 -16.9327 -16.9281 -16.7958 -16.7904 -16.7678 -16.7671 -6.6268 -6.6264 -4.1053 -4.1013 -4.0715 -4.0703 -3.8995 -3.8917 -0.4500 -0.4424 0.2199 0.2203 0.2795 0.2830 0.6819 0.6845 0.7064 0.7079 2.0456 2.1136 2.3976 2.4197 2.5681 2.5771 3.0080 3.0220 3.1227 3.1495 3.4574 3.5207 3.7426 3.7439 3.8451 3.9416 7.8109 7.8149 10.8021 10.8540 11.5348 11.5427 11.5914 11.5947 k = 0.0000 0.0000 0.2771 ( 3047 PWs) bands (ev): -23.2600 -23.2600 -16.9348 -16.9300 -16.7975 -16.7920 -16.7686 -16.7678 -6.6128 -6.6124 -4.1079 -4.1046 -4.0714 -4.0694 -3.8836 -3.8759 -0.4509 -0.4433 0.2253 0.2258 0.2435 0.2462 0.6689 0.6722 0.6935 0.6965 2.0283 2.0996 2.4011 2.4232 2.5824 2.5910 3.0002 3.0240 3.1282 3.1585 3.4541 3.5233 3.7412 3.7461 3.8551 3.9573 7.8758 7.8802 10.8289 10.8827 11.5142 11.5227 11.5741 11.5781 k = 0.0000 0.0000 0.2924 ( 3047 PWs) bands (ev): -23.2590 -23.2590 -16.9369 -16.9320 -16.7994 -16.7936 -16.7693 -16.7685 -6.5986 -6.5981 -4.1112 -4.1085 -4.0709 -4.0684 -3.8673 -3.8595 -0.4527 -0.4453 0.2079 0.2099 0.2318 0.2320 0.6533 0.6565 0.6833 0.6868 2.0128 2.0876 2.4051 2.4270 2.5966 2.6048 2.9917 3.0267 3.1326 3.1690 3.4507 3.5261 3.7390 3.7478 3.8643 3.9719 7.9400 7.9448 10.8561 10.9113 11.4924 11.5013 11.5557 11.5611 k = 0.0000 0.0000 0.3078 ( 3051 PWs) bands (ev): -23.2580 -23.2580 -16.9390 -16.9340 -16.8012 -16.7954 -16.7700 -16.7692 -6.5842 -6.5837 -4.1149 -4.1128 -4.0702 -4.0673 -3.8506 -3.8427 -0.4556 -0.4484 0.1745 0.1755 0.2375 0.2379 0.6360 0.6385 0.6746 0.6780 1.9994 2.0777 2.4096 2.4312 2.6106 2.6183 2.9832 3.0297 3.1363 3.1805 3.4473 3.5291 3.7361 3.7491 3.8726 3.9853 8.0029 8.0081 10.8835 10.9394 11.4693 11.4786 11.5352 11.5432 k = 0.0000 0.0000 0.3232 ( 3039 PWs) bands (ev): -23.2570 -23.2570 -16.9411 -16.9360 -16.8030 -16.7971 -16.7707 -16.7699 -6.5697 -6.5691 -4.1191 -4.1173 -4.0695 -4.0663 -3.8334 -3.8256 -0.4594 -0.4526 0.1425 0.1426 0.2436 0.2439 0.6175 0.6193 0.6664 0.6698 1.9880 2.0700 2.4146 2.4357 2.6242 2.6315 2.9749 3.0330 3.1398 3.1928 3.4440 3.5326 3.7328 3.7500 3.8800 3.9973 8.0638 8.0693 10.9108 10.9665 11.4452 11.4546 11.5105 11.5229 k = 0.0000 0.0000 0.3386 ( 3039 PWs) bands (ev): -23.2560 -23.2559 -16.9433 -16.9381 -16.8049 -16.7989 -16.7714 -16.7706 -6.5551 -6.5545 -4.1234 -4.1220 -4.0688 -4.0654 -3.8161 -3.8083 -0.4642 -0.4578 0.1111 0.1123 0.2497 0.2502 0.5982 0.5994 0.6584 0.6616 1.9789 2.0646 2.4200 2.4405 2.6373 2.6442 2.9669 3.0366 3.1432 3.2056 3.4407 3.5362 3.7290 3.7508 3.8860 4.0077 8.1220 8.1277 10.9376 10.9920 11.4201 11.4292 11.4816 11.4960 k = 0.0000 0.0000 0.3540 ( 3034 PWs) bands (ev): -23.2549 -23.2549 -16.9454 -16.9402 -16.8067 -16.8007 -16.7720 -16.7713 -6.5405 -6.5399 -4.1280 -4.1267 -4.0683 -4.0648 -3.7985 -3.7908 -0.4699 -0.4639 0.0813 0.0835 0.2560 0.2565 0.5784 0.5791 0.6504 0.6535 1.9719 2.0616 2.4259 2.4456 2.6499 2.6563 2.9593 3.0404 3.1466 3.2189 3.4374 3.5402 3.7249 3.7513 3.8910 4.0164 8.1770 8.1828 10.9636 11.0149 11.3939 11.4023 11.4528 11.4649 k = 0.0000 0.0000 0.3694 ( 3032 PWs) bands (ev): -23.2539 -23.2539 -16.9474 -16.9422 -16.8085 -16.8025 -16.7727 -16.7719 -6.5260 -6.5253 -4.1326 -4.1315 -4.0680 -4.0645 -3.7808 -3.7733 -0.4763 -0.4708 0.0532 0.0564 0.2624 0.2629 0.5582 0.5583 0.6423 0.6454 1.9672 2.0608 2.4323 2.4510 2.6617 2.6677 2.9523 3.0446 3.1499 3.2327 3.4342 3.5443 3.7204 3.7518 3.8946 4.0233 8.2280 8.2338 10.9879 11.0340 11.3670 11.3742 11.4277 11.4354 k = 0.0000 0.0000 0.3848 ( 3028 PWs) bands (ev): -23.2529 -23.2529 -16.9495 -16.9443 -16.8103 -16.8043 -16.7733 -16.7725 -6.5117 -6.5109 -4.1372 -4.1363 -4.0679 -4.0644 -3.7631 -3.7557 -0.4834 -0.4783 0.0268 0.0309 0.2688 0.2693 0.5374 0.5378 0.6342 0.6373 1.9648 2.0624 2.4391 2.4567 2.6727 2.6784 2.9461 3.0491 3.1533 3.2468 3.4312 3.5487 3.7156 3.7522 3.8969 4.0284 8.2746 8.2803 11.0097 11.0479 11.3396 11.3458 11.4080 11.4101 k = 0.0000 0.0000 0.4002 ( 3036 PWs) bands (ev): -23.2519 -23.2519 -16.9515 -16.9463 -16.8121 -16.8061 -16.7739 -16.7731 -6.4976 -6.4968 -4.1419 -4.1411 -4.0681 -4.0646 -3.7455 -3.7382 -0.4908 -0.4862 0.0018 0.0067 0.2753 0.2758 0.5164 0.5172 0.6261 0.6290 1.9646 2.0661 2.4463 2.4627 2.6828 2.6883 2.9406 3.0539 3.1567 3.2613 3.4283 3.5531 3.7105 3.7526 3.8980 4.0314 8.3163 8.3218 11.0277 11.0553 11.3121 11.3178 11.3905 11.3942 k = 0.0000 0.0000 0.4156 ( 3032 PWs) bands (ev): -23.2510 -23.2510 -16.9534 -16.9484 -16.8137 -16.8079 -16.7744 -16.7737 -6.4837 -6.4829 -4.1464 -4.1458 -4.0685 -4.0652 -3.7281 -3.7209 -0.4984 -0.4943 -0.0217 -0.0162 0.2818 0.2823 0.4954 0.4965 0.6179 0.6207 1.9665 2.0719 2.4539 2.4689 2.6919 2.6974 2.9361 3.0592 3.1600 3.2762 3.4257 3.5577 3.7051 3.7531 3.8980 4.0327 8.3526 8.3578 11.0407 11.0559 11.2849 11.2905 11.3776 11.3853 k = 0.0000 0.0000 0.4310 ( 3032 PWs) bands (ev): -23.2500 -23.2500 -16.9553 -16.9503 -16.8154 -16.8097 -16.7750 -16.7743 -6.4703 -6.4694 -4.1509 -4.1504 -4.0692 -4.0660 -3.7108 -3.7039 -0.5060 -0.5023 -0.0439 -0.0379 0.2883 0.2889 0.4745 0.4759 0.6096 0.6125 1.9705 2.0796 2.4618 2.4752 2.7001 2.7056 2.9326 3.0649 3.1632 3.2912 3.4233 3.5623 3.6996 3.7536 3.8969 4.0320 8.3835 8.3883 11.0477 11.0504 11.2582 11.2639 11.3705 11.3783 k = 0.0000 0.0000 0.4464 ( 3040 PWs) bands (ev): -23.2491 -23.2491 -16.9571 -16.9523 -16.8170 -16.8114 -16.7755 -16.7748 -6.4572 -6.4564 -4.1553 -4.1548 -4.0702 -4.0671 -3.6940 -3.6873 -0.5133 -0.5100 -0.0650 -0.0586 0.2948 0.2954 0.4538 0.4554 0.6014 0.6042 1.9764 2.0888 2.4700 2.4818 2.7073 2.7130 2.9303 3.0710 3.1662 3.3063 3.4211 3.5668 3.6939 3.7542 3.8947 4.0294 8.4086 8.4130 11.0406 11.0487 11.2320 11.2378 11.3660 11.3704 k = 0.0000 0.0000 0.4618 ( 3042 PWs) bands (ev): -23.2482 -23.2482 -16.9588 -16.9541 -16.8184 -16.8131 -16.7760 -16.7753 -6.4446 -6.4437 -4.1596 -4.1591 -4.0714 -4.0684 -3.6775 -3.6711 -0.5202 -0.5173 -0.0851 -0.0783 0.3012 0.3019 0.4334 0.4353 0.5932 0.5959 1.9840 2.0993 2.4784 2.4885 2.7136 2.7194 2.9294 3.0775 3.1689 3.3212 3.4195 3.5713 3.6883 3.7550 3.8916 4.0248 8.4282 8.4321 11.0285 11.0450 11.2065 11.2123 11.3597 11.3608 k = 0.0000 0.0000 0.4771 ( 3046 PWs) bands (ev): -23.2474 -23.2474 -16.9604 -16.9559 -16.8199 -16.8147 -16.7764 -16.7758 -6.4325 -6.4317 -4.1637 -4.1633 -4.0728 -4.0700 -3.6616 -3.6555 -0.5265 -0.5240 -0.1041 -0.0973 0.3077 0.3084 0.4135 0.4156 0.5851 0.5877 1.9933 2.1108 2.4869 2.4953 2.7189 2.7249 2.9298 3.0844 3.1711 3.3355 3.4186 3.5755 3.6828 3.7560 3.8877 4.0182 8.4423 8.4457 11.0159 11.0381 11.1817 11.1875 11.3500 11.3508 k = 0.0000 0.0000 0.4925 ( 3054 PWs) bands (ev): -23.2466 -23.2466 -16.9619 -16.9576 -16.8212 -16.8163 -16.7769 -16.7763 -6.4210 -6.4202 -4.1676 -4.1672 -4.0744 -4.0717 -3.6463 -3.6405 -0.5321 -0.5298 -0.1223 -0.1155 0.3140 0.3148 0.3943 0.3964 0.5770 0.5795 2.0039 2.1227 2.4956 2.5022 2.7235 2.7296 2.9318 3.0916 3.1729 3.3482 3.4191 3.5795 3.6776 3.7573 3.8831 4.0098 8.4514 8.4544 11.0037 11.0295 11.1578 11.1634 11.3388 11.3403 k = 0.0000 0.0000 0.5079 ( 3054 PWs) bands (ev): -23.2458 -23.2458 -16.9633 -16.9593 -16.8224 -16.8178 -16.7773 -16.7768 -6.4102 -6.4094 -4.1713 -4.1710 -4.0761 -4.0736 -3.6317 -3.6262 -0.5369 -0.5349 -0.1397 -0.1329 0.3202 0.3211 0.3758 0.3780 0.5691 0.5715 2.0157 2.1348 2.5043 2.5092 2.7274 2.7334 2.9355 3.0992 3.1740 3.3580 3.4222 3.5831 3.6732 3.7589 3.8780 3.9995 8.4560 8.4585 10.9928 11.0205 11.1350 11.1404 11.3276 11.3293 k = 0.0000 0.0000 0.5233 ( 3058 PWs) bands (ev): -23.2451 -23.2451 -16.9646 -16.9608 -16.8236 -16.8192 -16.7776 -16.7772 -6.4000 -6.3992 -4.1748 -4.1745 -4.0779 -4.0756 -3.6179 -3.6127 -0.5407 -0.5390 -0.1562 -0.1497 0.3261 0.3271 0.3582 0.3606 0.5614 0.5637 2.0285 2.1464 2.5129 2.5163 2.7306 2.7365 2.9409 3.1072 3.1743 3.3630 3.4292 3.5862 3.6696 3.7607 3.8724 3.9874 8.4567 8.4587 10.9833 11.0116 11.1134 11.1186 11.3166 11.3184 k = 0.0000 0.0000 0.5387 ( 3058 PWs) bands (ev): -23.2445 -23.2444 -16.9658 -16.9623 -16.8246 -16.8206 -16.7780 -16.7776 -6.3905 -6.3898 -4.1780 -4.1777 -4.0797 -4.0776 -3.6049 -3.6002 -0.5437 -0.5421 -0.1718 -0.1656 0.3307 0.3320 0.3427 0.3453 0.5539 0.5561 2.0420 2.1573 2.5214 2.5234 2.7332 2.7388 2.9483 3.1154 3.1739 3.3628 3.4403 3.5888 3.6674 3.7629 3.8664 3.9736 8.4541 8.4557 10.9755 11.0033 11.0932 11.0981 11.3062 11.3079 k = 0.0000 0.0000 0.5541 ( 3056 PWs) bands (ev): -23.2439 -23.2438 -16.9669 -16.9636 -16.8255 -16.8218 -16.7783 -16.7779 -6.3819 -6.3812 -4.1809 -4.1807 -4.0815 -4.0796 -3.5929 -3.5885 -0.5457 -0.5444 -0.1866 -0.1808 0.3243 0.3252 0.3406 0.3410 0.5467 0.5487 2.0561 2.1670 2.5297 2.5305 2.7353 2.7404 2.9576 3.1239 3.1725 3.3581 3.4542 3.5908 3.6669 3.7655 3.8602 3.9581 8.4489 8.4503 10.9692 10.9958 11.0745 11.0792 11.2965 11.2980 k = 0.0000 0.0000 0.5695 ( 3064 PWs) bands (ev): -23.2433 -23.2433 -16.9678 -16.9649 -16.8263 -16.8230 -16.7786 -16.7782 -6.3740 -6.3734 -4.1836 -4.1834 -4.0833 -4.0816 -3.5819 -3.5780 -0.5470 -0.5458 -0.2004 -0.1951 0.3105 0.3120 0.3454 0.3457 0.5398 0.5417 2.0703 2.1752 2.5376 2.5376 2.7368 2.7415 2.9689 3.1327 3.1702 3.3498 3.4696 3.5920 3.6683 3.7684 3.8538 3.9411 8.4420 8.4430 10.9643 10.9889 11.0577 11.0619 11.2876 11.2889 k = 0.0000 0.0000 0.5849 ( 3076 PWs) bands (ev): -23.2428 -23.2428 -16.9686 -16.9660 -16.8270 -16.8241 -16.7788 -16.7785 -6.3670 -6.3664 -4.1860 -4.1859 -4.0850 -4.0834 -3.5720 -3.5685 -0.5475 -0.5465 -0.2131 -0.2083 0.2977 0.2991 0.3505 0.3509 0.5334 0.5351 2.0846 2.1815 2.5444 2.5450 2.7379 2.7420 2.9822 3.1418 3.1667 3.3386 3.4854 3.5924 3.6722 3.7717 3.8473 3.9225 8.4339 8.4348 10.9606 10.9828 11.0426 11.0463 11.2795 11.2806 k = 0.0000 0.0000 0.6003 ( 3072 PWs) bands (ev): -23.2424 -23.2424 -16.9693 -16.9671 -16.8276 -16.8250 -16.7790 -16.7788 -6.3608 -6.3603 -4.1881 -4.1880 -4.0865 -4.0852 -3.5632 -3.5602 -0.5474 -0.5466 -0.2246 -0.2204 0.2863 0.2876 0.3553 0.3558 0.5274 0.5290 2.0988 2.1858 2.5509 2.5518 2.7386 2.7421 2.9973 3.1514 3.1621 3.3252 3.5011 3.5920 3.6788 3.7755 3.8409 3.9029 8.4255 8.4261 10.9579 10.9774 11.0297 11.0328 11.2724 11.2734 k = 0.0000 0.0000 0.6157 ( 3076 PWs) bands (ev): -23.2420 -23.2420 -16.9699 -16.9680 -16.8281 -16.8259 -16.7792 -16.7790 -6.3555 -6.3551 -4.1899 -4.1898 -4.0878 -4.0867 -3.5557 -3.5532 -0.5469 -0.5463 -0.2347 -0.2311 0.2764 0.2776 0.3597 0.3602 0.5222 0.5235 2.1126 2.1880 2.5568 2.5578 2.7390 2.7418 3.0139 3.1563 3.1613 3.3098 3.5159 3.5907 3.6882 3.7796 3.8346 3.8822 8.4173 8.4177 10.9560 10.9724 11.0188 11.0213 11.2663 11.2671 k = 0.0000 0.0000 0.6311 ( 3074 PWs) bands (ev): -23.2417 -23.2417 -16.9703 -16.9687 -16.8284 -16.8267 -16.7794 -16.7792 -6.3512 -6.3508 -4.1914 -4.1913 -4.0890 -4.0881 -3.5494 -3.5473 -0.5461 -0.5456 -0.2432 -0.2403 0.2682 0.2692 0.3636 0.3641 0.5176 0.5188 2.1258 2.1881 2.5620 2.5630 2.7391 2.7414 3.0317 3.1490 3.1719 3.2930 3.5296 3.5886 3.7004 3.7840 3.8283 3.8607 8.4098 8.4101 10.9549 10.9679 11.0101 11.0119 11.2612 11.2619 k = 0.0000 0.0000 0.6465 ( 3074 PWs) bands (ev): -23.2415 -23.2415 -16.9705 -16.9694 -16.8286 -16.8273 -16.7795 -16.7793 -6.3478 -6.3475 -4.1926 -4.1925 -4.0899 -4.0892 -3.5444 -3.5428 -0.5452 -0.5449 -0.2500 -0.2478 0.2618 0.2626 0.3669 0.3672 0.5139 0.5148 2.1382 2.1861 2.5664 2.5672 2.7392 2.7408 3.0501 3.1402 3.1833 3.2755 3.5418 3.5854 3.7153 3.7887 3.8221 3.8387 8.4035 8.4037 10.9542 10.9639 11.0034 11.0046 11.2573 11.2577 k = 0.0000 0.0000 0.6619 ( 3078 PWs) bands (ev): -23.2413 -23.2413 -16.9707 -16.9699 -16.8287 -16.8278 -16.7795 -16.7794 -6.3453 -6.3451 -4.1934 -4.1933 -4.0905 -4.0900 -3.5407 -3.5397 -0.5444 -0.5442 -0.2549 -0.2534 0.2572 0.2577 0.3693 0.3696 0.5113 0.5119 2.1497 2.1822 2.5697 2.5703 2.7392 2.7403 3.0684 3.1295 3.1957 3.2577 3.5524 3.5812 3.7325 3.7937 3.8161 3.8163 8.3987 8.3989 10.9542 10.9606 10.9988 10.9995 11.2544 11.2547 k = 0.0000 0.0000 0.6772 ( 3078 PWs) bands (ev): -23.2412 -23.2412 -16.9707 -16.9703 -16.8287 -16.8282 -16.7796 -16.7795 -6.3438 -6.3437 -4.1939 -4.1938 -4.0908 -4.0906 -3.5384 -3.5379 -0.5439 -0.5438 -0.2577 -0.2569 0.2545 0.2548 0.3709 0.3710 0.5097 0.5100 2.1600 2.1764 2.5718 2.5721 2.7392 2.7398 3.0860 3.1169 3.2093 3.2405 3.5616 3.5759 3.7518 3.7941 3.7991 3.8102 8.3958 8.3958 10.9547 10.9579 10.9962 10.9964 11.2527 11.2529 k = 0.0000 0.0000 0.6926 ( 3086 PWs) bands (ev): -23.2412 -23.2412 -16.9706 -16.9706 -16.8285 -16.8285 -16.7796 -16.7796 -6.3433 -6.3433 -4.1940 -4.1940 -4.0909 -4.0909 -3.5375 -3.5375 -0.5437 -0.5437 -0.2584 -0.2584 0.2537 0.2537 0.3714 0.3714 0.5092 0.5092 2.1690 2.1690 2.5725 2.5725 2.7394 2.7394 3.1023 3.1023 3.2242 3.2242 3.5694 3.5694 3.7724 3.7724 3.8045 3.8045 8.3948 8.3948 10.9559 10.9559 10.9953 10.9953 11.2522 11.2522 k = 0.0000 0.0000 0.6926 ( 3086 PWs) bands (ev): -23.2412 -23.2412 -16.9706 -16.9706 -16.8285 -16.8285 -16.7796 -16.7796 -6.3433 -6.3433 -4.1940 -4.1940 -4.0909 -4.0909 -3.5375 -3.5375 -0.5437 -0.5437 -0.2584 -0.2584 0.2537 0.2537 0.3714 0.3714 0.5092 0.5092 2.1690 2.1690 2.5725 2.5725 2.7394 2.7394 3.1023 3.1023 3.2242 3.2242 3.5694 3.5694 3.7724 3.7724 3.8045 3.8045 8.3948 8.3948 10.9559 10.9559 10.9953 10.9953 11.2522 11.2522 k =-0.0109 0.0104 0.6926 ( 3078 PWs) bands (ev): -23.2412 -23.2412 -16.9708 -16.9705 -16.8285 -16.8285 -16.7797 -16.7795 -6.3430 -6.3429 -4.1939 -4.1930 -4.0910 -4.0901 -3.5375 -3.5375 -0.5441 -0.5435 -0.2587 -0.2584 0.2527 0.2534 0.3710 0.3711 0.5070 0.5088 2.1677 2.1707 2.5717 2.5742 2.7359 2.7388 3.0996 3.1045 3.2233 3.2264 3.5681 3.5701 3.7724 3.7733 3.8051 3.8070 8.3971 8.3974 10.9447 10.9627 10.9889 11.0061 11.2526 11.2527 k =-0.0218 0.0209 0.6926 ( 3070 PWs) bands (ev): -23.2411 -23.2411 -16.9711 -16.9706 -16.8285 -16.8284 -16.7798 -16.7795 -6.3421 -6.3418 -4.1926 -4.1908 -4.0905 -4.0886 -3.5377 -3.5377 -0.5448 -0.5437 -0.2594 -0.2589 0.2504 0.2518 0.3699 0.3700 0.5023 0.5058 2.1669 2.1729 2.5715 2.5765 2.7284 2.7338 3.0968 3.1060 3.2238 3.2294 3.5663 3.5703 3.7733 3.7741 3.8088 3.8131 8.4044 8.4050 10.9322 10.9587 10.9931 11.0179 11.2538 11.2539 k =-0.0326 0.0313 0.6926 ( 3072 PWs) bands (ev): -23.2410 -23.2410 -16.9716 -16.9709 -16.8284 -16.8282 -16.7801 -16.7796 -6.3404 -6.3400 -4.1903 -4.1875 -4.0893 -4.0865 -3.5380 -3.5379 -0.5459 -0.5443 -0.2605 -0.2597 0.2468 0.2489 0.3681 0.3682 0.4951 0.5003 2.1666 2.1756 2.5721 2.5793 2.7175 2.7249 3.0940 3.1067 3.2256 3.2328 3.5640 3.5699 3.7745 3.7750 3.8157 3.8226 8.4165 8.4174 10.9192 10.9481 11.0036 11.0300 11.2558 11.2559 k =-0.0435 0.0417 0.6926 ( 3076 PWs) bands (ev): -23.2409 -23.2409 -16.9722 -16.9713 -16.8283 -16.8280 -16.7804 -16.7798 -6.3381 -6.3376 -4.1868 -4.1830 -4.0875 -4.0838 -3.5384 -3.5383 -0.5474 -0.5452 -0.2619 -0.2608 0.2419 0.2446 0.3655 0.3657 0.4856 0.4923 2.1668 2.1787 2.5732 2.5821 2.7039 2.7129 3.0914 3.1064 3.2285 3.2359 3.5614 3.5688 3.7744 3.7768 3.8263 3.8354 8.4335 8.4347 10.9058 10.9357 11.0157 11.0422 11.2584 11.2585 k =-0.0544 0.0522 0.6926 ( 3068 PWs) bands (ev): -23.2408 -23.2408 -16.9730 -16.9718 -16.8281 -16.8278 -16.7808 -16.7800 -6.3352 -6.3345 -4.1822 -4.1774 -4.0851 -4.0803 -3.5389 -3.5388 -0.5493 -0.5466 -0.2637 -0.2623 0.2359 0.2392 0.3622 0.3625 0.4740 0.4819 2.1676 2.1822 2.5747 2.5843 2.6887 2.6991 3.0891 3.1055 3.2323 3.2384 3.5584 3.5672 3.7739 3.7785 3.8407 3.8509 8.4552 8.4567 10.8923 10.9226 11.0284 11.0544 11.2616 11.2618 k =-0.0653 0.0626 0.6926 ( 3070 PWs) bands (ev): -23.2406 -23.2406 -16.9739 -16.9725 -16.8279 -16.8275 -16.7812 -16.7803 -6.3317 -6.3308 -4.1767 -4.1706 -4.0821 -4.0761 -3.5395 -3.5394 -0.5517 -0.5486 -0.2658 -0.2642 0.2288 0.2326 0.3583 0.3586 0.4605 0.4694 2.1688 2.1862 2.5759 2.5847 2.6728 2.6854 3.0871 3.1037 3.2366 3.2399 3.5552 3.5649 3.7730 3.7797 3.8586 3.8683 8.4815 8.4832 10.8784 10.9090 11.0414 11.0667 11.2651 11.2654 k =-0.0762 0.0730 0.6926 ( 3074 PWs) bands (ev): -23.2404 -23.2404 -16.9750 -16.9734 -16.8277 -16.8272 -16.7817 -16.7807 -6.3275 -6.3266 -4.1701 -4.1628 -4.0785 -4.0713 -3.5402 -3.5401 -0.5547 -0.5513 -0.2683 -0.2664 0.2207 0.2248 0.3536 0.3540 0.4453 0.4548 2.1706 2.1906 2.5757 2.5810 2.6580 2.6746 3.0854 3.1012 3.2403 3.2413 3.5517 3.5622 3.7719 3.7806 3.8792 3.8871 8.5123 8.5142 10.8644 10.8952 11.0545 11.0790 11.2689 11.2693 k =-0.0871 0.0835 0.6926 ( 3076 PWs) bands (ev): -23.2402 -23.2401 -16.9762 -16.9744 -16.8274 -16.8268 -16.7822 -16.7811 -6.3229 -6.3218 -4.1626 -4.1539 -4.0744 -4.0657 -3.5410 -3.5409 -0.5585 -0.5547 -0.2711 -0.2690 0.2117 0.2161 0.3483 0.3488 0.4287 0.4386 2.1729 2.1954 2.5715 2.5722 2.6466 2.6693 3.0839 3.0981 3.2395 3.2460 3.5479 3.5589 3.7707 3.7812 3.9021 3.9068 8.5474 8.5494 10.8501 10.8811 11.0677 11.0914 11.2727 11.2732 k =-0.0979 0.0939 0.6926 ( 3076 PWs) bands (ev): -23.2399 -23.2399 -16.9775 -16.9755 -16.8271 -16.8265 -16.7828 -16.7816 -6.3177 -6.3165 -4.1543 -4.1440 -4.0697 -4.0594 -3.5419 -3.5418 -0.5631 -0.5590 -0.2742 -0.2719 0.2018 0.2063 0.3424 0.3430 0.4110 0.4209 2.1758 2.2005 2.5561 2.5634 2.6409 2.6701 3.0825 3.0944 3.2377 3.2505 3.5439 3.5552 3.7693 3.7816 3.9265 3.9270 8.5864 8.5886 10.8357 10.8668 11.0810 11.1037 11.2763 11.2770 k =-0.1088 0.1043 0.6926 ( 3070 PWs) bands (ev): -23.2396 -23.2396 -16.9789 -16.9767 -16.8268 -16.8260 -16.7834 -16.7821 -6.3120 -6.3108 -4.1452 -4.1331 -4.0644 -4.0524 -3.5429 -3.5427 -0.5686 -0.5643 -0.2776 -0.2751 0.1912 0.1957 0.3358 0.3365 0.3926 0.4020 2.1792 2.2061 2.5365 2.5495 2.6412 2.6756 3.0813 3.0901 3.2351 3.2549 3.5397 3.5510 3.7678 3.7818 3.9471 3.9519 8.6293 8.6314 10.8211 10.8525 11.0942 11.1161 11.2795 11.2804 k =-0.1197 0.1147 0.6926 ( 3070 PWs) bands (ev): -23.2393 -23.2393 -16.9805 -16.9781 -16.8264 -16.8256 -16.7841 -16.7826 -6.3059 -6.3046 -4.1353 -4.1214 -4.0586 -4.0445 -3.5439 -3.5438 -0.5752 -0.5708 -0.2813 -0.2785 0.1800 0.1843 0.3287 0.3294 0.3738 0.3823 2.1831 2.2121 2.5146 2.5323 2.6459 2.6843 3.0801 3.0852 3.2317 3.2588 3.5352 3.5463 3.7662 3.7818 3.9667 3.9774 8.6755 8.6777 10.8064 10.8380 11.1074 11.1283 11.2821 11.2831 k =-0.1306 0.1252 0.6926 ( 3074 PWs) bands (ev): -23.2390 -23.2390 -16.9821 -16.9795 -16.8260 -16.8251 -16.7848 -16.7832 -6.2995 -6.2981 -4.1250 -4.1087 -4.0522 -4.0359 -3.5451 -3.5449 -0.5830 -0.5785 -0.2853 -0.2823 0.1682 0.1721 0.3210 0.3217 0.3549 0.3621 2.1875 2.2183 2.4917 2.5135 2.6534 2.6952 3.0791 3.0797 3.2277 3.2624 3.5305 3.5412 3.7644 3.7816 3.9855 4.0027 8.7248 8.7269 10.7917 10.8235 11.1205 11.1405 11.2839 11.2851 k =-0.1415 0.1356 0.6926 ( 3078 PWs) bands (ev): -23.2386 -23.2386 -16.9839 -16.9811 -16.8256 -16.8246 -16.7854 -16.7838 -6.2927 -6.2912 -4.1141 -4.0954 -4.0452 -4.0264 -3.5463 -3.5461 -0.5919 -0.5875 -0.2896 -0.2864 0.1560 0.1593 0.3127 0.3132 0.3365 0.3417 2.1925 2.2250 2.4686 2.4943 2.6628 2.7078 3.0737 3.0782 3.2234 3.2654 3.5257 3.5356 3.7626 3.7812 4.0032 4.0272 8.7767 8.7787 10.7770 10.8090 11.1335 11.1525 11.2847 11.2861 k =-0.1523 0.1460 0.6926 ( 3074 PWs) bands (ev): -23.2383 -23.2383 -16.9857 -16.9828 -16.8251 -16.8241 -16.7861 -16.7845 -6.2856 -6.2841 -4.1030 -4.0816 -4.0375 -4.0160 -3.5476 -3.5474 -0.6022 -0.5979 -0.2941 -0.2907 0.1432 0.1457 0.3036 0.3037 0.3193 0.3218 2.1980 2.2320 2.4459 2.4753 2.6737 2.7216 3.0672 3.0775 3.2188 3.2681 3.5207 3.5298 3.7607 3.7807 4.0194 4.0506 8.8308 8.8326 10.7625 10.7948 11.1462 11.1643 11.2843 11.2860 k =-0.1632 0.1565 0.6926 ( 3070 PWs) bands (ev): -23.2379 -23.2379 -16.9876 -16.9846 -16.8247 -16.8235 -16.7868 -16.7851 -6.2784 -6.2768 -4.0916 -4.0675 -4.0289 -4.0047 -3.5489 -3.5487 -0.6138 -0.6096 -0.2988 -0.2952 0.1298 0.1313 0.2923 0.2928 0.3036 0.3044 2.2039 2.2393 2.4238 2.4569 2.6857 2.7366 3.0602 3.0769 3.2141 3.2702 3.5157 3.5235 3.7587 3.7801 4.0341 4.0726 8.8864 8.8880 10.7482 10.7807 11.1586 11.1759 11.2827 11.2845 k =-0.1741 0.1669 0.6926 ( 3074 PWs) bands (ev): -23.2375 -23.2375 -16.9896 -16.9865 -16.8242 -16.8230 -16.7875 -16.7858 -6.2709 -6.2694 -4.0802 -4.0536 -4.0192 -3.9925 -3.5503 -3.5501 -0.6266 -0.6226 -0.3037 -0.2999 0.1158 0.1161 0.2782 0.2788 0.2898 0.2924 2.2103 2.2469 2.4027 2.4394 2.6986 2.7524 3.0527 3.0766 3.2093 3.2718 3.5105 3.5168 3.7565 3.7792 4.0469 4.0929 8.9431 8.9443 10.7344 10.7671 11.1706 11.1871 11.2796 11.2816 k =-0.1850 0.1773 0.6926 ( 3074 PWs) bands (ev): -23.2371 -23.2371 -16.9917 -16.9884 -16.8237 -16.8224 -16.7882 -16.7865 -6.2634 -6.2618 -4.0688 -4.0405 -4.0078 -3.9792 -3.5517 -3.5515 -0.6406 -0.6369 -0.3088 -0.3049 0.1000 0.1010 0.2615 0.2649 0.2789 0.2819 2.2172 2.2548 2.3828 2.4231 2.7123 2.7690 3.0449 3.0764 3.2045 3.2731 3.5053 3.5099 3.7543 3.7782 4.0576 4.1111 9.0000 9.0010 10.7213 10.7541 11.1822 11.1980 11.2750 11.2772 k =-0.1959 0.1878 0.6926 ( 3076 PWs) bands (ev): -23.2367 -23.2367 -16.9938 -16.9904 -16.8232 -16.8218 -16.7889 -16.7871 -6.2558 -6.2542 -4.0576 -4.0285 -3.9944 -3.9650 -3.5532 -3.5529 -0.6556 -0.6523 -0.3140 -0.3100 0.0829 0.0852 0.2455 0.2519 0.2687 0.2718 2.2245 2.2630 2.3641 2.4081 2.7265 2.7862 3.0368 3.0766 3.1998 3.2739 3.5002 3.5026 3.7520 3.7771 4.0662 4.1272 9.0565 9.0572 10.7090 10.7419 11.1932 11.2083 11.2691 11.2714 k =-0.2068 0.1982 0.6926 ( 3076 PWs) bands (ev): -23.2363 -23.2362 -16.9959 -16.9925 -16.8227 -16.8212 -16.7895 -16.7878 -6.2482 -6.2466 -4.0467 -4.0179 -3.9790 -3.9498 -3.5547 -3.5544 -0.6716 -0.6686 -0.3194 -0.3152 0.0648 0.0683 0.2309 0.2403 0.2584 0.2618 2.2322 2.2714 2.3469 2.3946 2.7413 2.8040 3.0284 3.0771 3.1952 3.2744 3.4950 3.4951 3.7496 3.7757 4.0725 4.1409 9.1118 9.1122 10.6980 10.7308 11.2036 11.2180 11.2618 11.2643 k =-0.2176 0.2086 0.6926 ( 3084 PWs) bands (ev): -23.2358 -23.2358 -16.9981 -16.9946 -16.8222 -16.8206 -16.7901 -16.7884 -6.2406 -6.2390 -4.0361 -4.0083 -3.9621 -3.9338 -3.5562 -3.5559 -0.6883 -0.6856 -0.3249 -0.3206 0.0457 0.0502 0.2181 0.2301 0.2482 0.2518 2.2403 2.2800 2.3312 2.3827 2.7565 2.8224 3.0199 3.0778 3.1906 3.2746 3.4872 3.4902 3.7470 3.7742 4.0764 4.1522 9.1649 9.1650 10.6885 10.7211 11.2130 11.2264 11.2539 11.2560 k =-0.2285 0.2191 0.6926 ( 3086 PWs) bands (ev): -23.2354 -23.2354 -17.0003 -16.9967 -16.8217 -16.8200 -16.7907 -16.7891 -6.2331 -6.2316 -4.0258 -3.9994 -3.9440 -3.9170 -3.5578 -3.5574 -0.7055 -0.7032 -0.3305 -0.3261 0.0258 0.0310 0.2069 0.2211 0.2379 0.2419 2.2486 2.2888 2.3172 2.3727 2.7720 2.8411 3.0112 3.0789 3.1862 3.2745 3.4792 3.4854 3.7444 3.7724 4.0780 4.1611 9.2150 9.2150 10.6810 10.7131 11.2204 11.2307 11.2477 11.2481 k =-0.2394 0.2295 0.6926 ( 3086 PWs) bands (ev): -23.2350 -23.2349 -17.0024 -16.9989 -16.8213 -16.8195 -16.7912 -16.7896 -6.2258 -6.2242 -4.0159 -3.9910 -3.9250 -3.8996 -3.5593 -3.5589 -0.7230 -0.7210 -0.3361 -0.3317 0.0051 0.0108 0.1974 0.2132 0.2277 0.2322 2.2570 2.2977 2.3051 2.3645 2.7876 2.8602 3.0026 3.0803 3.1820 3.2743 3.4710 3.4809 3.7417 3.7705 4.0772 4.1674 9.2611 9.2613 10.6759 10.7073 11.2220 11.2248 11.2434 11.2506 k =-0.2503 0.2399 0.6926 ( 3086 PWs) bands (ev): -23.2345 -23.2345 -17.0047 -17.0011 -16.8208 -16.8189 -16.7917 -16.7902 -6.2186 -6.2171 -4.0064 -3.9831 -3.9056 -3.8816 -3.5608 -3.5604 -0.7405 -0.7388 -0.3418 -0.3374 -0.0161 -0.0102 0.1891 0.2059 0.2175 0.2229 2.2652 2.2954 2.3068 2.3583 2.8032 2.8795 2.9942 3.0821 3.1779 3.2740 3.4626 3.4767 3.7389 3.7684 4.0739 4.1711 9.3027 9.3027 10.6734 10.7039 11.2133 11.2139 11.2468 11.2571 k =-0.2612 0.2504 0.6926 ( 3090 PWs) bands (ev): -23.2341 -23.2341 -17.0068 -17.0033 -16.8203 -16.8184 -16.7922 -16.7907 -6.2116 -6.2102 -3.9973 -3.9755 -3.8858 -3.8632 -3.5624 -3.5619 -0.7578 -0.7564 -0.3475 -0.3430 -0.0376 -0.0318 0.1818 0.1987 0.2075 0.2142 2.2715 2.2895 2.3160 2.3542 2.8187 2.8989 2.9860 3.0841 3.1739 3.2736 3.4541 3.4728 3.7360 3.7660 4.0681 4.1721 9.3387 9.3388 10.6741 10.7033 11.1996 11.2013 11.2530 11.2640 k =-0.2720 0.2608 0.6926 ( 3092 PWs) bands (ev): -23.2337 -23.2337 -17.0090 -17.0055 -16.8199 -16.8178 -16.7925 -16.7912 -6.2048 -6.2035 -3.9886 -3.9682 -3.8657 -3.8445 -3.5639 -3.5634 -0.7746 -0.7735 -0.3532 -0.3487 -0.0594 -0.0538 0.1752 0.1912 0.1977 0.2065 2.2721 2.2916 2.3253 2.3522 2.8338 2.9184 2.9784 3.0865 3.1702 3.2733 3.4455 3.4693 3.7330 3.7635 4.0599 4.1706 9.3686 9.3689 10.6779 10.7057 11.1849 11.1869 11.2595 11.2705 k =-0.2720 0.2608 0.6926 ( 3092 PWs) bands (ev): -23.2337 -23.2337 -17.0090 -17.0055 -16.8199 -16.8178 -16.7925 -16.7912 -6.2048 -6.2035 -3.9886 -3.9682 -3.8657 -3.8445 -3.5639 -3.5634 -0.7746 -0.7735 -0.3532 -0.3487 -0.0594 -0.0538 0.1752 0.1912 0.1977 0.2065 2.2721 2.2916 2.3253 2.3522 2.8338 2.9184 2.9784 3.0865 3.1702 3.2733 3.4455 3.4693 3.7330 3.7635 4.0599 4.1706 9.3686 9.3689 10.6779 10.7057 11.1849 11.1869 11.2595 11.2705 k =-0.2796 0.2681 0.6821 ( 3086 PWs) bands (ev): -23.2334 -23.2334 -17.0105 -17.0070 -16.8196 -16.8175 -16.7928 -16.7915 -6.2004 -6.1991 -3.9828 -3.9633 -3.8516 -3.8313 -3.5653 -3.5647 -0.7861 -0.7851 -0.3567 -0.3522 -0.0744 -0.0688 0.1705 0.1853 0.1916 0.2022 2.2697 2.2957 2.3323 2.3519 2.8438 2.9316 2.9728 3.0889 3.1675 3.2736 3.4391 3.4676 3.7282 3.7635 4.0538 4.1687 9.3863 9.3869 10.6829 10.7096 11.1738 11.1760 11.2641 11.2750 k =-0.2872 0.2754 0.6716 ( 3082 PWs) bands (ev): -23.2331 -23.2331 -17.0118 -17.0084 -16.8193 -16.8172 -16.7930 -16.7918 -6.1964 -6.1951 -3.9772 -3.9586 -3.8375 -3.8179 -3.5676 -3.5665 -0.7974 -0.7965 -0.3593 -0.3549 -0.0886 -0.0832 0.1653 0.1785 0.1870 0.1992 2.2668 2.2985 2.3401 2.3522 2.8531 2.9421 2.9680 3.0923 3.1649 3.2747 3.4321 3.4666 3.7197 3.7654 4.0488 4.1668 9.4022 9.4031 10.6901 10.7154 11.1618 11.1642 11.2688 11.2796 k =-0.2948 0.2826 0.6611 ( 3084 PWs) bands (ev): -23.2329 -23.2329 -17.0131 -17.0097 -16.8191 -16.8169 -16.7931 -16.7920 -6.1928 -6.1916 -3.9719 -3.9541 -3.8232 -3.8045 -3.5706 -3.5690 -0.8083 -0.8076 -0.3612 -0.3567 -0.1021 -0.0969 0.1593 0.1715 0.1837 0.1971 2.2641 2.2999 2.3478 2.3537 2.8615 2.9437 2.9708 3.0961 3.1632 3.2761 3.4249 3.4659 3.7093 3.7672 4.0448 4.1650 9.4163 9.4175 10.6992 10.7233 11.1492 11.1516 11.2735 11.2840 k =-0.3024 0.2899 0.6505 ( 3082 PWs) bands (ev): -23.2327 -23.2327 -17.0143 -17.0109 -16.8189 -16.8166 -16.7932 -16.7922 -6.1896 -6.1884 -3.9668 -3.9499 -3.8090 -3.7910 -3.5743 -3.5722 -0.8188 -0.8182 -0.3623 -0.3579 -0.1148 -0.1098 0.1529 0.1646 0.1816 0.1958 2.2618 2.3002 2.3528 2.3584 2.8690 2.9364 2.9815 3.0996 3.1631 3.2773 3.4179 3.4656 3.6983 3.7680 4.0421 4.1633 9.4286 9.4302 10.7102 10.7328 11.1361 11.1385 11.2779 11.2883 k =-0.3100 0.2972 0.6400 ( 3080 PWs) bands (ev): -23.2325 -23.2325 -17.0154 -17.0120 -16.8186 -16.8163 -16.7933 -16.7923 -6.1867 -6.1855 -3.9621 -3.9458 -3.7949 -3.7776 -3.5786 -3.5761 -0.8288 -0.8282 -0.3627 -0.3584 -0.1266 -0.1219 0.1463 0.1578 0.1803 0.1949 2.2599 2.2996 2.3554 2.3657 2.8754 2.9262 2.9942 3.1024 3.1651 3.2781 3.4112 3.4653 3.6872 3.7674 4.0406 4.1618 9.4393 9.4412 10.7228 10.7440 11.1223 11.1249 11.2822 11.2923 k =-0.3176 0.3045 0.6295 ( 3078 PWs) bands (ev): -23.2323 -23.2323 -17.0165 -17.0130 -16.8185 -16.8161 -16.7933 -16.7924 -6.1841 -6.1830 -3.9577 -3.9421 -3.7809 -3.7642 -3.5836 -3.5806 -0.8381 -0.8376 -0.3626 -0.3583 -0.1377 -0.1331 0.1398 0.1514 0.1796 0.1943 2.2584 2.2984 2.3580 2.3729 2.8808 2.9152 3.0072 3.1040 3.1693 3.2782 3.4052 3.4650 3.6764 3.7655 4.0402 4.1605 9.4484 9.4506 10.7368 10.7565 11.1082 11.1110 11.2861 11.2959 k =-0.3252 0.3118 0.6190 ( 3081 PWs) bands (ev): -23.2322 -23.2322 -17.0174 -17.0140 -16.8183 -16.8159 -16.7934 -16.7924 -6.1819 -6.1809 -3.9537 -3.9387 -3.7671 -3.7510 -3.5893 -3.5858 -0.8467 -0.8463 -0.3621 -0.3578 -0.1478 -0.1433 0.1336 0.1455 0.1793 0.1940 2.2574 2.2967 2.3610 2.3794 2.8853 2.9042 3.0199 3.1047 3.1755 3.2771 3.4001 3.4643 3.6662 3.7624 4.0408 4.1592 9.4561 9.4586 10.7519 10.7700 11.0937 11.0968 11.2896 11.2992 k =-0.3328 0.3191 0.6084 ( 3082 PWs) bands (ev): -23.2320 -23.2320 -17.0182 -17.0148 -16.8182 -16.8157 -16.7934 -16.7924 -6.1800 -6.1790 -3.9501 -3.9357 -3.7535 -3.7380 -3.5956 -3.5916 -0.8545 -0.8542 -0.3612 -0.3569 -0.1570 -0.1526 0.1278 0.1401 0.1793 0.1939 2.2569 2.2946 2.3642 2.3850 2.8885 2.8939 3.0321 3.1047 3.1831 3.2751 3.3961 3.4632 3.6571 3.7583 4.0420 4.1581 9.4625 9.4653 10.7677 10.7842 11.0789 11.0826 11.2927 11.3022 k =-0.3404 0.3263 0.5979 ( 3080 PWs) bands (ev): -23.2319 -23.2319 -17.0189 -17.0155 -16.8180 -16.8156 -16.7933 -16.7925 -6.1783 -6.1774 -3.9469 -3.9330 -3.7403 -3.7253 -3.6024 -3.5980 -0.8614 -0.8612 -0.3601 -0.3559 -0.1651 -0.1609 0.1226 0.1352 0.1794 0.1938 2.2569 2.2923 2.3678 2.3897 2.8831 2.8921 3.0435 3.1044 3.1915 3.2719 3.3932 3.4615 3.6494 3.7536 4.0437 4.1572 9.4677 9.4707 10.7839 10.7988 11.0642 11.0684 11.2955 11.3048 k =-0.3480 0.3336 0.5874 ( 3086 PWs) bands (ev): -23.2318 -23.2318 -17.0195 -17.0161 -16.8180 -16.8155 -16.7933 -16.7925 -6.1770 -6.1761 -3.9442 -3.9306 -3.7275 -3.7129 -3.6098 -3.6050 -0.8674 -0.8672 -0.3589 -0.3547 -0.1722 -0.1681 0.1180 0.1310 0.1796 0.1939 2.2572 2.2898 2.3713 2.3934 2.8742 2.8940 3.0538 3.1041 3.2002 3.2678 3.3915 3.4590 3.6431 3.7485 4.0457 4.1564 9.4719 9.4751 10.8000 10.8133 11.0497 11.0546 11.2978 11.3069 k =-0.3556 0.3409 0.5768 ( 3086 PWs) bands (ev): -23.2318 -23.2318 -17.0200 -17.0166 -16.8179 -16.8154 -16.7933 -16.7924 -6.1759 -6.1751 -3.9419 -3.9287 -3.7153 -3.7010 -3.6174 -3.6125 -0.8724 -0.8722 -0.3577 -0.3535 -0.1781 -0.1741 0.1141 0.1275 0.1799 0.1940 2.2578 2.2874 2.3748 2.3961 2.8666 2.8955 3.0627 3.1040 3.2087 3.2629 3.3910 3.4559 3.6385 3.7435 4.0476 4.1557 9.4751 9.4785 10.8154 10.8271 11.0360 11.0415 11.2997 11.3087 k =-0.3632 0.3482 0.5663 ( 3088 PWs) bands (ev): -23.2317 -23.2317 -17.0204 -17.0170 -16.8178 -16.8154 -16.7933 -16.7924 -6.1750 -6.1743 -3.9401 -3.9272 -3.7040 -3.6897 -3.6253 -3.6203 -0.8763 -0.8761 -0.3566 -0.3525 -0.1828 -0.1788 0.1111 0.1247 0.1802 0.1941 2.2586 2.2852 2.3781 2.3979 2.8603 2.8966 3.0698 3.1042 3.2167 3.2576 3.3914 3.4523 3.6353 3.7391 4.0493 4.1552 9.4775 9.4810 10.8295 10.8394 11.0235 11.0298 11.3012 11.3101 k =-0.3708 0.3555 0.5558 ( 3092 PWs) bands (ev): -23.2317 -23.2317 -17.0207 -17.0173 -16.8178 -16.8153 -16.7933 -16.7924 -6.1744 -6.1737 -3.9388 -3.9261 -3.6939 -3.6795 -3.6328 -3.6281 -0.8791 -0.8790 -0.3557 -0.3516 -0.1862 -0.1823 0.1088 0.1227 0.1804 0.1942 2.2594 2.2833 2.3807 2.3990 2.8557 2.8972 3.0748 3.1047 3.2240 3.2521 3.3923 3.4490 3.6334 3.7355 4.0507 4.1548 9.4792 9.4827 10.8413 10.8494 11.0132 11.0201 11.3022 11.3110 k =-0.3784 0.3628 0.5453 ( 3098 PWs) bands (ev): -23.2316 -23.2316 -17.0208 -17.0175 -16.8178 -16.8153 -16.7933 -16.7924 -6.1741 -6.1734 -3.9381 -3.9254 -3.6863 -3.6713 -3.6388 -3.6349 -0.8808 -0.8807 -0.3552 -0.3511 -0.1882 -0.1844 0.1075 0.1215 0.1805 0.1942 2.2600 2.2820 2.3825 2.3994 2.8529 2.8976 3.0778 3.1053 3.2301 3.2469 3.3931 3.4465 3.6323 3.7332 4.0515 4.1546 9.4802 9.4838 10.8493 10.8558 11.0062 11.0136 11.3029 11.3116 k =-0.3860 0.3701 0.5347 ( 3098 PWs) bands (ev): -23.2316 -23.2316 -17.0209 -17.0175 -16.8178 -16.8153 -16.7933 -16.7924 -6.1740 -6.1733 -3.9378 -3.9252 -3.6833 -3.6677 -3.6412 -3.6381 -0.8814 -0.8813 -0.3550 -0.3509 -0.1889 -0.1851 0.1070 0.1211 0.1805 0.1942 2.2603 2.2815 2.3831 2.3996 2.8520 2.8977 3.0787 3.1055 3.2332 3.2442 3.3935 3.4456 3.6320 3.7324 4.0518 4.1545 9.4805 9.4841 10.8523 10.8581 11.0038 11.0113 11.3031 11.3118 k =-0.3860 0.3701 0.5347 ( 3098 PWs) bands (ev): -23.2316 -23.2316 -17.0209 -17.0175 -16.8178 -16.8153 -16.7933 -16.7924 -6.1740 -6.1733 -3.9378 -3.9252 -3.6833 -3.6677 -3.6412 -3.6381 -0.8814 -0.8813 -0.3550 -0.3509 -0.1889 -0.1851 0.1070 0.1211 0.1805 0.1942 2.2603 2.2815 2.3831 2.3996 2.8520 2.8977 3.0787 3.1055 3.2332 3.2442 3.3935 3.4456 3.6320 3.7324 4.0518 4.1545 9.4805 9.4841 10.8523 10.8581 11.0038 11.0113 11.3031 11.3118 k =-0.3781 0.3625 0.5238 ( 3092 PWs) bands (ev): -23.2321 -23.2321 -17.0189 -17.0154 -16.8180 -16.8155 -16.7930 -16.7920 -6.1802 -6.1794 -3.9420 -3.9285 -3.6939 -3.6772 -3.6503 -3.6469 -0.8752 -0.8751 -0.3428 -0.3385 -0.1680 -0.1638 0.1134 0.1279 0.1903 0.2045 2.2487 2.2662 2.3713 2.3826 2.8457 2.8924 3.0691 3.0994 3.2333 3.2439 3.3923 3.4431 3.6342 3.7369 4.0813 4.1820 9.5063 9.5099 10.8418 10.8471 11.0130 11.0215 11.3040 11.3132 k =-0.3703 0.3549 0.5129 ( 3090 PWs) bands (ev): -23.2326 -23.2326 -17.0168 -17.0131 -16.8182 -16.8157 -16.7927 -16.7916 -6.1870 -6.1862 -3.9463 -3.9321 -3.7048 -3.6871 -3.6597 -3.6561 -0.8679 -0.8678 -0.3296 -0.3251 -0.1461 -0.1416 0.1203 0.1353 0.1995 0.2142 2.2372 2.2510 2.3588 2.3656 2.8404 2.8875 3.0592 3.0930 3.2320 3.2428 3.3925 3.4412 3.6370 3.7417 4.1094 4.2082 9.5309 9.5344 10.8307 10.8354 11.0231 11.0325 11.3052 11.3148 k =-0.3624 0.3474 0.5020 ( 3086 PWs) bands (ev): -23.2331 -23.2331 -17.0146 -17.0107 -16.8184 -16.8159 -16.7924 -16.7911 -6.1944 -6.1937 -3.9509 -3.9358 -3.7161 -3.6974 -3.6694 -3.6656 -0.8596 -0.8594 -0.3155 -0.3108 -0.1233 -0.1185 0.1278 0.1432 0.2081 0.2232 2.2259 2.2362 2.3460 2.3486 2.8359 2.8827 3.0490 3.0864 3.2295 3.2410 3.3936 3.4399 3.6404 3.7468 4.1361 4.2327 9.5535 9.5568 10.8195 10.8235 11.0341 11.0445 11.3068 11.3168 k =-0.3545 0.3398 0.4911 ( 3080 PWs) bands (ev): -23.2337 -23.2337 -17.0123 -17.0082 -16.8186 -16.8160 -16.7920 -16.7905 -6.2025 -6.2018 -3.9556 -3.9397 -3.7277 -3.7080 -3.6793 -3.6754 -0.8500 -0.8498 -0.3005 -0.2957 -0.0998 -0.0946 0.1360 0.1516 0.2160 0.2315 2.2149 2.2218 2.3319 2.3330 2.8322 2.8780 3.0387 3.0798 3.2261 3.2386 3.3954 3.4390 3.6444 3.7520 4.1611 4.2555 9.5730 9.5760 10.8087 10.8119 11.0459 11.0572 11.3089 11.3192 k =-0.3466 0.3323 0.4802 ( 3080 PWs) bands (ev): -23.2343 -23.2343 -17.0100 -17.0057 -16.8187 -16.8161 -16.7916 -16.7899 -6.2113 -6.2105 -3.9604 -3.9438 -3.7395 -3.7188 -3.6895 -3.6855 -0.8392 -0.8390 -0.2848 -0.2799 -0.0756 -0.0701 0.1448 0.1607 0.2231 0.2390 2.2041 2.2078 2.3156 2.3198 2.8290 2.8732 3.0283 3.0731 3.2221 3.2359 3.3976 3.4383 3.6490 3.7574 4.1842 4.2764 9.5884 9.5911 10.7991 10.8014 11.0585 11.0708 11.3115 11.3221 k =-0.3388 0.3247 0.4693 ( 3080 PWs) bands (ev): -23.2350 -23.2349 -17.0075 -17.0030 -16.8188 -16.8162 -16.7911 -16.7893 -6.2207 -6.2199 -3.9655 -3.9481 -3.7515 -3.7299 -3.6999 -3.6958 -0.8272 -0.8269 -0.2685 -0.2634 -0.0509 -0.0450 0.1542 0.1704 0.2295 0.2457 2.1936 2.1943 2.2999 2.3068 2.8264 2.8682 3.0179 3.0665 3.2177 3.2329 3.4000 3.4379 3.6541 3.7628 4.2053 4.2951 9.5984 9.6007 10.7917 10.7930 11.0719 11.0851 11.3148 11.3256 k =-0.3309 0.3172 0.4584 ( 3072 PWs) bands (ev): -23.2356 -23.2356 -17.0049 -17.0003 -16.8189 -16.8163 -16.7906 -16.7886 -6.2308 -6.2301 -3.9706 -3.9525 -3.7636 -3.7412 -3.7105 -3.7063 -0.8139 -0.8136 -0.2515 -0.2463 -0.0257 -0.0194 0.1645 0.1809 0.2351 0.2514 2.1815 2.1836 2.2848 2.2940 2.8240 2.8630 3.0076 3.0602 3.2131 3.2297 3.4026 3.4376 3.6597 3.7683 4.2244 4.3117 9.6018 9.6037 10.7874 10.7878 11.0861 11.1001 11.3189 11.3298 k =-0.3230 0.3096 0.4474 ( 3078 PWs) bands (ev): -23.2364 -23.2364 -17.0023 -16.9975 -16.8189 -16.8163 -16.7900 -16.7879 -6.2416 -6.2409 -3.9758 -3.9570 -3.7758 -3.7526 -3.7213 -3.7170 -0.7994 -0.7990 -0.2340 -0.2287 -0.0001 0.0065 0.1755 0.1920 0.2398 0.2563 2.1691 2.1739 2.2705 2.2815 2.8218 2.8573 2.9975 3.0541 3.2083 3.2264 3.4051 3.4373 3.6657 3.7737 4.2411 4.3259 9.5976 9.5989 10.7867 10.7873 11.1009 11.1158 11.3237 11.3347 k =-0.3151 0.3021 0.4365 ( 3078 PWs) bands (ev): -23.2371 -23.2371 -16.9996 -16.9947 -16.8188 -16.8162 -16.7894 -16.7871 -6.2531 -6.2524 -3.9812 -3.9617 -3.7881 -3.7640 -3.7322 -3.7279 -0.7836 -0.7831 -0.2160 -0.2106 0.0257 0.0327 0.1874 0.2040 0.2438 0.2603 2.1575 2.1647 2.2571 2.2695 2.8197 2.8511 2.9878 3.0484 3.2035 3.2230 3.4077 3.4371 3.6720 3.7791 4.2555 4.3377 9.5846 9.5854 10.7908 10.7924 11.1164 11.1322 11.3294 11.3404 k =-0.3072 0.2945 0.4256 ( 3070 PWs) bands (ev): -23.2379 -23.2379 -16.9968 -16.9918 -16.8186 -16.8160 -16.7887 -16.7863 -6.2652 -6.2645 -3.9866 -3.9665 -3.8003 -3.7756 -3.7433 -3.7389 -0.7666 -0.7660 -0.1976 -0.1922 0.0516 0.0589 0.2003 0.2169 0.2469 0.2634 2.1466 2.1560 2.2446 2.2582 2.8174 2.8444 2.9787 3.0432 3.1987 3.2197 3.4104 3.4370 3.6785 3.7845 4.2675 4.3470 9.5623 9.5627 10.8008 10.8032 11.1326 11.1492 11.3359 11.3468 k =-0.2994 0.2870 0.4147 ( 3070 PWs) bands (ev): -23.2387 -23.2387 -16.9940 -16.9888 -16.8184 -16.8158 -16.7880 -16.7855 -6.2780 -6.2773 -3.9920 -3.9713 -3.8126 -3.7871 -3.7544 -3.7500 -0.7486 -0.7479 -0.1788 -0.1734 0.0775 0.0850 0.2142 0.2307 0.2494 0.2658 2.1363 2.1479 2.2331 2.2475 2.8147 2.8370 2.9702 3.0384 3.1939 3.2163 3.4132 3.4368 3.6851 3.7897 4.2769 4.3537 9.5305 9.5306 10.8169 10.8201 11.1492 11.1667 11.3433 11.3540 k =-0.2915 0.2794 0.4038 ( 3070 PWs) bands (ev): -23.2396 -23.2396 -16.9911 -16.9859 -16.8180 -16.8154 -16.7873 -16.7847 -6.2914 -6.2907 -3.9975 -3.9762 -3.8247 -3.7986 -3.7656 -3.7612 -0.7295 -0.7286 -0.1597 -0.1544 0.1032 0.1108 0.2292 0.2454 0.2512 0.2675 2.1269 2.1404 2.2226 2.2376 2.8113 2.8289 2.9626 3.0342 3.1892 3.2129 3.4160 3.4368 3.6918 3.7948 4.2836 4.3577 9.4891 9.4895 10.8391 10.8429 11.1663 11.1846 11.3515 11.3618 k =-0.2836 0.2719 0.3929 ( 3072 PWs) bands (ev): -23.2405 -23.2405 -16.9882 -16.9828 -16.8176 -16.8150 -16.7865 -16.7838 -6.3054 -6.3048 -4.0030 -3.9812 -3.8368 -3.8101 -3.7769 -3.7725 -0.7096 -0.7085 -0.1404 -0.1351 0.1285 0.1360 0.2451 0.2519 0.2619 0.2691 2.1184 2.1337 2.2132 2.2285 2.8071 2.8202 2.9561 3.0306 3.1847 3.2096 3.4189 3.4368 3.6985 3.7996 4.2877 4.3590 9.4390 9.4398 10.8671 10.8713 11.1838 11.2030 11.3604 11.3702 k =-0.2757 0.2643 0.3820 ( 3070 PWs) bands (ev): -23.2414 -23.2414 -16.9852 -16.9798 -16.8171 -16.8145 -16.7857 -16.7830 -6.3199 -6.3193 -4.0085 -3.9862 -3.8487 -3.8215 -3.7882 -3.7838 -0.6889 -0.6876 -0.1207 -0.1156 0.1534 0.1605 0.2524 0.2590 0.2734 0.2792 2.1107 2.1277 2.2047 2.2204 2.8018 2.8108 2.9509 3.0275 3.1803 3.2063 3.4220 3.4368 3.7051 3.8042 4.2892 4.3577 9.3811 9.3821 10.9002 10.9046 11.2013 11.2217 11.3697 11.3787 k =-0.2679 0.2568 0.3710 ( 3070 PWs) bands (ev): -23.2424 -23.2424 -16.9823 -16.9768 -16.8165 -16.8138 -16.7849 -16.7821 -6.3350 -6.3345 -4.0140 -3.9912 -3.8605 -3.8328 -3.7995 -3.7951 -0.6678 -0.6662 -0.1008 -0.0959 0.1776 0.1840 0.2524 0.2637 0.2881 0.2978 2.1039 2.1225 2.1974 2.2132 2.7953 2.8007 2.9470 3.0249 3.1761 3.2031 3.4251 3.4370 3.7116 3.8086 4.2880 4.3536 9.3163 9.3175 10.9377 10.9420 11.2187 11.2406 11.3772 11.3853 k =-0.2600 0.2492 0.3601 ( 3066 PWs) bands (ev): -23.2434 -23.2434 -16.9793 -16.9737 -16.8157 -16.8131 -16.7840 -16.7812 -6.3506 -6.3501 -4.0194 -3.9963 -3.8721 -3.8440 -3.8108 -3.8064 -0.6463 -0.6444 -0.0805 -0.0759 0.2010 0.2066 0.2519 0.2638 0.3085 0.3178 2.0982 2.1183 2.1911 2.2070 2.7875 2.7898 2.9447 3.0229 3.1721 3.1999 3.4285 3.4373 3.7179 3.8126 4.2842 4.3468 9.2456 9.2469 10.9787 10.9827 11.2352 11.2596 11.3694 11.3823 k =-0.2521 0.2417 0.3492 ( 3062 PWs) bands (ev): -23.2444 -23.2444 -16.9762 -16.9706 -16.8149 -16.8123 -16.7832 -16.7803 -6.3666 -6.3661 -4.0247 -4.0013 -3.8835 -3.8550 -3.8220 -3.8177 -0.6248 -0.6224 -0.0598 -0.0555 0.2238 0.2282 0.2510 0.2627 0.3312 0.3391 2.0935 2.1150 2.1858 2.2018 2.7784 2.7784 2.9439 3.0213 3.1684 3.1967 3.4320 3.4377 3.7240 3.8164 4.2777 4.3373 9.1698 9.1712 11.0224 11.0256 11.2491 11.2782 11.3510 11.3657 k =-0.2442 0.2341 0.3383 ( 3060 PWs) bands (ev): -23.2454 -23.2454 -16.9732 -16.9675 -16.8140 -16.8113 -16.7823 -16.7794 -6.3830 -6.3825 -4.0300 -4.0062 -3.8946 -3.8658 -3.8332 -3.8289 -0.6034 -0.6006 -0.0386 -0.0348 0.2458 0.2483 0.2499 0.2619 0.3554 0.3616 2.0898 2.1128 2.1816 2.1976 2.7663 2.7680 2.9444 3.0202 3.1650 3.1935 3.4356 3.4382 3.7299 3.8199 4.2686 4.3252 9.0900 9.0913 11.0681 11.0697 11.2564 11.2949 11.3372 11.3455 k =-0.2363 0.2266 0.3274 ( 3052 PWs) bands (ev): -23.2465 -23.2465 -16.9702 -16.9645 -16.8130 -16.8103 -16.7814 -16.7785 -6.3997 -6.3993 -4.0351 -4.0112 -3.9055 -3.8765 -3.8443 -3.8400 -0.5826 -0.5792 -0.0168 -0.0135 0.2485 0.2571 0.2672 0.2713 0.3807 0.3851 2.0873 2.1118 2.1784 2.1946 2.7536 2.7565 2.9461 3.0194 3.1619 3.1903 3.4390 3.4394 3.7356 3.8230 4.2571 4.3106 9.0067 9.0081 11.1131 11.1149 11.2519 11.2993 11.3350 11.3357 k =-0.2285 0.2190 0.3165 ( 3052 PWs) bands (ev): -23.2476 -23.2476 -16.9672 -16.9615 -16.8119 -16.8091 -16.7805 -16.7776 -6.4167 -6.4164 -4.0402 -4.0161 -3.9162 -3.8870 -3.8552 -3.8511 -0.5625 -0.5586 0.0058 0.0084 0.2470 0.2556 0.2882 0.2905 0.4067 0.4094 2.0860 2.1119 2.1762 2.1925 2.7404 2.7441 2.9489 3.0189 3.1590 3.1870 3.4398 3.4433 3.7409 3.8258 4.2432 4.2936 8.9209 8.9222 11.1509 11.1618 11.2405 11.2801 11.3459 11.3467 k =-0.2206 0.2115 0.3056 ( 3048 PWs) bands (ev): -23.2487 -23.2487 -16.9641 -16.9585 -16.8107 -16.8079 -16.7796 -16.7767 -6.4340 -6.4336 -4.0451 -4.0209 -3.9265 -3.8972 -3.8661 -3.8619 -0.5435 -0.5389 0.0292 0.0311 0.2454 0.2534 0.3087 0.3101 0.4333 0.4342 2.0858 2.1132 2.1751 2.1916 2.7267 2.7308 2.9527 3.0187 3.1564 3.1835 3.4407 3.4473 3.7460 3.8282 4.2269 4.2741 8.8331 8.8343 11.1659 11.2061 11.2450 11.2553 11.3619 11.3649 k =-0.2127 0.2039 0.2947 ( 3048 PWs) bands (ev): -23.2498 -23.2498 -16.9612 -16.9555 -16.8094 -16.8066 -16.7786 -16.7759 -6.4514 -6.4511 -4.0499 -4.0256 -3.9365 -3.9072 -3.8768 -3.8727 -0.5258 -0.5206 0.0536 0.0548 0.2437 0.2510 0.3291 0.3296 0.4594 0.4600 2.0869 2.1158 2.1748 2.1918 2.7125 2.7168 2.9572 3.0187 3.1540 3.1799 3.4419 3.4514 3.7507 3.8303 4.2085 4.2525 8.7438 8.7450 11.1501 11.2142 11.2633 11.2762 11.3805 11.3843 k =-0.2048 0.1964 0.2837 ( 3054 PWs) bands (ev): -23.2509 -23.2509 -16.9582 -16.9526 -16.8081 -16.8053 -16.7777 -16.7750 -6.4689 -6.4686 -4.0545 -4.0303 -3.9462 -3.9169 -3.8873 -3.8832 -0.5097 -0.5039 0.0791 0.0794 0.2422 0.2486 0.3492 0.3493 0.4847 0.4868 2.0891 2.1196 2.1756 2.1930 2.6980 2.7022 2.9624 3.0189 3.1518 3.1761 3.4431 3.4555 3.7551 3.8319 4.1880 4.2286 8.6537 8.6548 11.1225 11.1852 11.3055 11.3154 11.4006 11.4042 k =-0.1969 0.1888 0.2728 ( 3058 PWs) bands (ev): -23.2520 -23.2520 -16.9553 -16.9497 -16.8067 -16.8038 -16.7767 -16.7741 -6.4864 -6.4861 -4.0590 -4.0349 -3.9556 -3.9264 -3.8976 -3.8936 -0.4954 -0.4889 0.1049 0.1055 0.2409 0.2465 0.3689 0.3695 0.5100 0.5135 2.0926 2.1247 2.1773 2.1954 2.6832 2.6872 2.9681 3.0191 3.1499 3.1721 3.4445 3.4597 3.7592 3.8332 4.1657 4.2029 8.5632 8.5642 11.0912 11.1526 11.3481 11.3545 11.4219 11.4245 k =-0.1891 0.1812 0.2619 ( 3056 PWs) bands (ev): -23.2532 -23.2532 -16.9524 -16.9469 -16.8052 -16.8023 -16.7757 -16.7732 -6.5039 -6.5036 -4.0634 -4.0395 -3.9645 -3.9356 -3.9077 -3.9037 -0.4829 -0.4758 0.1313 0.1326 0.2401 0.2449 0.3886 0.3897 0.5351 0.5399 2.0974 2.1311 2.1800 2.1988 2.6681 2.6719 2.9743 3.0195 3.1481 3.1678 3.4461 3.4639 3.7630 3.8341 4.1416 4.1753 8.4727 8.4737 11.0584 11.1187 11.3881 11.3906 11.4447 11.4452 k =-0.1812 0.1737 0.2510 ( 3056 PWs) bands (ev): -23.2543 -23.2543 -16.9496 -16.9441 -16.8037 -16.8008 -16.7748 -16.7724 -6.5212 -6.5210 -4.0676 -4.0439 -3.9731 -3.9444 -3.9175 -3.9136 -0.4723 -0.4647 0.1578 0.1596 0.2407 0.2444 0.4085 0.4098 0.5598 0.5658 2.1033 2.1387 2.1837 2.2033 2.6529 2.6563 2.9809 3.0199 3.1465 3.1631 3.4478 3.4680 3.7665 3.8346 4.1160 4.1462 8.3826 8.3835 11.0248 11.0841 11.4223 11.4241 11.4669 11.4688 k =-0.1733 0.1661 0.2401 ( 3068 PWs) bands (ev): -23.2554 -23.2554 -16.9468 -16.9415 -16.8021 -16.7992 -16.7738 -16.7715 -6.5385 -6.5383 -4.0716 -4.0484 -3.9812 -3.9530 -3.9271 -3.9233 -0.4637 -0.4556 0.1826 0.1842 0.2448 0.2468 0.4284 0.4301 0.5840 0.5911 2.1104 2.1475 2.1883 2.2088 2.6376 2.6406 2.9877 3.0203 3.1450 3.1581 3.4496 3.4720 3.7697 3.8348 4.0890 4.1155 8.2933 8.2941 10.9908 11.0490 11.4493 11.4548 11.4898 11.4937 k =-0.1654 0.1586 0.2292 ( 3072 PWs) bands (ev): -23.2565 -23.2565 -16.9441 -16.9389 -16.8005 -16.7976 -16.7728 -16.7707 -6.5555 -6.5553 -4.0755 -4.0527 -3.9889 -3.9612 -3.9363 -3.9326 -0.4570 -0.4486 0.2013 0.2014 0.2565 0.2573 0.4484 0.4503 0.6076 0.6158 2.1187 2.1574 2.1938 2.2154 2.6222 2.6248 2.9947 3.0206 3.1435 3.1526 3.4515 3.4760 3.7727 3.8346 4.0608 4.0837 8.2051 8.2058 10.9569 11.0139 11.4727 11.4803 11.5138 11.5179 k =-0.1576 0.1510 0.2183 ( 3074 PWs) bands (ev): -23.2576 -23.2576 -16.9415 -16.9363 -16.7990 -16.7959 -16.7718 -16.7699 -6.5721 -6.5720 -4.0792 -4.0570 -3.9961 -3.9691 -3.9453 -3.9416 -0.4520 -0.4433 0.2087 0.2099 0.2772 0.2806 0.4683 0.4706 0.6305 0.6397 2.1280 2.1684 2.2003 2.2229 2.6070 2.6091 3.0018 3.0208 3.1421 3.1467 3.4536 3.4798 3.7755 3.8341 4.0317 4.0508 8.1184 8.1190 10.9233 10.9787 11.4937 11.5018 11.5372 11.5404 k =-0.1497 0.1435 0.2073 ( 3066 PWs) bands (ev): -23.2587 -23.2587 -16.9389 -16.9339 -16.7974 -16.7943 -16.7709 -16.7691 -6.5885 -6.5884 -4.0828 -4.0613 -4.0028 -3.9766 -3.9539 -3.9503 -0.4486 -0.4398 0.2101 0.2117 0.3055 0.3104 0.4883 0.4908 0.6526 0.6627 2.1385 2.1803 2.2076 2.2314 2.5918 2.5936 3.0091 3.0209 3.1403 3.1407 3.4558 3.4835 3.7780 3.8333 4.0020 4.0172 8.0334 8.0340 10.8902 10.9439 11.5131 11.5211 11.5590 11.5611 k =-0.1418 0.1359 0.1964 ( 3064 PWs) bands (ev): -23.2597 -23.2597 -16.9364 -16.9316 -16.7958 -16.7927 -16.7699 -16.7682 -6.6044 -6.6043 -4.0862 -4.0656 -4.0090 -3.9837 -3.9621 -3.9587 -0.4467 -0.4379 0.2092 0.2108 0.3371 0.3429 0.5082 0.5110 0.6738 0.6847 2.1500 2.1932 2.2159 2.2407 2.5769 2.5783 3.0163 3.0208 3.1333 3.1392 3.4580 3.4871 3.7803 3.8321 3.9718 3.9830 7.9505 7.9511 10.8577 10.9097 11.5314 11.5389 11.5789 11.5801 k =-0.1339 0.1284 0.1855 ( 3060 PWs) bands (ev): -23.2607 -23.2607 -16.9340 -16.9294 -16.7942 -16.7912 -16.7689 -16.7674 -6.6198 -6.6197 -4.0895 -4.0698 -4.0147 -3.9905 -3.9700 -3.9666 -0.4460 -0.4373 0.2071 0.2086 0.3702 0.3766 0.5279 0.5310 0.6940 0.7056 2.1624 2.2067 2.2250 2.2508 2.5623 2.5632 3.0204 3.0234 3.1258 3.1377 3.4603 3.4904 3.7824 3.8305 3.9415 3.9485 7.8700 7.8705 10.8262 10.8761 11.5487 11.5557 11.5972 11.5977 k =-0.1260 0.1208 0.1746 ( 3065 PWs) bands (ev): -23.2617 -23.2617 -16.9317 -16.9272 -16.7927 -16.7896 -16.7679 -16.7667 -6.6347 -6.6346 -4.0926 -4.0741 -4.0199 -3.9970 -3.9775 -3.9742 -0.4464 -0.4379 0.2045 0.2057 0.4040 0.4107 0.5475 0.5508 0.7130 0.7254 2.1758 2.2209 2.2349 2.2615 2.5480 2.5485 3.0196 3.0304 3.1177 3.1361 3.4626 3.4935 3.7844 3.8283 3.9114 3.9139 7.7921 7.7925 10.7957 10.8433 11.5650 11.5715 11.6141 11.6142 k =-0.1182 0.1133 0.1637 ( 3053 PWs) bands (ev): -23.2627 -23.2627 -16.9295 -16.9252 -16.7912 -16.7882 -16.7670 -16.7659 -6.6490 -6.6489 -4.0956 -4.0782 -4.0246 -4.0030 -3.9845 -3.9814 -0.4477 -0.4394 0.2016 0.2026 0.4378 0.4448 0.5667 0.5704 0.7310 0.7439 2.1900 2.2355 2.2456 2.2727 2.5342 2.5343 3.0185 3.0372 3.1091 3.1344 3.4650 3.4965 3.7861 3.8253 3.8796 3.8822 7.7171 7.7175 10.7664 10.8117 11.5806 11.5865 11.6298 11.6300 k =-0.1103 0.1057 0.1528 ( 3053 PWs) bands (ev): -23.2636 -23.2636 -16.9274 -16.9233 -16.7898 -16.7868 -16.7660 -16.7651 -6.6626 -6.6626 -4.0985 -4.0823 -4.0289 -4.0087 -3.9910 -3.9881 -0.4496 -0.4417 0.1984 0.1993 0.4712 0.4784 0.5857 0.5896 0.7477 0.7611 2.2049 2.2504 2.2570 2.2844 2.5206 2.5209 3.0169 3.0436 3.1000 3.1325 3.4672 3.4991 3.7878 3.8199 3.8457 3.8556 7.6453 7.6457 10.7384 10.7812 11.5953 11.6006 11.6444 11.6447 k =-0.1024 0.0982 0.1419 ( 3045 PWs) bands (ev): -23.2644 -23.2644 -16.9254 -16.9216 -16.7884 -16.7855 -16.7651 -16.7643 -6.6756 -6.6755 -4.1012 -4.0863 -4.0327 -4.0141 -3.9971 -3.9944 -0.4522 -0.4447 0.1952 0.1959 0.5040 0.5111 0.6041 0.6084 0.7632 0.7769 2.2206 2.2652 2.2692 2.2963 2.5075 2.5082 3.0148 3.0493 3.0907 3.1305 3.4695 3.5015 3.7892 3.8070 3.8128 3.8372 7.5770 7.5774 10.7120 10.7521 11.6091 11.6140 11.6582 11.6586 k =-0.0945 0.0906 0.1310 ( 3053 PWs) bands (ev): -23.2652 -23.2652 -16.9235 -16.9199 -16.7871 -16.7843 -16.7642 -16.7636 -6.6877 -6.6877 -4.1037 -4.0902 -4.0361 -4.0191 -4.0027 -4.0003 -0.4551 -0.4480 0.1919 0.1924 0.5357 0.5427 0.6221 0.6267 0.7774 0.7912 2.2368 2.2796 2.2824 2.3083 2.4951 2.4961 3.0119 3.0538 3.0817 3.1284 3.4716 3.5035 3.7809 3.7845 3.7906 3.8291 7.5124 7.5128 10.6871 10.7245 11.6220 11.6264 11.6710 11.6714 k =-0.0867 0.0831 0.1200 ( 3059 PWs) bands (ev): -23.2660 -23.2660 -16.9218 -16.9184 -16.7859 -16.7832 -16.7633 -16.7628 -6.6991 -6.6991 -4.1061 -4.0939 -4.0391 -4.0238 -4.0078 -4.0056 -0.4582 -0.4516 0.1886 0.1890 0.5660 0.5729 0.6395 0.6443 0.7903 0.8041 2.2534 2.2930 2.2966 2.3202 2.4833 2.4847 3.0084 3.0548 3.0754 3.1263 3.4736 3.5052 3.7506 3.7593 3.7918 3.8250 7.4519 7.4522 10.6640 10.6986 11.6341 11.6380 11.6830 11.6834 k =-0.0788 0.0755 0.1091 ( 3055 PWs) bands (ev): -23.2667 -23.2667 -16.9201 -16.9170 -16.7848 -16.7822 -16.7625 -16.7621 -6.7097 -6.7097 -4.1083 -4.0975 -4.0417 -4.0282 -4.0123 -4.0105 -0.4615 -0.4554 0.1854 0.1857 0.5947 0.6012 0.6563 0.6613 0.8018 0.8155 2.2704 2.3061 2.3111 2.3318 2.4724 2.4742 3.0044 3.0492 3.0750 3.1242 3.4756 3.5066 3.7221 3.7345 3.7930 3.8219 7.3956 7.3959 10.6427 10.6743 11.6452 11.6486 11.6941 11.6945 k =-0.0709 0.0680 0.0982 ( 3057 PWs) bands (ev): -23.2674 -23.2674 -16.9186 -16.9158 -16.7837 -16.7813 -16.7617 -16.7614 -6.7193 -6.7193 -4.1104 -4.1008 -4.0441 -4.0322 -4.0164 -4.0149 -0.4647 -0.4592 0.1823 0.1826 0.6213 0.6276 0.6723 0.6774 0.8121 0.8254 2.2874 2.3189 2.3252 2.3430 2.4623 2.4645 2.9996 3.0394 3.0780 3.1221 3.4774 3.5076 3.6958 3.7109 3.7940 3.8192 7.3438 7.3441 10.6232 10.6519 11.6553 11.6584 11.7042 11.7046 k =-0.0630 0.0604 0.0873 ( 3051 PWs) bands (ev): -23.2680 -23.2680 -16.9172 -16.9147 -16.7828 -16.7805 -16.7610 -16.7608 -6.7281 -6.7281 -4.1122 -4.1039 -4.0461 -4.0359 -4.0199 -4.0187 -0.4678 -0.4629 0.1794 0.1796 0.6457 0.6516 0.6875 0.6927 0.8210 0.8338 2.3043 2.3314 2.3387 2.3536 2.4530 2.4557 2.9943 3.0283 3.0820 3.1201 3.4791 3.5082 3.6719 3.6892 3.7950 3.8168 7.2967 7.2970 10.6058 10.6315 11.6645 11.6672 11.7134 11.7137 k =-0.0551 0.0529 0.0764 ( 3051 PWs) bands (ev): -23.2685 -23.2685 -16.9160 -16.9138 -16.7819 -16.7799 -16.7603 -16.7602 -6.7359 -6.7359 -4.1138 -4.1067 -4.0479 -4.0392 -4.0230 -4.0221 -0.4708 -0.4664 0.1768 0.1769 0.6676 0.6729 0.7019 0.7069 0.8287 0.8407 2.3207 2.3432 2.3513 2.3633 2.4448 2.4479 2.9886 3.0170 3.0859 3.1181 3.4806 3.5081 3.6509 3.6693 3.7959 3.8145 7.2546 7.2549 10.5905 10.6130 11.6727 11.6750 11.7216 11.7218 k =-0.0473 0.0453 0.0655 ( 3043 PWs) bands (ev): -23.2690 -23.2690 -16.9149 -16.9129 -16.7811 -16.7793 -16.7597 -16.7596 -6.7427 -6.7427 -4.1152 -4.1092 -4.0494 -4.0422 -4.0256 -4.0249 -0.4734 -0.4696 0.1744 0.1745 0.6865 0.6915 0.7155 0.7201 0.8352 0.8462 2.3365 2.3542 2.3629 2.3719 2.4375 2.4410 2.9827 3.0058 3.0896 3.1162 3.4820 3.5074 3.6331 3.6517 3.7968 3.8124 7.2177 7.2179 10.5773 10.5967 11.6799 11.6818 11.7287 11.7290 k =-0.0394 0.0378 0.0546 ( 3051 PWs) bands (ev): -23.2694 -23.2694 -16.9139 -16.9123 -16.7804 -16.7789 -16.7592 -16.7592 -6.7485 -6.7485 -4.1163 -4.1115 -4.0506 -4.0448 -4.0277 -4.0273 -0.4757 -0.4726 0.1723 0.1724 0.7024 0.7070 0.7279 0.7319 0.8406 0.8503 2.3511 2.3641 2.3731 2.3794 2.4312 2.4351 2.9769 2.9953 3.0930 3.1144 3.4832 3.5060 3.6185 3.6363 3.7977 3.8104 7.1861 7.1863 10.5663 10.5825 11.6860 11.6876 11.7348 11.7350 k =-0.0315 0.0302 0.0437 ( 3055 PWs) bands (ev): -23.2697 -23.2697 -16.9131 -16.9118 -16.7798 -16.7786 -16.7588 -16.7588 -6.7533 -6.7533 -4.1172 -4.1134 -4.0516 -4.0471 -4.0294 -4.0292 -0.4776 -0.4751 0.1705 0.1706 0.7153 0.7193 0.7391 0.7423 0.8450 0.8532 2.3643 2.3727 2.3817 2.3854 2.4261 2.4302 2.9717 2.9857 3.0960 3.1126 3.4845 3.5038 3.6074 3.6234 3.7985 3.8085 7.1601 7.1602 10.5575 10.5705 11.6911 11.6923 11.7398 11.7400 k =-0.0236 0.0227 0.0327 ( 3063 PWs) bands (ev): -23.2700 -23.2700 -16.9124 -16.9114 -16.7793 -16.7784 -16.7584 -16.7584 -6.7570 -6.7570 -4.1178 -4.1150 -4.0522 -4.0490 -4.0308 -4.0306 -0.4791 -0.4772 0.1691 0.1692 0.7253 0.7285 0.7484 0.7508 0.8485 0.8550 2.3757 2.3798 2.3885 2.3899 2.4222 2.4261 2.9673 2.9774 3.0987 3.1108 3.4860 3.5011 3.5998 3.6127 3.7993 3.8067 7.1396 7.1397 10.5510 10.5608 11.6950 11.6959 11.7437 11.7438 k =-0.0158 0.0151 0.0218 ( 3057 PWs) bands (ev): -23.2701 -23.2701 -16.9119 -16.9112 -16.7789 -16.7783 -16.7582 -16.7582 -6.7597 -6.7597 -4.1181 -4.1163 -4.0526 -4.0504 -4.0317 -4.0316 -0.4800 -0.4788 0.1682 0.1682 0.7325 0.7348 0.7556 0.7571 0.8513 0.8558 2.3848 2.3855 2.3925 2.3931 2.4196 2.4230 2.9644 2.9709 3.1012 3.1091 3.4877 3.4981 3.5953 3.6045 3.8003 3.8052 7.1250 7.1251 10.5468 10.5534 11.6979 11.6985 11.7466 11.7466 k =-0.0079 0.0076 0.0109 ( 3061 PWs) bands (ev): -23.2703 -23.2703 -16.9115 -16.9111 -16.7786 -16.7783 -16.7580 -16.7580 -6.7613 -6.7613 -4.1182 -4.1172 -4.0526 -4.0515 -4.0323 -4.0322 -0.4805 -0.4799 0.1675 0.1676 0.7370 0.7383 0.7601 0.7609 0.8535 0.8557 2.3896 2.3912 2.3933 2.3953 2.4186 2.4205 2.9630 2.9663 3.1034 3.1073 3.4897 3.4950 3.5938 3.5985 3.8014 3.8038 7.1162 7.1162 10.5450 10.5482 11.6997 11.7000 11.7483 11.7483 k = 0.0000 0.0000 0.0000 ( 3061 PWs) bands (ev): -23.2703 -23.2703 -16.9112 -16.9112 -16.7784 -16.7784 -16.7580 -16.7580 -6.7618 -6.7618 -4.1179 -4.1179 -4.0522 -4.0522 -4.0325 -4.0325 -0.4804 -0.4804 0.1673 0.1673 0.7390 0.7390 0.7619 0.7619 0.8549 0.8549 2.3922 2.3922 2.3948 2.3948 2.4189 2.4189 2.9636 2.9636 3.1054 3.1054 3.4922 3.4922 3.5949 3.5949 3.8025 3.8025 7.1132 7.1132 10.5454 10.5454 11.7004 11.7004 11.7488 11.7488 k = 0.0000 0.0000 0.0000 ( 3061 PWs) bands (ev): -23.2703 -23.2703 -16.9112 -16.9112 -16.7784 -16.7784 -16.7580 -16.7580 -6.7618 -6.7618 -4.1179 -4.1179 -4.0522 -4.0522 -4.0325 -4.0325 -0.4804 -0.4804 0.1673 0.1673 0.7390 0.7390 0.7619 0.7619 0.8549 0.8549 2.3922 2.3922 2.3948 2.3948 2.4189 2.4189 2.9636 2.9636 3.1054 3.1054 3.4922 3.4922 3.5949 3.5949 3.8025 3.8025 7.1132 7.1132 10.5454 10.5454 11.7004 11.7004 11.7488 11.7488 k = 0.0106 0.0111 0.0000 ( 3053 PWs) bands (ev): -23.2702 -23.2702 -16.9114 -16.9114 -16.7785 -16.7785 -16.7580 -16.7580 -6.7612 -6.7612 -4.1176 -4.1176 -4.0518 -4.0518 -4.0320 -4.0320 -0.4804 -0.4804 0.1665 0.1665 0.7382 0.7382 0.7612 0.7612 0.8527 0.8527 2.3918 2.3918 2.3943 2.3943 2.4198 2.4198 2.9640 2.9640 3.1064 3.1064 3.4927 3.4927 3.5950 3.5950 3.8023 3.8023 7.1159 7.1159 10.5457 10.5457 11.6992 11.6992 11.7476 11.7476 k = 0.0213 0.0222 0.0000 ( 3045 PWs) bands (ev): -23.2701 -23.2701 -16.9118 -16.9118 -16.7786 -16.7786 -16.7581 -16.7581 -6.7592 -6.7592 -4.1168 -4.1168 -4.0504 -4.0504 -4.0305 -4.0305 -0.4802 -0.4802 0.1639 0.1639 0.7360 0.7360 0.7589 0.7589 0.8462 0.8462 2.3903 2.3903 2.3930 2.3930 2.4223 2.4223 2.9649 2.9649 3.1091 3.1091 3.4940 3.4940 3.5953 3.5953 3.8016 3.8016 7.1238 7.1238 10.5465 10.5465 11.6957 11.6957 11.7439 11.7439 k = 0.0319 0.0333 0.0000 ( 3045 PWs) bands (ev): -23.2699 -23.2699 -16.9126 -16.9126 -16.7788 -16.7788 -16.7583 -16.7583 -6.7559 -6.7559 -4.1155 -4.1155 -4.0482 -4.0482 -4.0281 -4.0281 -0.4799 -0.4799 0.1596 0.1596 0.7322 0.7322 0.7552 0.7552 0.8355 0.8355 2.3874 2.3874 2.3912 2.3912 2.4267 2.4267 2.9664 2.9664 3.1136 3.1136 3.4961 3.4961 3.5957 3.5957 3.8004 3.8004 7.1369 7.1369 10.5479 10.5479 11.6897 11.6897 11.7378 11.7378 k = 0.0426 0.0444 0.0000 ( 3025 PWs) bands (ev): -23.2695 -23.2695 -16.9136 -16.9136 -16.7791 -16.7791 -16.7586 -16.7586 -6.7513 -6.7513 -4.1138 -4.1138 -4.0450 -4.0450 -4.0248 -4.0248 -0.4796 -0.4796 0.1536 0.1536 0.7268 0.7268 0.7500 0.7500 0.8207 0.8207 2.3832 2.3832 2.3887 2.3887 2.4330 2.4330 2.9685 2.9685 3.1197 3.1197 3.4990 3.4990 3.5965 3.5965 3.7987 3.7987 7.1551 7.1551 10.5498 10.5498 11.6815 11.6815 11.7292 11.7292 k = 0.0532 0.0555 0.0000 ( 3034 PWs) bands (ev): -23.2691 -23.2691 -16.9149 -16.9149 -16.7794 -16.7794 -16.7590 -16.7590 -6.7455 -6.7455 -4.1115 -4.1115 -4.0410 -4.0410 -4.0205 -4.0205 -0.4792 -0.4792 0.1460 0.1460 0.7199 0.7199 0.7433 0.7433 0.8019 0.8019 2.3780 2.3780 2.3855 2.3855 2.4412 2.4412 2.9709 2.9709 3.1269 3.1269 3.5022 3.5022 3.5976 3.5976 3.7965 3.7965 7.1783 7.1783 10.5524 10.5524 11.6710 11.6710 11.7184 11.7184 k = 0.0638 0.0666 0.0000 ( 3034 PWs) bands (ev): -23.2686 -23.2686 -16.9165 -16.9165 -16.7799 -16.7799 -16.7594 -16.7594 -6.7384 -6.7384 -4.1088 -4.1088 -4.0361 -4.0361 -4.0153 -4.0153 -0.4788 -0.4788 0.1369 0.1369 0.7114 0.7114 0.7351 0.7351 0.7796 0.7796 2.3721 2.3721 2.3817 2.3817 2.4512 2.4512 2.9739 2.9739 3.1353 3.1353 3.5059 3.5059 3.5993 3.5993 3.7938 3.7938 7.2063 7.2063 10.5558 10.5558 11.6583 11.6583 11.7053 11.7053 k = 0.0745 0.0777 0.0000 ( 3042 PWs) bands (ev): -23.2680 -23.2680 -16.9184 -16.9184 -16.7804 -16.7804 -16.7599 -16.7599 -6.7300 -6.7300 -4.1056 -4.1056 -4.0303 -4.0303 -4.0092 -4.0092 -0.4785 -0.4785 0.1263 0.1263 0.7010 0.7010 0.7255 0.7255 0.7543 0.7543 2.3656 2.3656 2.3775 2.3775 2.4630 2.4630 2.9772 2.9772 3.1445 3.1445 3.5096 3.5096 3.6016 3.6016 3.7907 3.7907 7.2390 7.2390 10.5600 10.5600 11.6436 11.6436 11.6901 11.6901 k = 0.0851 0.0888 0.0000 ( 3042 PWs) bands (ev): -23.2673 -23.2673 -16.9205 -16.9205 -16.7810 -16.7810 -16.7605 -16.7605 -6.7205 -6.7205 -4.1020 -4.1020 -4.0236 -4.0236 -4.0023 -4.0023 -0.4782 -0.4782 0.1144 0.1144 0.6879 0.6879 0.7142 0.7142 0.7272 0.7272 2.3587 2.3587 2.3729 2.3729 2.4764 2.4764 2.9807 2.9807 3.1543 3.1543 3.5133 3.5133 3.6049 3.6049 3.7874 3.7874 7.2760 7.2760 10.5651 10.5651 11.6270 11.6270 11.6730 11.6730 k = 0.0957 0.0999 0.0000 ( 3046 PWs) bands (ev): -23.2665 -23.2665 -16.9229 -16.9229 -16.7817 -16.7817 -16.7611 -16.7611 -6.7098 -6.7098 -4.0980 -4.0980 -4.0161 -4.0161 -3.9945 -3.9945 -0.4781 -0.4781 0.1011 0.1011 0.6698 0.6698 0.6980 0.6980 0.7044 0.7044 2.3516 2.3516 2.3682 2.3682 2.4913 2.4913 2.9845 2.9845 3.1643 3.1643 3.5166 3.5166 3.6091 3.6091 3.7837 3.7837 7.3173 7.3173 10.5713 10.5713 11.6086 11.6086 11.6541 11.6541 k = 0.1064 0.1110 0.0000 ( 3046 PWs) bands (ev): -23.2657 -23.2657 -16.9255 -16.9255 -16.7824 -16.7824 -16.7618 -16.7618 -6.6980 -6.6980 -4.0936 -4.0936 -4.0079 -4.0079 -3.9858 -3.9858 -0.4783 -0.4783 0.0868 0.0868 0.6426 0.6426 0.6773 0.6773 0.6898 0.6898 2.3445 2.3445 2.3635 2.3635 2.5075 2.5075 2.9883 2.9883 3.1744 3.1744 3.5196 3.5196 3.6143 3.6143 3.7799 3.7799 7.3624 7.3624 10.5786 10.5786 11.5885 11.5885 11.6335 11.6335 k = 0.1170 0.1221 0.0000 ( 3050 PWs) bands (ev): -23.2648 -23.2648 -16.9284 -16.9284 -16.7833 -16.7833 -16.7626 -16.7626 -6.6851 -6.6851 -4.0888 -4.0888 -3.9988 -3.9988 -3.9764 -3.9764 -0.4787 -0.4787 0.0713 0.0713 0.6080 0.6080 0.6596 0.6596 0.6749 0.6749 2.3375 2.3375 2.3589 2.3589 2.5250 2.5250 2.9924 2.9924 3.1840 3.1840 3.5222 3.5222 3.6206 3.6206 3.7759 3.7759 7.4111 7.4111 10.5872 10.5872 11.5669 11.5669 11.6115 11.6115 k = 0.1277 0.1332 0.0000 ( 3050 PWs) bands (ev): -23.2638 -23.2638 -16.9314 -16.9314 -16.7841 -16.7841 -16.7634 -16.7634 -6.6712 -6.6712 -4.0837 -4.0837 -3.9890 -3.9890 -3.9662 -3.9662 -0.4796 -0.4796 0.0550 0.0550 0.5693 0.5693 0.6427 0.6427 0.6591 0.6591 2.3308 2.3308 2.3546 2.3546 2.5436 2.5436 2.9964 2.9964 3.1930 3.1930 3.5244 3.5244 3.6277 3.6277 3.7719 3.7719 7.4632 7.4632 10.5971 10.5971 11.5439 11.5439 11.5881 11.5881 k = 0.1383 0.1443 0.0000 ( 3050 PWs) bands (ev): -23.2627 -23.2627 -16.9347 -16.9347 -16.7850 -16.7850 -16.7643 -16.7643 -6.6564 -6.6564 -4.0782 -4.0782 -3.9784 -3.9784 -3.9553 -3.9553 -0.4810 -0.4810 0.0378 0.0378 0.5281 0.5281 0.6253 0.6253 0.6421 0.6421 2.3246 2.3246 2.3507 2.3507 2.5632 2.5632 3.0005 3.0005 3.2011 3.2011 3.5264 3.5264 3.6356 3.6356 3.7680 3.7680 7.5182 7.5182 10.6084 10.6084 11.5198 11.5198 11.5635 11.5635 k = 0.1489 0.1554 0.0000 ( 3050 PWs) bands (ev): -23.2616 -23.2616 -16.9381 -16.9381 -16.7860 -16.7860 -16.7653 -16.7653 -6.6406 -6.6406 -4.0725 -4.0725 -3.9672 -3.9672 -3.9437 -3.9437 -0.4829 -0.4829 0.0199 0.0199 0.4853 0.4853 0.6072 0.6072 0.6242 0.6242 2.3188 2.3188 2.3472 2.3472 2.5836 2.5836 3.0045 3.0045 3.2082 3.2082 3.5282 3.5282 3.6438 3.6438 3.7643 3.7643 7.5760 7.5760 10.6213 10.6213 11.4946 11.4946 11.5381 11.5381 k = 0.1596 0.1665 0.0000 ( 3046 PWs) bands (ev): -23.2604 -23.2604 -16.9417 -16.9417 -16.7870 -16.7870 -16.7663 -16.7663 -6.6240 -6.6240 -4.0664 -4.0664 -3.9553 -3.9553 -3.9315 -3.9315 -0.4855 -0.4855 0.0014 0.0014 0.4412 0.4412 0.5884 0.5884 0.6054 0.6054 2.3136 2.3136 2.3444 2.3444 2.6048 2.6048 3.0084 3.0084 3.2139 3.2139 3.5302 3.5302 3.6522 3.6522 3.7609 3.7609 7.6362 7.6362 10.6358 10.6358 11.4686 11.4686 11.5118 11.5118 k = 0.1702 0.1776 0.0000 ( 3050 PWs) bands (ev): -23.2592 -23.2592 -16.9454 -16.9454 -16.7881 -16.7881 -16.7673 -16.7673 -6.6066 -6.6066 -4.0602 -4.0602 -3.9429 -3.9429 -3.9187 -3.9187 -0.4889 -0.4889 -0.0175 -0.0175 0.3963 0.3963 0.5688 0.5688 0.5858 0.5858 2.3091 2.3091 2.3421 2.3421 2.6266 2.6266 3.0123 3.0123 3.2183 3.2183 3.5322 3.5322 3.6605 3.6605 3.7579 3.7579 7.6984 7.6984 10.6521 10.6521 11.4420 11.4420 11.4849 11.4849 k = 0.1809 0.1887 0.0000 ( 3058 PWs) bands (ev): -23.2579 -23.2579 -16.9492 -16.9492 -16.7892 -16.7892 -16.7684 -16.7684 -6.5886 -6.5886 -4.0537 -4.0537 -3.9299 -3.9299 -3.9054 -3.9054 -0.4932 -0.4932 -0.0369 -0.0369 0.3510 0.3510 0.5485 0.5485 0.5654 0.5654 2.3053 2.3053 2.3406 2.3406 2.6489 2.6489 3.0159 3.0159 3.2210 3.2210 3.5346 3.5346 3.6684 3.6684 3.7554 3.7554 7.7623 7.7623 10.6700 10.6700 11.4147 11.4147 11.4576 11.4576 k = 0.1915 0.1998 0.0000 ( 3058 PWs) bands (ev): -23.2566 -23.2566 -16.9531 -16.9531 -16.7903 -16.7903 -16.7695 -16.7695 -6.5699 -6.5699 -4.0470 -4.0470 -3.9164 -3.9164 -3.8916 -3.8916 -0.4986 -0.4986 -0.0565 -0.0565 0.3056 0.3056 0.5275 0.5275 0.5444 0.5444 2.3023 2.3023 2.3398 2.3398 2.6716 2.6716 3.0195 3.0195 3.2224 3.2224 3.5373 3.5373 3.6756 3.6756 3.7537 3.7537 7.8278 7.8278 10.6897 10.6897 11.3872 11.3872 11.4301 11.4301 k = 0.2021 0.2109 0.0000 ( 3078 PWs) bands (ev): -23.2553 -23.2553 -16.9571 -16.9571 -16.7915 -16.7915 -16.7706 -16.7706 -6.5506 -6.5506 -4.0402 -4.0402 -3.9026 -3.9026 -3.8774 -3.8774 -0.5051 -0.5051 -0.0763 -0.0763 0.2605 0.2605 0.5061 0.5061 0.5228 0.5228 2.3000 2.3000 2.3397 2.3397 2.6945 2.6945 3.0229 3.0229 3.2222 3.2222 3.5402 3.5402 3.6818 3.6818 3.7527 3.7527 7.8943 7.8943 10.7111 10.7111 11.3594 11.3594 11.4025 11.4025 k = 0.2128 0.2219 0.0000 ( 3086 PWs) bands (ev): -23.2540 -23.2540 -16.9612 -16.9612 -16.7927 -16.7927 -16.7717 -16.7717 -6.5309 -6.5309 -4.0333 -4.0333 -3.8883 -3.8883 -3.8628 -3.8628 -0.5128 -0.5128 -0.0961 -0.0961 0.2160 0.2160 0.4841 0.4841 0.5007 0.5007 2.2986 2.2986 2.3405 2.3405 2.7175 2.7175 3.0262 3.0262 3.2207 3.2207 3.5433 3.5433 3.6868 3.6868 3.7528 3.7528 7.9618 7.9618 10.7343 10.7343 11.3317 11.3317 11.3749 11.3749 k = 0.2234 0.2330 0.0000 ( 3086 PWs) bands (ev): -23.2526 -23.2526 -16.9653 -16.9653 -16.7939 -16.7939 -16.7729 -16.7729 -6.5107 -6.5107 -4.0262 -4.0262 -3.8737 -3.8737 -3.8479 -3.8479 -0.5218 -0.5218 -0.1160 -0.1160 0.1724 0.1724 0.4619 0.4619 0.4783 0.4783 2.2981 2.2981 2.3421 2.3421 2.7406 2.7406 3.0293 3.0293 3.2181 3.2181 3.5467 3.5467 3.6905 3.6905 3.7540 3.7540 8.0298 8.0298 10.7591 10.7591 11.3040 11.3040 11.3475 11.3475 k = 0.2340 0.2441 0.0000 ( 3078 PWs) bands (ev): -23.2512 -23.2512 -16.9694 -16.9694 -16.7951 -16.7951 -16.7741 -16.7741 -6.4903 -6.4903 -4.0191 -4.0191 -3.8589 -3.8589 -3.8327 -3.8327 -0.5322 -0.5322 -0.1357 -0.1357 0.1300 0.1300 0.4394 0.4394 0.4557 0.4557 2.2983 2.2983 2.3445 2.3445 2.7636 2.7636 3.0323 3.0323 3.2145 3.2145 3.5502 3.5502 3.6929 3.6929 3.7561 3.7561 8.0981 8.0981 10.7855 10.7855 11.2767 11.2767 11.3206 11.3206 k = 0.2447 0.2552 0.0000 ( 3094 PWs) bands (ev): -23.2498 -23.2498 -16.9736 -16.9736 -16.7963 -16.7963 -16.7753 -16.7753 -6.4696 -6.4696 -4.0119 -4.0119 -3.8438 -3.8438 -3.8174 -3.8174 -0.5441 -0.5441 -0.1553 -0.1553 0.0891 0.0891 0.4166 0.4166 0.4329 0.4329 2.2993 2.2993 2.3477 2.3477 2.7865 2.7865 3.0351 3.0351 3.2099 3.2099 3.5536 3.5536 3.6940 3.6940 3.7587 3.7587 8.1664 8.1664 10.8134 10.8134 11.2497 11.2497 11.2940 11.2940 k = 0.2553 0.2663 0.0000 ( 3094 PWs) bands (ev): -23.2484 -23.2484 -16.9777 -16.9777 -16.7975 -16.7975 -16.7764 -16.7764 -6.4488 -6.4488 -4.0048 -4.0048 -3.8287 -3.8287 -3.8019 -3.8019 -0.5576 -0.5576 -0.1746 -0.1746 0.0498 0.0498 0.3939 0.3939 0.4100 0.4100 2.3011 2.3011 2.3516 2.3516 2.8090 2.8090 3.0377 3.0377 3.2048 3.2048 3.5570 3.5570 3.6942 3.6942 3.7617 3.7617 8.2346 8.2346 10.8425 10.8425 11.2232 11.2232 11.2681 11.2681 k = 0.2660 0.2774 0.0000 ( 3086 PWs) bands (ev): -23.2470 -23.2470 -16.9818 -16.9818 -16.7987 -16.7987 -16.7776 -16.7776 -6.4280 -6.4280 -3.9977 -3.9977 -3.8135 -3.8135 -3.7864 -3.7864 -0.5725 -0.5725 -0.1936 -0.1936 0.0125 0.0125 0.3712 0.3712 0.3872 0.3872 2.3037 2.3037 2.3563 2.3563 2.8313 2.8313 3.0403 3.0403 3.1993 3.1993 3.5602 3.5602 3.6937 3.6937 3.7648 3.7648 8.3023 8.3023 10.8727 10.8727 11.1974 11.1974 11.2429 11.2429 k = 0.2766 0.2885 0.0000 ( 3078 PWs) bands (ev): -23.2456 -23.2456 -16.9858 -16.9858 -16.7999 -16.7999 -16.7788 -16.7788 -6.4072 -6.4072 -3.9906 -3.9906 -3.7983 -3.7983 -3.7709 -3.7709 -0.5888 -0.5888 -0.2121 -0.2121 -0.0228 -0.0228 0.3486 0.3486 0.3646 0.3646 2.3069 2.3069 2.3617 2.3617 2.8531 2.8531 3.0427 3.0427 3.1934 3.1934 3.5632 3.5632 3.6926 3.6926 3.7676 3.7676 8.3693 8.3693 10.9038 10.9038 11.1724 11.1724 11.2185 11.2185 k = 0.2872 0.2996 0.0000 ( 3086 PWs) bands (ev): -23.2443 -23.2443 -16.9898 -16.9898 -16.8011 -16.8011 -16.7800 -16.7800 -6.3866 -6.3866 -3.9837 -3.9837 -3.7832 -3.7832 -3.7555 -3.7555 -0.6065 -0.6065 -0.2302 -0.2302 -0.0560 -0.0560 0.3263 0.3263 0.3422 0.3422 2.3108 2.3108 2.3677 2.3677 2.8743 2.8743 3.0450 3.0450 3.1873 3.1873 3.5660 3.5660 3.6908 3.6908 3.7700 3.7700 8.4355 8.4355 10.9354 10.9354 11.1481 11.1481 11.1949 11.1949 k = 0.2979 0.3107 0.0000 ( 3078 PWs) bands (ev): -23.2429 -23.2429 -16.9936 -16.9936 -16.8023 -16.8023 -16.7811 -16.7811 -6.3662 -6.3662 -3.9768 -3.9768 -3.7682 -3.7682 -3.7403 -3.7403 -0.6254 -0.6254 -0.2478 -0.2478 -0.0870 -0.0870 0.3043 0.3043 0.3202 0.3202 2.3153 2.3153 2.3743 2.3743 2.8948 2.8948 3.0472 3.0472 3.1813 3.1813 3.5685 3.5685 3.6888 3.6888 3.7720 3.7720 8.5006 8.5006 10.9673 10.9673 11.1249 11.1249 11.1724 11.1724 k = 0.3085 0.3218 0.0000 ( 3078 PWs) bands (ev): -23.2416 -23.2416 -16.9974 -16.9974 -16.8034 -16.8034 -16.7822 -16.7822 -6.3461 -6.3461 -3.9702 -3.9702 -3.7535 -3.7535 -3.7253 -3.7253 -0.6454 -0.6454 -0.2648 -0.2648 -0.1158 -0.1158 0.2828 0.2828 0.2987 0.2987 2.3202 2.3202 2.3814 2.3814 2.9146 2.9146 3.0494 3.0494 3.1753 3.1753 3.5707 3.5707 3.6863 3.6863 3.7734 3.7734 8.5644 8.5644 10.9989 10.9989 11.1027 11.1027 11.1509 11.1509 k = 0.3191 0.3329 0.0000 ( 3082 PWs) bands (ev): -23.2404 -23.2404 -17.0011 -17.0011 -16.8046 -16.8046 -16.7833 -16.7833 -6.3264 -6.3264 -3.9637 -3.9637 -3.7391 -3.7391 -3.7106 -3.7106 -0.6661 -0.6661 -0.2811 -0.2811 -0.1426 -0.1426 0.2618 0.2618 0.2777 0.2777 2.3257 2.3257 2.3890 2.3890 2.9336 2.9336 3.0515 3.0515 3.1695 3.1695 3.5726 3.5726 3.6835 3.6835 3.7741 3.7741 8.6267 8.6267 11.0298 11.0298 11.0817 11.0817 11.1307 11.1307 k = 0.3298 0.3440 0.0000 ( 3082 PWs) bands (ev): -23.2391 -23.2391 -17.0046 -17.0046 -16.8056 -16.8056 -16.7843 -16.7843 -6.3073 -6.3073 -3.9575 -3.9575 -3.7250 -3.7250 -3.6962 -3.6962 -0.6873 -0.6873 -0.2968 -0.2968 -0.1673 -0.1673 0.2415 0.2415 0.2573 0.2573 2.3315 2.3315 2.3969 2.3969 2.9516 2.9516 3.0537 3.0537 3.1640 3.1640 3.5743 3.5743 3.6803 3.6803 3.7743 3.7743 8.6873 8.6873 11.0552 11.0552 11.0659 11.0659 11.1122 11.1122 k = 0.3404 0.3551 0.0000 ( 3086 PWs) bands (ev): -23.2380 -23.2380 -17.0080 -17.0080 -16.8067 -16.8067 -16.7854 -16.7854 -6.2888 -6.2888 -3.9515 -3.9515 -3.7114 -3.7114 -3.6823 -3.6823 -0.7088 -0.7088 -0.3117 -0.3117 -0.1900 -0.1900 0.2218 0.2218 0.2377 0.2377 2.3376 2.3376 2.4051 2.4051 2.9684 2.9684 3.0560 3.0560 3.1589 3.1589 3.5758 3.5758 3.6769 3.6769 3.7739 3.7739 8.7460 8.7460 11.0413 11.0413 11.0823 11.0823 11.1020 11.1020 k = 0.3511 0.3662 0.0000 ( 3078 PWs) bands (ev): -23.2368 -23.2368 -17.0112 -17.0112 -16.8077 -16.8077 -16.7863 -16.7863 -6.2710 -6.2710 -3.9457 -3.9457 -3.6982 -3.6982 -3.6689 -3.6689 -0.7302 -0.7302 -0.3258 -0.3258 -0.2109 -0.2109 0.2030 0.2030 0.2189 0.2189 2.3439 2.3439 2.4135 2.4135 2.9840 2.9840 3.0585 3.0585 3.1542 3.1542 3.5771 3.5771 3.6732 3.6732 3.7730 3.7730 8.8026 8.8026 11.0238 11.0238 11.0727 11.0727 11.1224 11.1224 k = 0.3617 0.3773 0.0000 ( 3086 PWs) bands (ev): -23.2358 -23.2358 -17.0142 -17.0142 -16.8086 -16.8086 -16.7872 -16.7872 -6.2539 -6.2539 -3.9403 -3.9403 -3.6857 -3.6857 -3.6561 -3.6561 -0.7513 -0.7513 -0.3392 -0.3392 -0.2302 -0.2302 0.1851 0.1851 0.2010 0.2010 2.3503 2.3503 2.4219 2.4219 2.9981 2.9981 3.0613 3.0613 3.1500 3.1500 3.5782 3.5782 3.6692 3.6692 3.7715 3.7715 8.8569 8.8569 11.0073 11.0073 11.0577 11.0577 11.1478 11.1478 k = 0.3723 0.3884 0.0000 ( 3086 PWs) bands (ev): -23.2347 -23.2347 -17.0171 -17.0171 -16.8095 -16.8095 -16.7881 -16.7881 -6.2377 -6.2377 -3.9352 -3.9352 -3.6737 -3.6737 -3.6440 -3.6440 -0.7718 -0.7718 -0.3516 -0.3516 -0.2477 -0.2477 0.1682 0.1682 0.1840 0.1840 2.3568 2.3568 2.4304 2.4304 3.0104 3.0104 3.0645 3.0645 3.1463 3.1463 3.5791 3.5791 3.6650 3.6650 3.7696 3.7696 8.9086 8.9086 10.9920 10.9920 11.0433 11.0433 11.1718 11.1718 k = 0.3830 0.3995 0.0000 ( 3086 PWs) bands (ev): -23.2338 -23.2338 -17.0198 -17.0198 -16.8103 -16.8103 -16.7889 -16.7889 -6.2225 -6.2225 -3.9304 -3.9304 -3.6625 -3.6625 -3.6325 -3.6325 -0.7914 -0.7914 -0.3632 -0.3632 -0.2638 -0.2638 0.1523 0.1523 0.1682 0.1682 2.3632 2.3632 2.4388 2.4388 3.0208 3.0208 3.0684 3.0684 3.1434 3.1434 3.5800 3.5800 3.6607 3.6607 3.7674 3.7674 8.9576 8.9576 10.9779 10.9779 11.0300 11.0300 11.1939 11.1939 k = 0.3936 0.4106 0.0000 ( 3094 PWs) bands (ev): -23.2329 -23.2329 -17.0223 -17.0223 -16.8111 -16.8111 -16.7897 -16.7897 -6.2083 -6.2083 -3.9260 -3.9260 -3.6520 -3.6520 -3.6218 -3.6218 -0.8100 -0.8100 -0.3739 -0.3739 -0.2783 -0.2783 0.1375 0.1375 0.1534 0.1534 2.3695 2.3695 2.4469 2.4469 3.0291 3.0291 3.0726 3.0726 3.1412 3.1412 3.5807 3.5807 3.6562 3.6562 3.7650 3.7650 9.0035 9.0035 10.9650 10.9650 11.0178 11.0178 11.2137 11.2137 k = 0.4043 0.4217 0.0000 ( 3086 PWs) bands (ev): -23.2321 -23.2321 -17.0245 -17.0245 -16.8118 -16.8118 -16.7904 -16.7904 -6.1952 -6.1952 -3.9220 -3.9220 -3.6423 -3.6423 -3.6120 -3.6120 -0.8273 -0.8273 -0.3837 -0.3837 -0.2914 -0.2914 0.1240 0.1240 0.1399 0.1399 2.3755 2.3755 2.4547 2.4547 3.0354 3.0354 3.0772 3.0772 3.1399 3.1399 3.5815 3.5815 3.6518 3.6518 3.7624 3.7624 9.0462 9.0462 10.9534 10.9534 11.0067 11.0067 11.2313 11.2313 k = 0.4149 0.4328 0.0000 ( 3074 PWs) bands (ev): -23.2314 -23.2314 -17.0266 -17.0266 -16.8125 -16.8125 -16.7910 -16.7910 -6.1833 -6.1833 -3.9183 -3.9183 -3.6335 -3.6335 -3.6030 -3.6030 -0.8433 -0.8433 -0.3924 -0.3924 -0.3032 -0.3032 0.1116 0.1116 0.1276 0.1276 2.3813 2.3813 2.4621 2.4621 3.0402 3.0402 3.0817 3.0817 3.1396 3.1396 3.5822 3.5822 3.6476 3.6476 3.7598 3.7598 9.0853 9.0853 10.9430 10.9430 10.9969 10.9969 11.2466 11.2466 k = 0.4255 0.4439 0.0000 ( 3066 PWs) bands (ev): -23.2307 -23.2307 -17.0284 -17.0284 -16.8130 -16.8130 -16.7916 -16.7916 -6.1727 -6.1727 -3.9151 -3.9151 -3.6256 -3.6256 -3.5950 -3.5950 -0.8576 -0.8576 -0.4002 -0.4002 -0.3135 -0.3135 0.1006 0.1006 0.1167 0.1167 2.3866 2.3866 2.4689 2.4689 3.0437 3.0437 3.0855 3.0855 3.1402 3.1402 3.5828 3.5828 3.6434 3.6434 3.7573 3.7573 9.1206 9.1206 10.9339 10.9339 10.9883 10.9883 11.2597 11.2597 k = 0.4362 0.4550 0.0000 ( 3078 PWs) bands (ev): -23.2302 -23.2302 -17.0300 -17.0300 -16.8135 -16.8135 -16.7921 -16.7921 -6.1633 -6.1633 -3.9123 -3.9123 -3.6187 -3.6187 -3.5879 -3.5879 -0.8703 -0.8703 -0.4070 -0.4070 -0.3225 -0.3225 0.0910 0.0910 0.1070 0.1070 2.3913 2.3913 2.4749 2.4749 3.0462 3.0462 3.0884 3.0884 3.1416 3.1416 3.5834 3.5834 3.6394 3.6394 3.7547 3.7547 9.1518 9.1518 10.9260 10.9260 10.9808 10.9808 11.2707 11.2707 k = 0.4468 0.4661 0.0000 ( 3090 PWs) bands (ev): -23.2297 -23.2297 -17.0313 -17.0313 -16.8140 -16.8140 -16.7925 -16.7925 -6.1553 -6.1553 -3.9099 -3.9099 -3.6127 -3.6127 -3.5819 -3.5819 -0.8811 -0.8811 -0.4128 -0.4128 -0.3302 -0.3302 0.0828 0.0828 0.0988 0.0988 2.3954 2.3954 2.4803 2.4803 3.0481 3.0481 3.0904 3.0904 3.1436 3.1436 3.5840 3.5840 3.6357 3.6357 3.7524 3.7524 9.1788 9.1788 10.9193 10.9193 10.9744 10.9744 11.2797 11.2797 k = 0.4574 0.4772 0.0000 ( 3098 PWs) bands (ev): -23.2293 -23.2293 -17.0325 -17.0325 -16.8143 -16.8143 -16.7929 -16.7929 -6.1487 -6.1487 -3.9079 -3.9079 -3.6079 -3.6079 -3.5769 -3.5769 -0.8901 -0.8901 -0.4176 -0.4176 -0.3364 -0.3364 0.0760 0.0760 0.0920 0.0920 2.3989 2.3989 2.4848 2.4848 3.0495 3.0495 3.0917 3.0917 3.1458 3.1458 3.5845 3.5845 3.6325 3.6325 3.7504 3.7504 9.2011 9.2011 10.9139 10.9139 10.9693 10.9693 11.2868 11.2868 k = 0.4681 0.4883 0.0000 ( 3098 PWs) bands (ev): -23.2290 -23.2290 -17.0333 -17.0333 -16.8146 -16.8146 -16.7931 -16.7931 -6.1435 -6.1435 -3.9063 -3.9063 -3.6040 -3.6040 -3.5729 -3.5729 -0.8972 -0.8972 -0.4213 -0.4213 -0.3413 -0.3413 0.0706 0.0706 0.0867 0.0867 2.4017 2.4017 2.4884 2.4884 3.0506 3.0506 3.0924 3.0924 3.1479 3.1479 3.5850 3.5850 3.6299 3.6299 3.7488 3.7488 9.2188 9.2188 10.9097 10.9097 10.9653 10.9653 11.2923 11.2923 k = 0.4787 0.4994 0.0000 ( 3090 PWs) bands (ev): -23.2287 -23.2287 -17.0339 -17.0339 -16.8148 -16.8148 -16.7933 -16.7933 -6.1398 -6.1398 -3.9052 -3.9052 -3.6012 -3.6012 -3.5701 -3.5701 -0.9023 -0.9023 -0.4239 -0.4239 -0.3448 -0.3448 0.0668 0.0668 0.0829 0.0829 2.4037 2.4037 2.4910 2.4910 3.0513 3.0513 3.0928 3.0928 3.1496 3.1496 3.5855 3.5855 3.6280 3.6280 3.7477 3.7477 9.2315 9.2315 10.9067 10.9067 10.9624 10.9624 11.2962 11.2962 k = 0.4894 0.5105 0.0000 ( 3090 PWs) bands (ev): -23.2286 -23.2286 -17.0343 -17.0343 -16.8149 -16.8149 -16.7934 -16.7934 -6.1375 -6.1375 -3.9046 -3.9046 -3.5996 -3.5996 -3.5684 -3.5684 -0.9053 -0.9053 -0.4255 -0.4255 -0.3469 -0.3469 0.0645 0.0645 0.0807 0.0807 2.4050 2.4050 2.4926 2.4926 3.0517 3.0517 3.0930 3.0930 3.1507 3.1507 3.5858 3.5858 3.6268 3.6268 3.7470 3.7470 9.2392 9.2392 10.9049 10.9049 10.9607 10.9607 11.2985 11.2985 k = 0.5000 0.5216 0.0000 ( 3090 PWs) bands (ev): -23.2286 -23.2286 -17.0344 -17.0344 -16.8150 -16.8150 -16.7935 -16.7935 -6.1368 -6.1368 -3.9044 -3.9044 -3.5990 -3.5990 -3.5679 -3.5679 -0.9064 -0.9064 -0.4261 -0.4261 -0.3476 -0.3476 0.0638 0.0638 0.0799 0.0799 2.4054 2.4054 2.4931 2.4931 3.0518 3.0518 3.0931 3.0931 3.1510 3.1510 3.5859 3.5859 3.6263 3.6263 3.7467 3.7467 9.2418 9.2418 10.9043 10.9043 10.9601 10.9601 11.2992 11.2992 k = 0.5000 0.5216 0.0000 ( 3090 PWs) bands (ev): -23.2286 -23.2286 -17.0344 -17.0344 -16.8150 -16.8150 -16.7935 -16.7935 -6.1368 -6.1368 -3.9044 -3.9044 -3.5990 -3.5990 -3.5679 -3.5679 -0.9064 -0.9064 -0.4261 -0.4261 -0.3476 -0.3476 0.0638 0.0638 0.0799 0.0799 2.4054 2.4054 2.4931 2.4931 3.0518 3.0518 3.0931 3.0931 3.1510 3.1510 3.5859 3.5859 3.6263 3.6263 3.7467 3.7467 9.2418 9.2418 10.9043 10.9043 10.9601 10.9601 11.2992 11.2992 k = 0.4924 0.5289 0.0105 ( 3090 PWs) bands (ev): -23.2286 -23.2286 -17.0345 -17.0343 -16.8151 -16.8149 -16.7935 -16.7935 -6.1369 -6.1369 -3.9049 -3.9041 -3.5998 -3.5989 -3.5683 -3.5682 -0.9063 -0.9063 -0.4260 -0.4257 -0.3469 -0.3467 0.0636 0.0648 0.0798 0.0809 2.3996 2.4100 2.4862 2.4989 3.0361 3.0599 3.0840 3.1095 3.1507 3.1509 3.5733 3.5855 3.6233 3.6410 3.7338 3.7634 9.2429 9.2432 10.9038 10.9047 10.9601 10.9603 11.2990 11.2996 k = 0.4848 0.5361 0.0211 ( 3088 PWs) bands (ev): -23.2286 -23.2286 -17.0344 -17.0339 -16.8152 -16.8148 -16.7935 -16.7935 -6.1374 -6.1373 -3.9057 -3.9040 -3.6013 -3.5996 -3.5694 -3.5693 -0.9062 -0.9062 -0.4255 -0.4249 -0.3448 -0.3442 0.0642 0.0668 0.0807 0.0830 2.3928 2.4133 2.4785 2.5032 3.0193 3.0489 3.0939 3.1266 3.1497 3.1503 3.5547 3.5765 3.6253 3.6633 3.7244 3.7835 9.2465 9.2472 10.9034 10.9052 10.9601 10.9604 11.2989 11.3001 k = 0.4772 0.5434 0.0316 ( 3076 PWs) bands (ev): -23.2287 -23.2287 -17.0342 -17.0335 -16.8154 -16.8147 -16.7935 -16.7935 -6.1381 -6.1379 -3.9067 -3.9042 -3.6036 -3.6009 -3.5712 -3.5710 -0.9060 -0.9060 -0.4245 -0.4237 -0.3411 -0.3403 0.0655 0.0696 0.0826 0.0863 2.3851 2.4147 2.4705 2.5059 3.0023 3.0324 3.1093 3.1432 3.1485 3.1492 3.5351 3.5639 3.6275 3.6888 3.7181 3.8066 9.2526 9.2536 10.9029 10.9056 10.9602 10.9607 11.2989 11.3008 k = 0.4696 0.5507 0.0421 ( 3076 PWs) bands (ev): -23.2288 -23.2288 -17.0338 -17.0328 -16.8155 -16.8146 -16.7936 -16.7935 -6.1391 -6.1388 -3.9080 -3.9046 -3.6066 -3.6030 -3.5738 -3.5735 -0.9057 -0.9057 -0.4231 -0.4219 -0.3359 -0.3348 0.0671 0.0729 0.0856 0.0910 2.3768 2.4139 2.4626 2.5069 2.9854 3.0154 3.1251 3.1458 3.1477 3.1596 3.5159 3.5497 3.6290 3.7122 3.7180 3.8319 9.2611 9.2625 10.9023 10.9059 10.9604 10.9611 11.2990 11.3015 k = 0.4620 0.5580 0.0526 ( 3080 PWs) bands (ev): -23.2289 -23.2289 -17.0333 -17.0321 -16.8157 -16.8145 -16.7936 -16.7936 -6.1404 -6.1401 -3.9096 -3.9053 -3.6103 -3.6057 -3.5771 -3.5766 -0.9053 -0.9053 -0.4210 -0.4195 -0.3292 -0.3279 0.0691 0.0763 0.0902 0.0969 2.3678 2.4102 2.4555 2.5059 2.9690 2.9990 3.1406 3.1430 3.1459 3.1744 3.4976 3.5351 3.6299 3.7114 3.7452 3.8591 9.2720 9.2737 10.9015 10.9059 10.9610 10.9619 11.2992 11.3023 k = 0.4544 0.5653 0.0632 ( 3084 PWs) bands (ev): -23.2290 -23.2290 -17.0326 -17.0312 -16.8158 -16.8145 -16.7937 -16.7936 -6.1420 -6.1416 -3.9113 -3.9063 -3.6147 -3.6091 -3.5810 -3.5804 -0.9047 -0.9047 -0.4183 -0.4166 -0.3211 -0.3195 0.0713 0.0797 0.0962 0.1040 2.3583 2.4034 2.4494 2.5029 2.9531 2.9835 3.1395 3.1433 3.1558 3.1880 3.4804 3.5208 3.6301 3.7106 3.7746 3.8876 9.2852 9.2872 10.9003 10.9054 10.9619 10.9631 11.2994 11.3031 k = 0.4468 0.5726 0.0737 ( 3076 PWs) bands (ev): -23.2292 -23.2292 -17.0318 -17.0302 -16.8160 -16.8145 -16.7937 -16.7936 -6.1439 -6.1435 -3.9134 -3.9074 -3.6198 -3.6132 -3.5856 -3.5847 -0.9038 -0.9038 -0.4149 -0.4128 -0.3115 -0.3097 0.0739 0.0831 0.1035 0.1122 2.3483 2.3939 2.4443 2.4979 2.9380 2.9693 3.1353 3.1406 3.1700 3.2004 3.4645 3.5073 3.6300 3.7108 3.8050 3.9171 9.3006 9.3029 10.8985 10.9043 10.9634 10.9649 11.2997 11.3040 k = 0.4392 0.5799 0.0842 ( 3076 PWs) bands (ev): -23.2294 -23.2294 -17.0309 -17.0290 -16.8162 -16.8145 -16.7937 -16.7936 -6.1462 -6.1457 -3.9156 -3.9088 -3.6256 -3.6179 -3.5908 -3.5897 -0.9027 -0.9027 -0.4107 -0.4083 -0.3005 -0.2985 0.0767 0.0867 0.1119 0.1212 2.3380 2.3824 2.4392 2.4909 2.9236 2.9562 3.1305 3.1376 3.1832 3.2112 3.4498 3.4949 3.6297 3.7118 3.8359 3.9472 9.3181 9.3207 10.8961 10.9023 10.9655 10.9675 11.3000 11.3050 k = 0.4316 0.5871 0.0947 ( 3078 PWs) bands (ev): -23.2296 -23.2296 -17.0298 -17.0278 -16.8164 -16.8145 -16.7937 -16.7935 -6.1488 -6.1483 -3.9181 -3.9105 -3.6321 -3.6233 -3.5966 -3.5952 -0.9013 -0.9013 -0.4056 -0.4030 -0.2882 -0.2859 0.0798 0.0906 0.1209 0.1310 2.3274 2.3695 2.4339 2.4820 2.9102 2.9445 3.1249 3.1341 3.1952 3.2204 3.4367 3.4838 3.6294 3.7133 3.8672 3.9777 9.3375 9.3403 10.8928 10.8994 10.9684 10.9710 11.3004 11.3059 k = 0.4240 0.5944 0.1053 ( 3082 PWs) bands (ev): -23.2299 -23.2299 -17.0287 -17.0263 -16.8166 -16.8146 -16.7937 -16.7935 -6.1519 -6.1513 -3.9208 -3.9124 -3.6392 -3.6293 -3.6029 -3.6012 -0.8995 -0.8994 -0.3996 -0.3967 -0.2746 -0.2721 0.0833 0.0947 0.1306 0.1413 2.3164 2.3557 2.4277 2.4713 2.8978 2.9341 3.1186 3.1302 3.2058 3.2280 3.4250 3.4741 3.6291 3.7154 3.8987 4.0082 9.3586 9.3617 10.8886 10.8954 10.9721 10.9754 11.3007 11.3068 k = 0.4164 0.6017 0.1158 ( 3086 PWs) bands (ev): -23.2302 -23.2302 -17.0273 -17.0248 -16.8168 -16.8147 -16.7937 -16.7933 -6.1554 -6.1548 -3.9238 -3.9145 -3.6470 -3.6359 -3.6097 -3.6077 -0.8972 -0.8971 -0.3926 -0.3895 -0.2597 -0.2570 0.0872 0.0992 0.1405 0.1518 2.3054 2.3413 2.4207 2.4591 2.8864 2.9249 3.1117 3.1260 3.2149 3.2341 3.4150 3.4658 3.6289 3.7181 3.9302 4.0386 9.3812 9.3845 10.8834 10.8902 10.9767 10.9807 11.3011 11.3078 k = 0.4088 0.6090 0.1263 ( 3084 PWs) bands (ev): -23.2305 -23.2305 -17.0259 -17.0232 -16.8170 -16.8148 -16.7937 -16.7932 -6.1593 -6.1587 -3.9270 -3.9169 -3.6553 -3.6431 -3.6170 -3.6147 -0.8943 -0.8942 -0.3847 -0.3813 -0.2437 -0.2406 0.0915 0.1040 0.1507 0.1626 2.2942 2.3265 2.4127 2.4456 2.8762 2.9168 3.1042 3.1214 3.2223 3.2387 3.4069 3.4589 3.6291 3.7211 3.9614 4.0686 9.4051 9.4085 10.8772 10.8839 10.9822 10.9870 11.3015 11.3087 k = 0.4012 0.6163 0.1368 ( 3092 PWs) bands (ev): -23.2308 -23.2308 -17.0243 -17.0214 -16.8173 -16.8149 -16.7936 -16.7930 -6.1637 -6.1630 -3.9304 -3.9194 -3.6641 -3.6508 -3.6247 -3.6221 -0.8907 -0.8907 -0.3758 -0.3721 -0.2265 -0.2232 0.0962 0.1093 0.1608 0.1733 2.2829 2.3115 2.4037 2.4310 2.8671 2.9097 3.0962 3.1165 3.2279 3.2417 3.4006 3.4534 3.6296 3.7245 3.9922 4.0981 9.4298 9.4333 10.8699 10.8764 10.9885 10.9942 11.3019 11.3097 k = 0.3936 0.6236 0.1474 ( 3098 PWs) bands (ev): -23.2312 -23.2312 -17.0227 -17.0195 -16.8175 -16.8151 -16.7934 -16.7927 -6.1686 -6.1679 -3.9340 -3.9222 -3.6735 -3.6590 -3.6327 -3.6299 -0.8865 -0.8864 -0.3659 -0.3620 -0.2082 -0.2047 0.1014 0.1150 0.1708 0.1839 2.2715 2.2965 2.3938 2.4156 2.8590 2.9034 3.0877 3.1111 3.2314 3.2435 3.3961 3.4489 3.6306 3.7283 4.0224 4.1267 9.4551 9.4587 10.8616 10.8678 10.9957 11.0023 11.3024 11.3107 k = 0.3860 0.6308 0.1579 ( 3098 PWs) bands (ev): -23.2316 -23.2316 -17.0209 -17.0175 -16.8178 -16.8153 -16.7933 -16.7924 -6.1740 -6.1733 -3.9378 -3.9252 -3.6833 -3.6677 -3.6412 -3.6381 -0.8814 -0.8813 -0.3550 -0.3509 -0.1889 -0.1851 0.1070 0.1211 0.1805 0.1942 2.2603 2.2815 2.3831 2.3996 2.8520 2.8977 3.0787 3.1055 3.2332 3.2442 3.3935 3.4456 3.6320 3.7324 4.0518 4.1545 9.4805 9.4841 10.8523 10.8581 11.0038 11.0113 11.3031 11.3118 k = 0.3860 0.6308 0.1579 ( 3098 PWs) bands (ev): -23.2316 -23.2316 -17.0209 -17.0175 -16.8178 -16.8153 -16.7933 -16.7924 -6.1740 -6.1733 -3.9378 -3.9252 -3.6833 -3.6677 -3.6412 -3.6381 -0.8814 -0.8813 -0.3550 -0.3509 -0.1889 -0.1851 0.1070 0.1211 0.1805 0.1942 2.2603 2.2815 2.3831 2.3996 2.8520 2.8977 3.0787 3.1055 3.2332 3.2442 3.3935 3.4456 3.6320 3.7324 4.0518 4.1545 9.4805 9.4841 10.8523 10.8581 11.0038 11.0113 11.3031 11.3118 k = 0.3727 0.6263 0.1644 ( 3094 PWs) bands (ev): -23.2319 -23.2319 -17.0197 -17.0162 -16.8179 -16.8154 -16.7931 -16.7921 -6.1780 -6.1772 -3.9405 -3.9274 -3.6898 -3.6735 -3.6470 -3.6430 -0.8773 -0.8772 -0.3478 -0.3435 -0.1766 -0.1723 0.1108 0.1252 0.1873 0.2015 2.2527 2.2724 2.3746 2.3897 2.8482 2.8954 3.0723 3.1020 3.2318 3.2456 3.3931 3.4440 3.6336 3.7352 4.0695 4.1710 9.4945 9.4981 10.8456 10.8517 11.0091 11.0178 11.3033 11.3124 k = 0.3594 0.6218 0.1709 ( 3086 PWs) bands (ev): -23.2323 -23.2323 -17.0183 -17.0147 -16.8179 -16.8154 -16.7929 -16.7918 -6.1828 -6.1821 -3.9436 -3.9301 -3.6970 -3.6797 -3.6536 -3.6476 -0.8718 -0.8717 -0.3404 -0.3358 -0.1638 -0.1589 0.1148 0.1295 0.1960 0.2107 2.2438 2.2636 2.3629 2.3801 2.8453 2.8949 3.0645 3.0987 3.2270 3.2488 3.3941 3.4425 3.6361 3.7387 4.0866 4.1869 9.5054 9.5090 10.8374 10.8447 11.0146 11.0255 11.3032 11.3125 k = 0.3461 0.6174 0.1774 ( 3087 PWs) bands (ev): -23.2327 -23.2327 -17.0169 -17.0132 -16.8180 -16.8153 -16.7927 -16.7914 -6.1886 -6.1879 -3.9471 -3.9333 -3.7048 -3.6863 -3.6604 -3.6521 -0.8650 -0.8648 -0.3329 -0.3278 -0.1507 -0.1449 0.1188 0.1339 0.2065 0.2220 2.2334 2.2549 2.3486 2.3701 2.8432 2.8960 3.0555 3.0957 3.2202 3.2528 3.3961 3.4411 3.6396 3.7426 4.1032 4.2021 9.5133 9.5169 10.8277 10.8367 11.0205 11.0341 11.3030 11.3125 k = 0.3328 0.6129 0.1839 ( 3088 PWs) bands (ev): -23.2331 -23.2331 -17.0153 -17.0116 -16.8179 -16.8152 -16.7925 -16.7909 -6.1951 -6.1944 -3.9512 -3.9372 -3.7131 -3.6935 -3.6670 -3.6566 -0.8569 -0.8568 -0.3254 -0.3199 -0.1372 -0.1304 0.1230 0.1383 0.2189 0.2352 2.2218 2.2463 2.3325 2.3592 2.8421 2.8982 3.0457 3.0928 3.2122 3.2569 3.3990 3.4398 3.6441 3.7469 4.1192 4.2167 9.5184 9.5219 10.8166 10.8272 11.0270 11.0433 11.3027 11.3124 k = 0.3195 0.6084 0.1904 ( 3092 PWs) bands (ev): -23.2336 -23.2336 -17.0137 -17.0099 -16.8178 -16.8150 -16.7922 -16.7904 -6.2023 -6.2016 -3.9557 -3.9416 -3.7218 -3.7013 -3.6733 -3.6609 -0.8477 -0.8476 -0.3182 -0.3122 -0.1232 -0.1156 0.1274 0.1429 0.2329 0.2501 2.2093 2.2374 2.3153 2.3470 2.8423 2.9013 3.0354 3.0902 3.2034 3.2608 3.4025 3.4386 3.6494 3.7516 4.1346 4.2304 9.5206 9.5241 10.8039 10.8160 11.0341 11.0531 11.3027 11.3124 k = 0.3062 0.6039 0.1969 ( 3088 PWs) bands (ev): -23.2341 -23.2341 -17.0120 -17.0081 -16.8177 -16.8147 -16.7919 -16.7898 -6.2102 -6.2095 -3.9608 -3.9465 -3.7307 -3.7096 -3.6789 -3.6652 -0.8374 -0.8373 -0.3114 -0.3049 -0.1089 -0.1004 0.1320 0.1476 0.2485 0.2664 2.1961 2.2281 2.2973 2.3336 2.8436 2.9051 3.0249 3.0878 3.1941 3.2646 3.4065 3.4378 3.6557 3.7568 4.1494 4.2434 9.5204 9.5238 10.7895 10.8028 11.0416 11.0633 11.3029 11.3126 k = 0.2928 0.5994 0.2034 ( 3088 PWs) bands (ev): -23.2346 -23.2346 -17.0102 -17.0063 -16.8175 -16.8144 -16.7915 -16.7892 -6.2186 -6.2179 -3.9662 -3.9521 -3.7397 -3.7184 -3.6840 -3.6693 -0.8262 -0.8260 -0.3050 -0.2982 -0.0941 -0.0849 0.1369 0.1525 0.2654 0.2839 2.1822 2.2182 2.2786 2.3190 2.8460 2.9093 3.0143 3.0858 3.1843 3.2679 3.4108 3.4373 3.6628 3.7622 4.1635 4.2556 9.5178 9.5211 10.7734 10.7876 11.0497 11.0737 11.3034 11.3132 k = 0.2795 0.5949 0.2099 ( 3085 PWs) bands (ev): -23.2352 -23.2352 -17.0084 -17.0046 -16.8172 -16.8139 -16.7912 -16.7886 -6.2275 -6.2268 -3.9721 -3.9582 -3.7487 -3.7274 -3.6885 -3.6732 -0.8140 -0.8137 -0.2994 -0.2923 -0.0790 -0.0691 0.1422 0.1577 0.2832 0.3024 2.1679 2.2075 2.2596 2.3034 2.8494 2.9137 3.0039 3.0842 3.1745 3.2708 3.4153 3.4373 3.6706 3.7680 4.1770 4.2669 9.5131 9.5164 10.7557 10.7704 11.0582 11.0843 11.3043 11.3140 k = 0.2662 0.5904 0.2164 ( 3082 PWs) bands (ev): -23.2358 -23.2358 -17.0066 -17.0028 -16.8169 -16.8134 -16.7908 -16.7879 -6.2367 -6.2360 -3.9784 -3.9648 -3.7576 -3.7366 -3.6925 -3.6768 -0.8009 -0.8007 -0.2945 -0.2873 -0.0634 -0.0531 0.1480 0.1633 0.3018 0.3215 2.1532 2.1961 2.2405 2.2870 2.8537 2.9180 2.9937 3.0831 3.1646 3.2732 3.4196 3.4381 3.6791 3.7739 4.1897 4.2773 9.5065 9.5097 10.7362 10.7512 11.0670 11.0950 11.3054 11.3151 k = 0.2529 0.5859 0.2229 ( 3082 PWs) bands (ev): -23.2364 -23.2364 -17.0049 -17.0010 -16.8165 -16.8128 -16.7903 -16.7872 -6.2462 -6.2456 -3.9851 -3.9719 -3.7662 -3.7458 -3.6959 -3.6803 -0.7872 -0.7868 -0.2906 -0.2832 -0.0476 -0.0370 0.1542 0.1693 0.3209 0.3411 2.1381 2.1838 2.2215 2.2699 2.8587 2.9220 2.9839 3.0827 3.1548 3.2749 3.4236 3.4400 3.6880 3.7800 4.2017 4.2869 9.4984 9.5015 10.7152 10.7302 11.0760 11.1057 11.3067 11.3166 k = 0.2396 0.5814 0.2294 ( 3078 PWs) bands (ev): -23.2370 -23.2370 -17.0031 -16.9993 -16.8160 -16.8122 -16.7899 -16.7866 -6.2560 -6.2553 -3.9921 -3.9794 -3.7745 -3.7548 -3.6990 -3.6836 -0.7727 -0.7723 -0.2876 -0.2803 -0.0314 -0.0207 0.1610 0.1757 0.3403 0.3608 2.1227 2.1707 2.2029 2.2525 2.8642 2.9257 2.9747 3.0830 3.1453 3.2760 3.4273 3.4429 3.6974 3.7863 4.2130 4.2956 9.4889 9.4920 10.6928 10.7076 11.0852 11.1164 11.3081 11.3183 k = 0.2263 0.5769 0.2359 ( 3082 PWs) bands (ev): -23.2376 -23.2376 -17.0013 -16.9976 -16.8155 -16.8115 -16.7894 -16.7859 -6.2658 -6.2652 -3.9993 -3.9872 -3.7825 -3.7636 -3.7017 -3.6866 -0.7577 -0.7572 -0.2857 -0.2785 -0.0151 -0.0045 0.1682 0.1826 0.3598 0.3805 2.1072 2.1566 2.1849 2.2349 2.8701 2.9289 2.9659 3.0839 3.1361 3.2763 3.4308 3.4467 3.7070 3.7924 4.2237 4.3033 9.4784 9.4813 10.6692 10.6835 11.0944 11.1269 11.3092 11.3200 k = 0.2130 0.5724 0.2424 ( 3083 PWs) bands (ev): -23.2382 -23.2382 -16.9997 -16.9960 -16.8149 -16.8108 -16.7890 -16.7852 -6.2756 -6.2750 -4.0068 -3.9954 -3.7899 -3.7720 -3.7040 -3.6894 -0.7421 -0.7416 -0.2849 -0.2779 0.0013 0.0118 0.1758 0.1898 0.3790 0.3999 2.0915 2.1414 2.1678 2.2173 2.8761 2.9316 2.9578 3.0854 3.1275 3.2759 3.4342 3.4512 3.7169 3.7986 4.2336 4.3102 9.4671 9.4699 10.6445 10.6583 11.1038 11.1373 11.3101 11.3218 k = 0.1997 0.5679 0.2489 ( 3080 PWs) bands (ev): -23.2388 -23.2388 -16.9980 -16.9945 -16.8143 -16.8101 -16.7885 -16.7846 -6.2854 -6.2848 -4.0143 -4.0037 -3.7969 -3.7800 -3.7060 -3.6920 -0.7262 -0.7256 -0.2853 -0.2784 0.0177 0.0279 0.1838 0.1973 0.3980 0.4188 2.0757 2.1254 2.1517 2.2000 2.8820 2.9339 2.9504 3.0871 3.1200 3.2748 3.4380 3.4562 3.7269 3.8047 4.2429 4.3162 9.4553 9.4579 10.6191 10.6323 11.1131 11.1475 11.3105 11.3234 k = 0.1864 0.5634 0.2554 ( 3080 PWs) bands (ev): -23.2394 -23.2394 -16.9964 -16.9930 -16.8136 -16.8093 -16.7880 -16.7840 -6.2950 -6.2944 -4.0219 -4.0120 -3.8034 -3.7875 -3.7077 -3.6943 -0.7099 -0.7092 -0.2868 -0.2801 0.0339 0.0438 0.1922 0.2051 0.4164 0.4370 2.0601 2.1085 2.1368 2.1830 2.8877 2.9354 2.9441 3.0879 3.1146 3.2730 3.4421 3.4613 3.7369 3.8106 4.2515 4.3213 9.4431 9.4457 10.5933 10.6057 11.1223 11.1576 11.3104 11.3248 k = 0.1730 0.5589 0.2619 ( 3072 PWs) bands (ev): -23.2400 -23.2400 -16.9949 -16.9917 -16.8129 -16.8085 -16.7875 -16.7834 -6.3043 -6.3038 -4.0295 -4.0204 -3.8093 -3.7946 -3.7091 -3.6965 -0.6934 -0.6926 -0.2893 -0.2829 0.0499 0.0594 0.2008 0.2131 0.4342 0.4545 2.0447 2.0912 2.1229 2.1667 2.8928 2.9343 2.9411 3.0862 3.1128 3.2707 3.4466 3.4665 3.7468 3.8163 4.2595 4.3256 9.4309 9.4333 10.5674 10.5790 11.1315 11.1674 11.3097 11.3257 k = 0.1597 0.5544 0.2683 ( 3072 PWs) bands (ev): -23.2406 -23.2406 -16.9935 -16.9904 -16.8121 -16.8078 -16.7869 -16.7828 -6.3133 -6.3128 -4.0369 -4.0286 -3.8147 -3.8011 -3.7103 -3.6985 -0.6767 -0.6758 -0.2929 -0.2868 0.0655 0.0745 0.2095 0.2212 0.4512 0.4709 2.0296 2.0738 2.1100 2.1509 2.8971 2.9298 2.9424 3.0816 3.1149 3.2678 3.4513 3.4715 3.7566 3.8216 4.2670 4.3291 9.4188 9.4210 10.5417 10.5525 11.1406 11.1770 11.3084 11.3260 k = 0.1464 0.5499 0.2748 ( 3072 PWs) bands (ev): -23.2411 -23.2411 -16.9922 -16.9893 -16.8113 -16.8071 -16.7864 -16.7824 -6.3219 -6.3214 -4.0441 -4.0366 -3.8196 -3.8071 -3.7113 -3.7004 -0.6600 -0.6590 -0.2976 -0.2918 0.0805 0.0890 0.2182 0.2292 0.4672 0.4863 2.0150 2.0565 2.0980 2.1360 2.9004 2.9250 2.9451 3.0754 3.1196 3.2644 3.4564 3.4764 3.7662 3.8265 4.2738 4.3318 9.4070 9.4090 10.5166 10.5265 11.1497 11.1865 11.3063 11.3258 k = 0.1331 0.5454 0.2813 ( 3068 PWs) bands (ev): -23.2416 -23.2416 -16.9910 -16.9883 -16.8106 -16.8064 -16.7859 -16.7819 -6.3299 -6.3295 -4.0510 -4.0443 -3.8239 -3.8126 -3.7121 -3.7020 -0.6434 -0.6423 -0.3031 -0.2976 0.0948 0.1027 0.2268 0.2371 0.4823 0.5004 2.0010 2.0395 2.0871 2.1219 2.9026 2.9205 2.9488 3.0686 3.1257 3.2606 3.4615 3.4810 3.7755 3.8311 4.2802 4.3338 9.3957 9.3976 10.4924 10.5014 11.1586 11.1957 11.3035 11.3249 k = 0.1198 0.5409 0.2878 ( 3066 PWs) bands (ev): -23.2421 -23.2421 -16.9898 -16.9874 -16.8098 -16.8058 -16.7854 -16.7815 -6.3375 -6.3371 -4.0575 -4.0516 -3.8277 -3.8176 -3.7127 -3.7036 -0.6269 -0.6258 -0.3094 -0.3043 0.1083 0.1156 0.2352 0.2447 0.4962 0.5133 1.9880 2.0232 2.0772 2.1088 2.9037 2.9166 2.9531 3.0617 3.1326 3.2563 3.4668 3.4853 3.7844 3.8351 4.2861 4.3351 9.3850 9.3867 10.4694 10.4776 11.1674 11.2047 11.3001 11.3232 k = 0.1065 0.5364 0.2943 ( 3064 PWs) bands (ev): -23.2425 -23.2425 -16.9888 -16.9865 -16.8090 -16.8052 -16.7848 -16.7812 -6.3444 -6.3441 -4.0635 -4.0583 -3.8310 -3.8221 -3.7131 -3.7050 -0.6109 -0.6096 -0.3164 -0.3116 0.1209 0.1275 0.2433 0.2519 0.5090 0.5247 1.9759 2.0077 2.0684 2.0966 2.9041 2.9131 2.9581 3.0548 3.1401 3.2518 3.4719 3.4892 3.7930 3.8385 4.2916 4.3357 9.3751 9.3767 10.4480 10.4552 11.1761 11.2135 11.2960 11.3209 k = 0.0932 0.5319 0.3008 ( 3069 PWs) bands (ev): -23.2429 -23.2429 -16.9878 -16.9859 -16.8082 -16.8047 -16.7843 -16.7810 -6.3506 -6.3504 -4.0690 -4.0645 -3.8338 -3.8260 -3.7134 -3.7062 -0.5953 -0.5940 -0.3239 -0.3195 0.1324 0.1383 0.2508 0.2586 0.5205 0.5348 1.9651 1.9933 2.0607 2.0855 2.9038 2.9101 2.9634 3.0481 3.1479 3.2468 3.4769 3.4926 3.8010 3.8412 4.2967 4.3358 9.3661 9.3675 10.4284 10.4347 11.1847 11.2220 11.2913 11.3178 k = 0.0799 0.5274 0.3073 ( 3071 PWs) bands (ev): -23.2432 -23.2432 -16.9870 -16.9853 -16.8075 -16.8044 -16.7838 -16.7808 -6.3561 -6.3559 -4.0738 -4.0700 -3.8362 -3.8295 -3.7136 -3.7074 -0.5804 -0.5791 -0.3317 -0.3277 0.1426 0.1479 0.2578 0.2646 0.5307 0.5433 1.9556 1.9800 2.0542 2.0755 2.9032 2.9075 2.9690 3.0414 3.1558 3.2415 3.4816 3.4955 3.8085 3.8433 4.3014 4.3353 9.3582 9.3593 10.4109 10.4163 11.1933 11.2303 11.2861 11.3140 k = 0.0666 0.5229 0.3138 ( 3063 PWs) bands (ev): -23.2435 -23.2435 -16.9863 -16.9848 -16.8068 -16.8041 -16.7833 -16.7807 -6.3609 -6.3607 -4.0780 -4.0749 -3.8380 -3.8325 -3.7136 -3.7084 -0.5666 -0.5653 -0.3394 -0.3359 0.1516 0.1560 0.2640 0.2698 0.5396 0.5504 1.9476 1.9681 2.0488 2.0667 2.9025 2.9054 2.9749 3.0350 3.1640 3.2359 3.4860 3.4979 3.8154 3.8447 4.3058 4.3343 9.3513 9.3523 10.3957 10.4003 11.2017 11.2382 11.2807 11.3096 k = 0.0532 0.5184 0.3203 ( 3063 PWs) bands (ev): -23.2437 -23.2437 -16.9856 -16.9845 -16.8061 -16.8039 -16.7828 -16.7807 -6.3648 -6.3646 -4.0814 -4.0789 -3.8395 -3.8350 -3.7135 -3.7094 -0.5541 -0.5529 -0.3468 -0.3438 0.1592 0.1628 0.2694 0.2742 0.5472 0.5560 1.9413 1.9578 2.0448 2.0591 2.9017 2.9037 2.9807 3.0287 3.1720 3.2300 3.4900 3.4997 3.8217 3.8453 4.3099 4.3329 9.3456 9.3464 10.3831 10.3868 11.2100 11.2454 11.2752 11.3047 k = 0.0399 0.5139 0.3268 ( 3061 PWs) bands (ev): -23.2439 -23.2439 -16.9851 -16.9842 -16.8056 -16.8039 -16.7824 -16.7807 -6.3679 -6.3678 -4.0840 -4.0822 -3.8404 -3.8371 -3.7134 -3.7102 -0.5435 -0.5424 -0.3534 -0.3510 0.1653 0.1680 0.2739 0.2775 0.5534 0.5601 1.9367 1.9492 2.0420 2.0527 2.9011 2.9024 2.9866 3.0225 3.1800 3.2237 3.4934 3.5008 3.8274 3.8452 4.3137 4.3311 9.3411 9.3417 10.3733 10.3760 11.2182 11.2510 11.2708 11.2992 k = 0.0266 0.5094 0.3333 ( 3060 PWs) bands (ev): -23.2441 -23.2441 -16.9847 -16.9841 -16.8051 -16.8039 -16.7820 -16.7809 -6.3701 -6.3700 -4.0859 -4.0847 -3.8410 -3.8388 -3.7131 -3.7110 -0.5351 -0.5343 -0.3586 -0.3569 0.1698 0.1716 0.2773 0.2797 0.5581 0.5627 1.9340 1.9423 2.0405 2.0476 2.9006 2.9014 2.9925 3.0164 3.1879 3.2171 3.4962 3.5012 3.8323 3.8442 4.3172 4.3289 9.3379 9.3383 10.3663 10.3681 11.2262 11.2520 11.2704 11.2933 k = 0.0133 0.5049 0.3398 ( 3056 PWs) bands (ev): -23.2442 -23.2442 -16.9844 -16.9841 -16.8046 -16.8040 -16.7816 -16.7810 -6.3714 -6.3714 -4.0869 -4.0862 -3.8411 -3.8400 -3.7127 -3.7116 -0.5297 -0.5293 -0.3619 -0.3610 0.1727 0.1736 0.2797 0.2809 0.5615 0.5638 1.9331 1.9373 2.0403 2.0439 2.9003 2.9007 2.9984 3.0104 3.1956 3.2102 3.4985 3.5010 3.8365 3.8425 4.3205 4.3264 9.3360 9.3362 10.3622 10.3631 11.2339 11.2478 11.2747 11.2871 k = 0.0000 0.5004 0.3463 ( 3056 PWs) bands (ev): -23.2442 -23.2442 -16.9842 -16.9842 -16.8043 -16.8043 -16.7813 -16.7813 -6.3719 -6.3719 -4.0870 -4.0870 -3.8407 -3.8407 -3.7122 -3.7122 -0.5277 -0.5277 -0.3627 -0.3627 0.1740 0.1740 0.2808 0.2808 0.5633 0.5633 1.9343 1.9343 2.0414 2.0414 2.9004 2.9004 3.0044 3.0044 3.2030 3.2030 3.5001 3.5001 3.8399 3.8399 4.3236 4.3236 9.3354 9.3354 10.3611 10.3611 11.2413 11.2413 11.2808 11.2808 k = 0.0000 0.5004 0.3463 ( 3056 PWs) bands (ev): -23.2442 -23.2442 -16.9842 -16.9842 -16.8043 -16.8043 -16.7813 -16.7813 -6.3719 -6.3719 -4.0870 -4.0870 -3.8407 -3.8407 -3.7122 -3.7122 -0.5277 -0.5277 -0.3627 -0.3627 0.1740 0.1740 0.2808 0.2808 0.5633 0.5633 1.9343 1.9343 2.0414 2.0414 2.9004 2.9004 3.0044 3.0044 3.2030 3.2030 3.5001 3.5001 3.8399 3.8399 4.3236 4.3236 9.3354 9.3354 10.3611 10.3611 11.2413 11.2413 11.2808 11.2808 k = 0.0078 0.4930 0.3571 ( 3054 PWs) bands (ev): -23.2442 -23.2442 -16.9842 -16.9841 -16.8043 -16.8043 -16.7813 -16.7813 -6.3718 -6.3717 -4.0872 -4.0870 -3.8409 -3.8408 -3.7128 -3.7126 -0.5267 -0.5266 -0.3629 -0.3626 0.1729 0.1732 0.2815 0.2824 0.5625 0.5635 1.9339 1.9359 2.0409 2.0430 2.8920 2.9063 2.9932 3.0173 3.1992 3.2078 3.4984 3.5024 3.8353 3.8442 4.3208 4.3245 9.3326 9.3329 10.3604 10.3627 11.2404 11.2409 11.2799 11.2808 k = 0.0156 0.4855 0.3680 ( 3060 PWs) bands (ev): -23.2441 -23.2441 -16.9841 -16.9840 -16.8044 -16.8043 -16.7814 -16.7814 -6.3714 -6.3712 -4.0877 -4.0873 -3.8412 -3.8412 -3.7142 -3.7138 -0.5238 -0.5234 -0.3633 -0.3626 0.1702 0.1707 0.2843 0.2861 0.5610 0.5630 1.9348 1.9387 2.0415 2.0456 2.8820 2.9084 2.9849 3.0311 3.1962 3.2133 3.4971 3.5051 3.8302 3.8480 4.3160 4.3234 9.3244 9.3250 10.3606 10.3652 11.2384 11.2393 11.2783 11.2800 k = 0.0234 0.4780 0.3788 ( 3060 PWs) bands (ev): -23.2441 -23.2441 -16.9840 -16.9839 -16.8045 -16.8044 -16.7816 -16.7816 -6.3708 -6.3705 -4.0884 -4.0878 -3.8418 -3.8418 -3.7165 -3.7159 -0.5188 -0.5182 -0.3638 -0.3627 0.1661 0.1667 0.2889 0.2914 0.5589 0.5618 1.9370 1.9429 2.0431 2.0493 2.8707 2.9059 2.9807 3.0453 3.1941 3.2198 3.4965 3.5084 3.8249 3.8515 4.3093 4.3203 9.3110 9.3118 10.3617 10.3686 11.2351 11.2365 11.2759 11.2784 k = 0.0312 0.4705 0.3896 ( 3060 PWs) bands (ev): -23.2441 -23.2440 -16.9838 -16.9837 -16.8047 -16.8045 -16.7819 -16.7818 -6.3700 -6.3695 -4.0893 -4.0886 -3.8427 -3.8426 -3.7196 -3.7188 -0.5118 -0.5111 -0.3644 -0.3629 0.1612 0.1618 0.2949 0.2979 0.5561 0.5600 1.9404 1.9483 2.0458 2.0540 2.8585 2.8985 2.9806 3.0597 3.1930 3.2270 3.4964 3.5122 3.8192 3.8546 4.3006 4.3154 9.2927 9.2937 10.3638 10.3728 11.2306 11.2324 11.2729 11.2761 k = 0.0391 0.4630 0.4004 ( 3056 PWs) bands (ev): -23.2440 -23.2440 -16.9836 -16.9835 -16.8049 -16.8047 -16.7821 -16.7821 -6.3688 -6.3683 -4.0905 -4.0896 -3.8437 -3.8437 -3.7236 -3.7226 -0.5029 -0.5020 -0.3651 -0.3633 0.1558 0.1563 0.3018 0.3052 0.5526 0.5574 1.9451 1.9548 2.0495 2.0598 2.8456 2.8877 2.9835 3.0740 3.1928 3.2349 3.4968 3.5165 3.8131 3.8572 4.2901 4.3085 9.2697 9.2709 10.3667 10.3779 11.2250 11.2271 11.2691 11.2730 k = 0.0469 0.4555 0.4113 ( 3052 PWs) bands (ev): -23.2439 -23.2439 -16.9834 -16.9832 -16.8051 -16.8049 -16.7825 -16.7824 -6.3675 -6.3668 -4.0919 -4.0908 -3.8450 -3.8449 -3.7283 -3.7271 -0.4921 -0.4909 -0.3660 -0.3638 0.1503 0.1505 0.3093 0.3130 0.5484 0.5541 1.9509 1.9626 2.0542 2.0665 2.8321 2.8746 2.9881 3.0880 3.1936 3.2435 3.4979 3.5212 3.8067 3.8595 4.2778 4.2999 9.2423 9.2438 10.3706 10.3837 11.2181 11.2205 11.2647 11.2692 k = 0.0547 0.4480 0.4221 ( 3050 PWs) bands (ev): -23.2438 -23.2438 -16.9831 -16.9829 -16.8054 -16.8052 -16.7829 -16.7828 -6.3659 -6.3651 -4.0934 -4.0922 -3.8465 -3.8464 -3.7337 -3.7324 -0.4794 -0.4781 -0.3669 -0.3645 0.1448 0.1449 0.3171 0.3210 0.5436 0.5501 1.9579 1.9715 2.0599 2.0742 2.8182 2.8603 2.9935 3.1015 3.1955 3.2526 3.4994 3.5264 3.8000 3.8613 4.2637 4.2895 9.2111 9.2127 10.3753 10.3904 11.2101 11.2127 11.2596 11.2646 k = 0.0625 0.4405 0.4329 ( 3056 PWs) bands (ev): -23.2437 -23.2437 -16.9828 -16.9825 -16.8057 -16.8054 -16.7834 -16.7832 -6.3641 -6.3632 -4.0952 -4.0938 -3.8482 -3.8481 -3.7397 -3.7383 -0.4651 -0.4635 -0.3681 -0.3653 0.1393 0.1398 0.3250 0.3289 0.5380 0.5452 1.9659 1.9814 2.0665 2.0829 2.8039 2.8453 2.9994 3.1141 3.1986 3.2620 3.5016 3.5319 3.7930 3.8627 4.2480 4.2774 9.1763 9.1781 10.3810 10.3979 11.2010 11.2038 11.2538 11.2593 k = 0.0703 0.4330 0.4437 ( 3058 PWs) bands (ev): -23.2436 -23.2435 -16.9824 -16.9821 -16.8061 -16.8058 -16.7838 -16.7837 -6.3620 -6.3611 -4.0971 -4.0956 -3.8501 -3.8500 -3.7463 -3.7448 -0.4490 -0.4472 -0.3693 -0.3663 0.1343 0.1351 0.3328 0.3367 0.5317 0.5396 1.9750 1.9923 2.0741 2.0924 2.7894 2.8298 3.0055 3.1258 3.2032 3.2717 3.5042 3.5377 3.7858 3.8636 4.2307 4.2638 9.1386 9.1404 10.3875 10.4061 11.1909 11.1938 11.2473 11.2533 k = 0.0781 0.4256 0.4545 ( 3058 PWs) bands (ev): -23.2434 -23.2434 -16.9820 -16.9817 -16.8065 -16.8061 -16.7844 -16.7842 -6.3599 -6.3589 -4.0991 -4.0975 -3.8521 -3.8520 -3.7535 -3.7518 -0.4314 -0.4294 -0.3707 -0.3673 0.1298 0.1310 0.3404 0.3442 0.5246 0.5331 1.9851 2.0041 2.0826 2.1027 2.7748 2.8141 3.0119 3.1361 3.2095 3.2816 3.5076 3.5439 3.7783 3.8641 4.2120 4.2487 9.0983 9.1002 10.3949 10.4150 11.1800 11.1829 11.2400 11.2464 k = 0.0859 0.4181 0.4654 ( 3056 PWs) bands (ev): -23.2433 -23.2433 -16.9815 -16.9812 -16.8069 -16.8065 -16.7849 -16.7848 -6.3575 -6.3565 -4.1013 -4.0996 -3.8543 -3.8542 -3.7610 -3.7593 -0.4124 -0.4100 -0.3722 -0.3686 0.1260 0.1276 0.3475 0.3513 0.5167 0.5258 1.9961 2.0168 2.0919 2.1138 2.7601 2.7983 3.0185 3.1450 3.2174 3.2915 3.5115 3.5503 3.7707 3.8641 4.1919 4.2322 9.0560 9.0579 10.4032 10.4246 11.1683 11.1713 11.2318 11.2387 k = 0.0938 0.4106 0.4762 ( 3060 PWs) bands (ev): -23.2431 -23.2431 -16.9811 -16.9807 -16.8073 -16.8069 -16.7855 -16.7854 -6.3550 -6.3539 -4.1036 -4.1017 -3.8567 -3.8565 -3.7689 -3.7671 -0.3922 -0.3893 -0.3738 -0.3697 0.1228 0.1248 0.3542 0.3578 0.5080 0.5176 2.0080 2.0301 2.1020 2.1256 2.7455 2.7825 3.0253 3.1526 3.2269 3.3012 3.5161 3.5569 3.7629 3.8636 4.1705 4.2144 9.0121 9.0140 10.4123 10.4350 11.1560 11.1589 11.2228 11.2302 k = 0.1016 0.4031 0.4870 ( 3056 PWs) bands (ev): -23.2430 -23.2429 -16.9806 -16.9802 -16.8077 -16.8073 -16.7861 -16.7860 -6.3524 -6.3513 -4.1059 -4.1039 -3.8592 -3.8589 -3.7770 -3.7752 -0.3758 -0.3748 -0.3671 -0.3670 0.1205 0.1228 0.3604 0.3637 0.4985 0.5085 2.0206 2.0441 2.1128 2.1380 2.7309 2.7667 3.0324 3.1590 3.2377 3.3108 3.5213 3.5636 3.7550 3.8627 4.1481 4.1954 8.9670 8.9689 10.4223 10.4460 11.1433 11.1461 11.2129 11.2208 k = 0.1094 0.3956 0.4978 ( 3050 PWs) bands (ev): -23.2428 -23.2428 -16.9801 -16.9797 -16.8082 -16.8078 -16.7868 -16.7866 -6.3497 -6.3486 -4.1083 -4.1062 -3.8618 -3.8614 -3.7853 -3.7835 -0.3776 -0.3743 -0.3464 -0.3440 0.1189 0.1216 0.3659 0.3690 0.4882 0.4985 2.0339 2.0586 2.1243 2.1509 2.7165 2.7511 3.0399 3.1646 3.2493 3.3199 3.5273 3.5705 3.7471 3.8612 4.1247 4.1755 8.9213 8.9231 10.4330 10.4576 11.1303 11.1330 11.2021 11.2105 k = 0.1172 0.3881 0.5087 ( 3052 PWs) bands (ev): -23.2426 -23.2426 -16.9795 -16.9792 -16.8087 -16.8083 -16.7874 -16.7872 -6.3470 -6.3458 -4.1107 -4.1086 -3.8644 -3.8640 -3.7937 -3.7918 -0.3795 -0.3759 -0.3226 -0.3197 0.1182 0.1211 0.3708 0.3736 0.4770 0.4875 2.0479 2.0735 2.1364 2.1641 2.7022 2.7357 3.0477 3.1697 3.2613 3.3284 3.5339 3.5774 3.7394 3.8592 4.1006 4.1546 8.8753 8.8771 10.4446 10.4699 11.1170 11.1196 11.1903 11.1993 k = 0.1250 0.3806 0.5195 ( 3054 PWs) bands (ev): -23.2424 -23.2424 -16.9790 -16.9786 -16.8092 -16.8087 -16.7880 -16.7879 -6.3442 -6.3430 -4.1131 -4.1109 -3.8672 -3.8667 -3.8021 -3.8003 -0.3816 -0.3779 -0.2978 -0.2944 0.1182 0.1213 0.3750 0.3774 0.4649 0.4756 2.0623 2.0885 2.1490 2.1775 2.6883 2.7205 3.0560 3.1746 3.2734 3.3363 3.5412 3.5842 3.7319 3.8567 4.0758 4.1330 8.8294 8.8312 10.4568 10.4827 11.1037 11.1061 11.1777 11.1872 k = 0.1328 0.3731 0.5303 ( 3062 PWs) bands (ev): -23.2423 -23.2423 -16.9785 -16.9781 -16.8097 -16.8092 -16.7887 -16.7885 -6.3414 -6.3402 -4.1154 -4.1133 -3.8700 -3.8694 -3.8103 -3.8086 -0.3837 -0.3800 -0.2720 -0.2684 0.1190 0.1223 0.3785 0.3805 0.4519 0.4627 2.0771 2.1037 2.1619 2.1911 2.6747 2.7055 3.0648 3.1795 3.2852 3.3434 3.5491 3.5909 3.7247 3.8536 4.0505 4.1107 8.7842 8.7859 10.4697 10.4960 11.0904 11.0926 11.1642 11.1743 k = 0.1406 0.3656 0.5411 ( 3066 PWs) bands (ev): -23.2421 -23.2421 -16.9779 -16.9776 -16.8101 -16.8097 -16.7893 -16.7891 -6.3386 -6.3375 -4.1177 -4.1156 -3.8729 -3.8722 -3.8184 -3.8168 -0.3859 -0.3822 -0.2455 -0.2415 0.1205 0.1240 0.3812 0.3827 0.4381 0.4488 2.0922 2.1189 2.1752 2.2046 2.6614 2.6909 3.0741 3.1844 3.2964 3.3497 3.5578 3.5976 3.7181 3.8499 4.0250 4.0879 8.7399 8.7415 10.4833 10.5098 11.0774 11.0793 11.1499 11.1606 k = 0.1484 0.3581 0.5519 ( 3068 PWs) bands (ev): -23.2419 -23.2419 -16.9774 -16.9771 -16.8106 -16.8102 -16.7899 -16.7897 -6.3359 -6.3347 -4.1200 -4.1178 -3.8758 -3.8749 -3.8262 -3.8247 -0.3880 -0.3844 -0.2184 -0.2141 0.1227 0.1263 0.3833 0.3842 0.4235 0.4339 2.1075 2.1340 2.1885 2.2179 2.6487 2.6767 3.0840 3.1897 3.3068 3.3549 3.5673 3.6041 3.7122 3.8458 3.9994 4.0648 8.6970 8.6984 10.4975 10.5239 11.0647 11.0663 11.1350 11.1462 k = 0.1562 0.3507 0.5628 ( 3072 PWs) bands (ev): -23.2418 -23.2418 -16.9769 -16.9765 -16.8111 -16.8107 -16.7904 -16.7903 -6.3332 -6.3321 -4.1221 -4.1200 -3.8787 -3.8777 -3.8336 -3.8323 -0.3902 -0.3867 -0.1908 -0.1861 0.1255 0.1291 0.3845 0.3846 0.4083 0.4181 2.1228 2.1488 2.2018 2.2309 2.6365 2.6628 3.0945 3.1952 3.3160 3.3591 3.5774 3.6104 3.7072 3.8410 3.9740 4.0415 8.6557 8.6571 10.5122 10.5385 11.0524 11.0538 11.1194 11.1312 k = 0.1641 0.3432 0.5736 ( 3070 PWs) bands (ev): -23.2416 -23.2416 -16.9764 -16.9761 -16.8116 -16.8112 -16.7910 -16.7909 -6.3306 -6.3296 -4.1241 -4.1220 -3.8816 -3.8805 -3.8406 -3.8395 -0.3923 -0.3889 -0.1628 -0.1577 0.1288 0.1324 0.3820 0.3853 0.3945 0.4013 2.1381 2.1633 2.2149 2.2432 2.6249 2.6495 3.1057 3.2012 3.3237 3.3622 3.5881 3.6167 3.7034 3.8357 3.9490 4.0181 8.6165 8.6177 10.5274 10.5532 11.0407 11.0417 11.1033 11.1157 k = 0.1719 0.3357 0.5844 ( 3068 PWs) bands (ev): -23.2415 -23.2415 -16.9759 -16.9756 -16.8120 -16.8116 -16.7915 -16.7914 -6.3282 -6.3272 -4.1260 -4.1240 -3.8845 -3.8833 -3.8470 -3.8462 -0.3943 -0.3911 -0.1345 -0.1290 0.1326 0.1361 0.3700 0.3827 0.3861 0.3886 2.1532 2.1772 2.2276 2.2549 2.6140 2.6367 3.1175 3.2076 3.3297 3.3640 3.5995 3.6229 3.7009 3.8298 3.9247 3.9948 8.5795 8.5806 10.5428 10.5681 11.0296 11.0303 11.0870 11.0998 k = 0.1797 0.3282 0.5952 ( 3072 PWs) bands (ev): -23.2413 -23.2413 -16.9755 -16.9752 -16.8124 -16.8121 -16.7920 -16.7919 -6.3259 -6.3249 -4.1277 -4.1258 -3.8873 -3.8860 -3.8529 -3.8523 -0.3962 -0.3932 -0.1059 -0.1001 0.1366 0.1399 0.3525 0.3645 0.3852 0.3869 2.1679 2.1906 2.2398 2.2656 2.6038 2.6245 3.1298 3.2144 3.3337 3.3646 3.6114 3.6292 3.6996 3.8233 3.9011 3.9717 8.5452 8.5462 10.5585 10.5829 11.0193 11.0196 11.0706 11.0838 k = 0.1875 0.3207 0.6061 ( 3078 PWs) bands (ev): -23.2412 -23.2412 -16.9750 -16.9748 -16.8128 -16.8125 -16.7924 -16.7923 -6.3237 -6.3229 -4.1293 -4.1275 -3.8901 -3.8887 -3.8581 -3.8577 -0.3979 -0.3953 -0.0773 -0.0712 0.1409 0.1439 0.3334 0.3448 0.3844 0.3854 2.1822 2.2032 2.2511 2.2752 2.5944 2.6131 3.1428 3.2217 3.3355 3.3639 3.6238 3.6357 3.6997 3.8162 3.8789 3.9489 8.5137 8.5146 10.5741 10.5975 11.0097 11.0098 11.0544 11.0678 k = 0.1953 0.3132 0.6169 ( 3078 PWs) bands (ev): -23.2411 -23.2411 -16.9747 -16.9744 -16.8131 -16.8129 -16.7928 -16.7927 -6.3218 -6.3210 -4.1307 -4.1291 -3.8928 -3.8913 -3.8627 -3.8625 -0.3995 -0.3971 -0.0488 -0.0422 0.1452 0.1479 0.3133 0.3242 0.3832 0.3839 2.1957 2.2149 2.2616 2.2837 2.5860 2.6024 3.1562 3.2294 3.3352 3.3618 3.6366 3.6427 3.7010 3.8081 3.8583 3.9267 8.4854 8.4861 10.5897 10.6116 11.0006 11.0011 11.0387 11.0521 k = 0.2031 0.3057 0.6277 ( 3080 PWs) bands (ev): -23.2410 -23.2410 -16.9743 -16.9741 -16.8134 -16.8132 -16.7932 -16.7931 -6.3201 -6.3194 -4.1319 -4.1305 -3.8953 -3.8939 -3.8666 -3.8665 -0.4010 -0.3989 -0.0203 -0.0133 0.1494 0.1517 0.2922 0.3027 0.3819 0.3822 2.2084 2.2255 2.2710 2.2907 2.5785 2.5927 3.1700 3.2373 3.3329 3.3585 3.6495 3.6504 3.7033 3.7990 3.8400 3.9052 8.4604 8.4610 10.6048 10.6249 10.9924 10.9932 11.0239 11.0371 k = 0.2109 0.2982 0.6385 ( 3082 PWs) bands (ev): -23.2409 -23.2409 -16.9740 -16.9738 -16.8137 -16.8135 -16.7935 -16.7934 -6.3185 -6.3180 -4.1329 -4.1317 -3.8975 -3.8962 -3.8699 -3.8698 -0.4022 -0.4004 0.0080 0.0154 0.1534 0.1551 0.2703 0.2804 0.3804 0.3806 2.2201 2.2349 2.2793 2.2963 2.5722 2.5840 3.1841 3.2450 3.3289 3.3539 3.6587 3.6624 3.7064 3.7882 3.8248 3.8844 8.4389 8.4394 10.6191 10.6371 10.9851 10.9862 11.0106 11.0231 k = 0.2188 0.2907 0.6493 ( 3084 PWs) bands (ev): -23.2408 -23.2408 -16.9738 -16.9736 -16.8139 -16.8138 -16.7937 -16.7937 -6.3173 -6.3168 -4.1337 -4.1327 -3.8995 -3.8984 -3.8725 -3.8724 -0.4031 -0.4017 0.0359 0.0437 0.1570 0.1581 0.2477 0.2573 0.3790 0.3790 2.2305 2.2428 2.2863 2.3004 2.5671 2.5765 3.1983 3.2521 3.3239 3.3483 3.6678 3.6750 3.7100 3.7758 3.8134 3.8648 8.4211 8.4215 10.6323 10.6477 10.9787 10.9798 10.9995 11.0106 k = 0.2266 0.2833 0.6602 ( 3086 PWs) bands (ev): -23.2408 -23.2408 -16.9735 -16.9734 -16.8141 -16.8140 -16.7939 -16.7939 -6.3163 -6.3159 -4.1343 -4.1335 -3.9011 -3.9002 -3.8745 -3.8744 -0.4039 -0.4028 0.0633 0.0716 0.1601 0.1603 0.2246 0.2335 0.3777 0.3777 2.2393 2.2489 2.2921 2.3031 2.5632 2.5703 3.2123 3.2576 3.3190 3.3418 3.6775 3.6866 3.7139 3.7623 3.8057 3.8467 8.4071 8.4074 10.6440 10.6561 10.9732 10.9739 10.9913 11.0001 k = 0.2344 0.2758 0.6710 ( 3082 PWs) bands (ev): -23.2407 -23.2407 -16.9734 -16.9733 -16.8142 -16.8141 -16.7941 -16.7940 -6.3155 -6.3153 -4.1346 -4.1341 -3.9022 -3.9015 -3.8759 -3.8758 -0.4044 -0.4036 0.0899 0.0985 0.1616 0.1627 0.2015 0.2092 0.3766 0.3767 2.2465 2.2531 2.2967 2.3043 2.5607 2.5654 3.2259 3.2596 3.3162 3.3348 3.6875 3.6962 3.7179 3.7490 3.8019 3.8305 8.3970 8.3972 10.6535 10.6620 10.9687 10.9690 10.9861 10.9921 k = 0.2422 0.2683 0.6818 ( 3078 PWs) bands (ev): -23.2407 -23.2407 -16.9733 -16.9733 -16.8143 -16.8142 -16.7941 -16.7941 -6.3150 -6.3149 -4.1348 -4.1346 -3.9028 -3.9025 -3.8767 -3.8766 -0.4046 -0.4042 0.1149 0.1232 0.1610 0.1646 0.1805 0.1853 0.3760 0.3760 2.2516 2.2549 2.3003 2.3041 2.5597 2.5620 3.2385 3.2568 3.3170 3.3277 3.6966 3.7021 3.7220 3.7369 3.8022 3.8171 8.3910 8.3911 10.6604 10.6648 10.9656 10.9657 10.9839 10.9868 k = 0.2500 0.2608 0.6926 ( 3084 PWs) bands (ev): -23.2407 -23.2407 -16.9732 -16.9732 -16.8143 -16.8143 -16.7942 -16.7942 -6.3148 -6.3148 -4.1348 -4.1348 -3.9029 -3.9029 -3.8769 -3.8769 -0.4045 -0.4045 0.1332 0.1332 0.1622 0.1622 0.1705 0.1705 0.3758 0.3758 2.2544 2.2544 2.3028 2.3028 2.5601 2.5601 3.2492 3.2492 3.3213 3.3213 3.7024 3.7024 3.7277 3.7277 3.8073 3.8073 8.3890 8.3890 10.6642 10.6642 10.9645 10.9645 10.9841 10.9841 k = 0.2500 0.2608 0.6926 ( 3084 PWs) bands (ev): -23.2407 -23.2407 -16.9732 -16.9732 -16.8143 -16.8143 -16.7942 -16.7942 -6.3148 -6.3148 -4.1348 -4.1348 -3.9029 -3.9029 -3.8769 -3.8769 -0.4045 -0.4045 0.1332 0.1332 0.1622 0.1622 0.1705 0.1705 0.3758 0.3758 2.2544 2.2544 2.3028 2.3028 2.5601 2.5601 3.2492 3.2492 3.3213 3.3213 3.7024 3.7024 3.7277 3.7277 3.8073 3.8073 8.3890 8.3890 10.6642 10.6642 10.9645 10.9645 10.9841 10.9841 k = 0.2574 0.2685 0.6816 ( 3082 PWs) bands (ev): -23.2407 -23.2407 -16.9733 -16.9732 -16.8143 -16.8143 -16.7941 -16.7941 -6.3150 -6.3149 -4.1348 -4.1346 -3.9095 -3.9092 -3.8701 -3.8700 -0.4050 -0.4047 0.1236 0.1299 0.1475 0.1493 0.1874 0.1931 0.3758 0.3759 2.2518 2.2530 2.3026 2.3062 2.5598 2.5613 3.2421 3.2540 3.3174 3.3264 3.6975 3.7029 3.7229 3.7351 3.8035 3.8134 8.3900 8.3901 10.6623 10.6655 10.9640 10.9645 10.9854 10.9870 k = 0.2647 0.2761 0.6705 ( 3088 PWs) bands (ev): -23.2407 -23.2407 -16.9733 -16.9733 -16.8144 -16.8144 -16.7939 -16.7939 -6.3154 -6.3152 -4.1344 -4.1341 -3.9213 -3.9207 -3.8571 -3.8571 -0.4060 -0.4055 0.1118 0.1192 0.1304 0.1321 0.2132 0.2214 0.3760 0.3760 2.2468 2.2477 2.3043 2.3125 2.5606 2.5632 3.2345 3.2551 3.3135 3.3330 3.6900 3.6978 3.7224 3.7438 3.8026 3.8208 8.3933 8.3935 10.6596 10.6661 10.9633 10.9652 10.9904 10.9927 k = 0.2721 0.2838 0.6594 ( 3090 PWs) bands (ev): -23.2407 -23.2407 -16.9734 -16.9734 -16.8146 -16.8146 -16.7936 -16.7936 -6.3159 -6.3156 -4.1339 -4.1334 -3.9335 -3.9328 -3.8428 -3.8428 -0.4077 -0.4068 0.0988 0.1050 0.1152 0.1157 0.2396 0.2491 0.3761 0.3761 2.2405 2.2406 2.3072 2.3197 2.5624 2.5657 3.2267 3.2535 3.3097 3.3401 3.6817 3.6879 3.7262 3.7521 3.8039 3.8294 8.3989 8.3991 10.6563 10.6660 10.9638 10.9675 10.9979 11.0006 k = 0.2794 0.2915 0.6483 ( 3088 PWs) bands (ev): -23.2407 -23.2407 -16.9735 -16.9735 -16.8149 -16.8149 -16.7932 -16.7931 -6.3165 -6.3161 -4.1331 -4.1325 -3.9451 -3.9443 -3.8280 -3.8280 -0.4101 -0.4088 0.0838 0.0873 0.1012 0.1031 0.2650 0.2755 0.3761 0.3761 2.2325 2.2338 2.3105 2.3268 2.5653 2.5687 3.2188 3.2498 3.3061 3.3467 3.6732 3.6764 3.7320 3.7594 3.8069 3.8393 8.4068 8.4071 10.6525 10.6653 10.9661 10.9715 11.0072 11.0100 k = 0.2868 0.2991 0.6372 ( 3090 PWs) bands (ev): -23.2408 -23.2408 -16.9737 -16.9736 -16.8152 -16.8152 -16.7927 -16.7926 -6.3171 -6.3166 -4.1320 -4.1315 -3.9559 -3.9550 -3.8131 -3.8131 -0.4132 -0.4115 0.0666 0.0683 0.0890 0.0924 0.2891 0.3003 0.3759 0.3759 2.2242 2.2270 2.3138 2.3332 2.5691 2.5724 3.2109 3.2448 3.3026 3.3519 3.6644 3.6646 3.7389 3.7654 3.8115 3.8503 8.4171 8.4175 10.6483 10.6640 10.9702 10.9773 11.0178 11.0207 k = 0.2941 0.3068 0.6261 ( 3088 PWs) bands (ev): -23.2408 -23.2408 -16.9740 -16.9738 -16.8156 -16.8155 -16.7921 -16.7921 -6.3176 -6.3171 -4.1308 -4.1302 -3.9655 -3.9646 -3.7981 -3.7981 -0.4170 -0.4150 0.0481 0.0487 0.0786 0.0826 0.3114 0.3232 0.3754 0.3755 2.2162 2.2204 2.3172 2.3387 2.5738 2.5765 3.2032 3.2388 3.2992 3.3551 3.6528 3.6562 3.7464 3.7703 3.8176 3.8623 8.4298 8.4303 10.6440 10.6622 10.9761 10.9846 11.0297 11.0326 k = 0.3015 0.3145 0.6150 ( 3080 PWs) bands (ev): -23.2408 -23.2407 -16.9743 -16.9740 -16.8161 -16.8159 -16.7915 -16.7914 -6.3181 -6.3174 -4.1293 -4.1289 -3.9740 -3.9732 -3.7832 -3.7831 -0.4215 -0.4191 0.0288 0.0289 0.0693 0.0734 0.3316 0.3439 0.3745 0.3747 2.2086 2.2143 2.3203 2.3433 2.5794 2.5812 3.1956 3.2322 3.2961 3.3563 3.6417 3.6478 3.7540 3.7741 3.8255 3.8751 8.4449 8.4454 10.6398 10.6603 10.9837 10.9935 11.0426 11.0455 k = 0.3088 0.3222 0.6040 ( 3084 PWs) bands (ev): -23.2407 -23.2407 -16.9747 -16.9743 -16.8165 -16.8163 -16.7909 -16.7908 -6.3183 -6.3176 -4.1277 -4.1275 -3.9813 -3.9807 -3.7684 -3.7683 -0.4269 -0.4241 0.0088 0.0094 0.0610 0.0650 0.3494 0.3621 0.3733 0.3736 2.2015 2.2089 2.3232 2.3468 2.5859 2.5863 3.1882 3.2251 3.2931 3.3552 3.6311 3.6395 3.7611 3.7770 3.8355 3.8884 8.4624 8.4630 10.6358 10.6584 10.9926 11.0035 11.0564 11.0592 k = 0.3162 0.3298 0.5929 ( 3076 PWs) bands (ev): -23.2407 -23.2407 -16.9752 -16.9747 -16.8170 -16.8167 -16.7902 -16.7901 -6.3183 -6.3175 -4.1259 -4.1258 -3.9873 -3.9870 -3.7538 -3.7537 -0.4331 -0.4300 -0.0112 -0.0101 0.0534 0.0572 0.3639 0.3711 0.3731 0.3784 2.1952 2.2042 2.3260 2.3495 2.5919 2.5932 3.1811 3.2176 3.2904 3.3519 3.6212 3.6314 3.7675 3.7791 3.8479 3.9021 8.4822 8.4829 10.6323 10.6566 11.0027 11.0145 11.0709 11.0737 k = 0.3235 0.3375 0.5818 ( 3070 PWs) bands (ev): -23.2407 -23.2406 -16.9758 -16.9751 -16.8175 -16.8171 -16.7897 -16.7895 -6.3180 -6.3171 -4.1243 -4.1238 -3.9920 -3.9919 -3.7394 -3.7393 -0.4402 -0.4367 -0.0311 -0.0297 0.0467 0.0502 0.3680 0.3690 0.3800 0.3913 2.1896 2.2004 2.3285 2.3513 2.5980 2.6012 3.1742 3.2098 3.2879 3.3468 3.6119 3.6233 3.7727 3.7806 3.8624 3.9160 8.5044 8.5052 10.6293 10.6552 11.0138 11.0263 11.0860 11.0886 k = 0.3309 0.3452 0.5707 ( 3070 PWs) bands (ev): -23.2406 -23.2406 -16.9764 -16.9756 -16.8179 -16.8175 -16.7891 -16.7888 -6.3173 -6.3164 -4.1226 -4.1215 -3.9959 -3.9953 -3.7253 -3.7251 -0.4481 -0.4443 -0.0509 -0.0493 0.0408 0.0439 0.3659 0.3663 0.3900 0.4017 2.1849 2.1975 2.3309 2.3523 2.6044 2.6099 3.1675 3.2017 3.2856 3.3400 3.6032 3.6154 3.7768 3.7814 3.8789 3.9300 8.5289 8.5297 10.6269 10.6542 11.0257 11.0388 11.1014 11.1039 k = 0.3382 0.3528 0.5596 ( 3072 PWs) bands (ev): -23.2405 -23.2405 -16.9771 -16.9762 -16.8184 -16.8179 -16.7886 -16.7883 -6.3163 -6.3152 -4.1207 -4.1190 -3.9986 -3.9974 -3.7115 -3.7114 -0.4570 -0.4529 -0.0705 -0.0686 0.0356 0.0384 0.3628 0.3630 0.3977 0.4092 2.1812 2.1955 2.3332 2.3527 2.6113 2.6193 3.1609 3.1934 3.2836 3.3318 3.5948 3.6076 3.7800 3.7816 3.8969 3.9438 8.5556 8.5565 10.6253 10.6537 11.0381 11.0517 11.1171 11.1194 k = 0.3456 0.3605 0.5485 ( 3072 PWs) bands (ev): -23.2404 -23.2404 -16.9780 -16.9768 -16.8188 -16.8183 -16.7882 -16.7877 -6.3148 -6.3137 -4.1186 -4.1162 -4.0003 -3.9982 -3.6982 -3.6980 -0.4667 -0.4624 -0.0899 -0.0877 0.0312 0.0336 0.3591 0.3591 0.4030 0.4139 2.1784 2.1945 2.3354 2.3525 2.6186 2.6293 3.1545 3.1848 3.2819 3.3226 3.5868 3.5998 3.7814 3.7823 3.9160 3.9574 8.5845 8.5854 10.6245 10.6538 11.0509 11.0648 11.1328 11.1349 k = 0.3529 0.3682 0.5375 ( 3073 PWs) bands (ev): -23.2402 -23.2402 -16.9789 -16.9775 -16.8192 -16.8186 -16.7878 -16.7873 -6.3128 -6.3117 -4.1162 -4.1130 -4.0009 -3.9980 -3.6852 -3.6851 -0.4774 -0.4728 -0.1089 -0.1065 0.0276 0.0296 0.3547 0.3548 0.4056 0.4159 2.1766 2.1945 2.3375 2.3519 2.6263 2.6398 3.1482 3.1761 3.2804 3.3127 3.5791 3.5921 3.7808 3.7840 3.9358 3.9707 8.6155 8.6164 10.6244 10.6546 11.0639 11.0782 11.1482 11.1501 k = 0.3603 0.3758 0.5264 ( 3079 PWs) bands (ev): -23.2401 -23.2400 -16.9798 -16.9783 -16.8196 -16.8189 -16.7876 -16.7869 -6.3104 -6.3092 -4.1136 -4.1094 -4.0006 -3.9967 -3.6728 -3.6726 -0.4888 -0.4842 -0.1276 -0.1250 0.0246 0.0264 0.3497 0.3499 0.4057 0.4151 2.1757 2.1954 2.3395 2.3509 2.6344 2.6508 3.1420 3.1671 3.2791 3.3022 3.5716 3.5844 3.7798 3.7851 3.9559 3.9836 8.6485 8.6494 10.6250 10.6559 11.0770 11.0915 11.1633 11.1649 k = 0.3676 0.3835 0.5153 ( 3074 PWs) bands (ev): -23.2399 -23.2398 -16.9809 -16.9792 -16.8200 -16.8192 -16.7874 -16.7866 -6.3075 -6.3062 -4.1105 -4.1053 -3.9994 -3.9945 -3.6609 -3.6607 -0.5011 -0.4964 -0.1458 -0.1430 0.0223 0.0237 0.3441 0.3445 0.4034 0.4117 2.1759 2.1974 2.3415 2.3495 2.6428 2.6623 3.1361 3.1578 3.2780 3.2914 3.5644 3.5769 3.7786 3.7858 3.9761 3.9961 8.6834 8.6843 10.6264 10.6578 11.0901 11.1048 11.1778 11.1791 k = 0.3750 0.3912 0.5042 ( 3076 PWs) bands (ev): -23.2396 -23.2396 -16.9820 -16.9802 -16.8203 -16.8195 -16.7872 -16.7864 -6.3041 -6.3027 -4.1069 -4.1007 -3.9974 -3.9914 -3.6495 -3.6493 -0.5142 -0.5094 -0.1635 -0.1605 0.0205 0.0217 0.3381 0.3385 0.3987 0.4058 2.1771 2.2003 2.3435 2.3478 2.6516 2.6743 3.1302 3.1482 3.2771 3.2806 3.5573 3.5693 3.7770 3.7861 3.9961 4.0079 8.7201 8.7210 10.6284 10.6602 11.1030 11.1179 11.1915 11.1925 k = 0.3824 0.3989 0.4931 ( 3069 PWs) bands (ev): -23.2394 -23.2394 -16.9832 -16.9812 -16.8206 -16.8197 -16.7872 -16.7862 -6.3001 -6.2988 -4.1028 -4.0954 -3.9947 -3.9876 -3.6388 -3.6385 -0.5279 -0.5232 -0.1807 -0.1775 0.0193 0.0203 0.3315 0.3320 0.3919 0.3976 2.1792 2.2041 2.3454 2.3459 2.6607 2.6867 3.1245 3.1383 3.2700 3.2764 3.5504 3.5618 3.7751 3.7861 4.0157 4.0191 8.7584 8.7592 10.6309 10.6631 11.1157 11.1306 11.2041 11.2048 k = 0.3897 0.4065 0.4820 ( 3065 PWs) bands (ev): -23.2391 -23.2391 -16.9845 -16.9823 -16.8208 -16.8198 -16.7872 -16.7862 -6.2958 -6.2943 -4.0981 -4.0896 -3.9915 -3.9830 -3.6286 -3.6284 -0.5424 -0.5377 -0.1973 -0.1940 0.0185 0.0192 0.3244 0.3250 0.3831 0.3873 2.1822 2.2088 2.3436 2.3473 2.6701 2.6995 3.1190 3.1281 3.2597 3.2757 3.5436 3.5543 3.7730 3.7858 4.0296 4.0346 8.7982 8.7989 10.6338 10.6663 11.1281 11.1430 11.2155 11.2159 k = 0.3971 0.4142 0.4710 ( 3065 PWs) bands (ev): -23.2388 -23.2388 -16.9859 -16.9835 -16.8210 -16.8200 -16.7874 -16.7862 -6.2909 -6.2895 -4.0929 -4.0831 -3.9876 -3.9779 -3.6192 -3.6189 -0.5574 -0.5528 -0.2132 -0.2097 0.0181 0.0185 0.3168 0.3175 0.3725 0.3751 2.1860 2.2143 2.3411 2.3490 2.6798 2.7127 3.1138 3.1175 3.2498 3.2752 3.5369 3.5468 3.7707 3.7852 4.0392 4.0527 8.8392 8.8399 10.6370 10.6697 11.1401 11.1550 11.2256 11.2256 k = 0.4044 0.4219 0.4599 ( 3065 PWs) bands (ev): -23.2385 -23.2385 -16.9873 -16.9848 -16.8212 -16.8201 -16.7876 -16.7863 -6.2856 -6.2841 -4.0871 -4.0759 -3.9833 -3.9721 -3.6104 -3.6102 -0.5728 -0.5685 -0.2285 -0.2249 0.0178 0.0181 0.3088 0.3096 0.3603 0.3612 2.1906 2.2205 2.3382 2.3506 2.6898 2.7262 3.1066 3.1088 3.2404 3.2748 3.5305 3.5393 3.7683 3.7844 4.0479 4.0699 8.8813 8.8819 10.6404 10.6732 11.1516 11.1665 11.2337 11.2340 k = 0.4118 0.4295 0.4488 ( 3066 PWs) bands (ev): -23.2382 -23.2381 -16.9888 -16.9861 -16.8213 -16.8201 -16.7878 -16.7865 -6.2800 -6.2785 -4.0807 -4.0681 -3.9785 -3.9659 -3.6024 -3.6021 -0.5887 -0.5846 -0.2430 -0.2393 0.0176 0.0177 0.3005 0.3014 0.3459 0.3469 2.1959 2.2273 2.3351 2.3520 2.7000 2.7401 3.0954 3.1041 3.2316 3.2745 3.5242 3.5318 3.7656 3.7834 4.0557 4.0860 8.9241 8.9247 10.6439 10.6768 11.1626 11.1773 11.2402 11.2408 k = 0.4191 0.4372 0.4377 ( 3072 PWs) bands (ev): -23.2378 -23.2378 -16.9904 -16.9875 -16.8214 -16.8201 -16.7882 -16.7868 -6.2740 -6.2725 -4.0738 -4.0597 -3.9732 -3.9591 -3.5950 -3.5948 -0.6050 -0.6011 -0.2568 -0.2529 0.0171 0.0175 0.2918 0.2927 0.3295 0.3324 2.2018 2.2347 2.3316 2.3532 2.7104 2.7542 3.0840 3.0998 3.2234 3.2742 3.5180 3.5244 3.7629 3.7822 4.0624 4.1009 8.9676 8.9680 10.6474 10.6802 11.1730 11.1876 11.2449 11.2459 k = 0.4265 0.4449 0.4266 ( 3074 PWs) bands (ev): -23.2374 -23.2374 -16.9920 -16.9890 -16.8214 -16.8201 -16.7885 -16.7871 -6.2677 -6.2662 -4.0664 -4.0508 -3.9674 -3.9517 -3.5885 -3.5882 -0.6214 -0.6178 -0.2698 -0.2658 0.0164 0.0171 0.2827 0.2837 0.3123 0.3173 2.2083 2.2425 2.3277 2.3543 2.7211 2.7686 3.0725 3.0960 3.2159 3.2740 3.5122 3.5169 3.7601 3.7809 4.0681 4.1145 9.0112 9.0115 10.6507 10.6835 11.1828 11.1973 11.2479 11.2491 k = 0.4338 0.4525 0.4155 ( 3080 PWs) bands (ev): -23.2371 -23.2370 -16.9936 -16.9905 -16.8214 -16.8200 -16.7889 -16.7874 -6.2612 -6.2597 -4.0586 -4.0415 -3.9611 -3.9439 -3.5826 -3.5823 -0.6380 -0.6346 -0.2820 -0.2779 0.0151 0.0163 0.2733 0.2744 0.2949 0.3019 2.2152 2.2507 2.3236 2.3550 2.7320 2.7833 3.0610 3.0926 3.2090 3.2738 3.5065 3.5094 3.7572 3.7795 4.0726 4.1268 9.0547 9.0550 10.6539 10.6866 11.1920 11.2062 11.2491 11.2506 k = 0.4412 0.4602 0.4045 ( 3082 PWs) bands (ev): -23.2367 -23.2367 -16.9953 -16.9921 -16.8214 -16.8199 -16.7894 -16.7878 -6.2545 -6.2530 -4.0504 -4.0320 -3.9542 -3.9354 -3.5776 -3.5773 -0.6546 -0.6515 -0.2933 -0.2891 0.0130 0.0149 0.2632 0.2647 0.2778 0.2867 2.2225 2.2592 2.3191 2.3556 2.7430 2.7981 3.0496 3.0897 3.2028 3.2737 3.5010 3.5020 3.7543 3.7779 4.0761 4.1377 9.0978 9.0979 10.6568 10.6893 11.2006 11.2144 11.2487 11.2503 k = 0.4485 0.4679 0.3934 ( 3080 PWs) bands (ev): -23.2363 -23.2363 -16.9970 -16.9938 -16.8213 -16.8198 -16.7898 -16.7882 -6.2478 -6.2463 -4.0422 -4.0223 -3.9466 -3.9264 -3.5733 -3.5729 -0.6711 -0.6683 -0.3038 -0.2995 0.0099 0.0124 0.2517 0.2546 0.2625 0.2723 2.2301 2.2679 2.3145 2.3559 2.7543 2.8132 3.0386 3.0873 3.1971 3.2736 3.4946 3.4959 3.7514 3.7763 4.0783 4.1472 9.1399 9.1399 10.6595 10.6918 11.2083 11.2214 11.2471 11.2486 k = 0.4559 0.4756 0.3823 ( 3075 PWs) bands (ev): -23.2359 -23.2359 -16.9988 -16.9954 -16.8212 -16.8196 -16.7902 -16.7887 -6.2411 -6.2395 -4.0338 -4.0128 -3.9382 -3.9167 -3.5697 -3.5694 -0.6874 -0.6849 -0.3134 -0.3091 0.0055 0.0088 0.2379 0.2440 0.2502 0.2592 2.2378 2.2766 2.3096 2.3559 2.7656 2.8284 3.0279 3.0855 3.1920 3.2736 3.4873 3.4911 3.7486 3.7746 4.0794 4.1552 9.1806 9.1807 10.6620 10.6939 11.2149 11.2264 11.2455 11.2457 k = 0.4632 0.4832 0.3712 ( 3087 PWs) bands (ev): -23.2355 -23.2355 -17.0005 -16.9971 -16.8211 -16.8194 -16.7907 -16.7891 -6.2344 -6.2328 -4.0255 -4.0036 -3.9287 -3.9064 -3.5669 -3.5666 -0.7034 -0.7011 -0.3221 -0.3178 -0.0005 0.0035 0.2234 0.2330 0.2399 0.2475 2.2456 2.2853 2.3046 2.3557 2.7770 2.8436 3.0177 3.0842 3.1874 3.2735 3.4800 3.4865 3.7457 3.7728 4.0791 4.1616 9.2195 9.2196 10.6642 10.6958 11.2195 11.2268 11.2429 11.2463 k = 0.4706 0.4909 0.3601 ( 3087 PWs) bands (ev): -23.2351 -23.2351 -17.0023 -16.9988 -16.8209 -16.8191 -16.7911 -16.7896 -6.2278 -6.2263 -4.0174 -3.9950 -3.9182 -3.8953 -3.5649 -3.5645 -0.7190 -0.7170 -0.3300 -0.3256 -0.0084 -0.0037 0.2098 0.2224 0.2305 0.2373 2.2534 2.2939 2.2996 2.3553 2.7885 2.8588 3.0081 3.0836 3.1832 3.2735 3.4728 3.4823 3.7429 3.7710 4.0778 4.1665 9.2561 9.2562 10.6664 10.6976 11.2198 11.2223 11.2424 11.2502 k = 0.4779 0.4986 0.3490 ( 3084 PWs) bands (ev): -23.2347 -23.2347 -17.0040 -17.0005 -16.8207 -16.8188 -16.7915 -16.7900 -6.2215 -6.2201 -4.0095 -3.9872 -3.9066 -3.8836 -3.5636 -3.5632 -0.7340 -0.7322 -0.3371 -0.3326 -0.0183 -0.0131 0.1980 0.2128 0.2216 0.2281 2.2608 2.2949 2.3023 2.3546 2.8000 2.8740 2.9993 3.0835 3.1795 3.2735 3.4657 3.4784 3.7403 3.7692 4.0752 4.1699 9.2898 9.2899 10.6688 10.6993 11.2149 11.2151 11.2453 11.2553 k = 0.4853 0.5062 0.3379 ( 3084 PWs) bands (ev): -23.2343 -23.2343 -17.0057 -17.0022 -16.8205 -16.8185 -16.7919 -16.7905 -6.2156 -6.2141 -4.0021 -3.9801 -3.8939 -3.8711 -3.5630 -3.5626 -0.7484 -0.7468 -0.3433 -0.3388 -0.0303 -0.0246 0.1884 0.2044 0.2131 0.2198 2.2675 2.2909 2.3104 2.3538 2.8114 2.8891 2.9914 3.0839 3.1761 3.2735 3.4588 3.4750 3.7377 3.7674 4.0713 4.1717 9.3202 9.3202 10.6713 10.7011 11.2059 11.2072 11.2498 11.2606 k = 0.4926 0.5139 0.3269 ( 3087 PWs) bands (ev): -23.2340 -23.2340 -17.0074 -17.0039 -16.8202 -16.8182 -16.7923 -16.7909 -6.2100 -6.2085 -3.9951 -3.9738 -3.8802 -3.8581 -3.5631 -3.5626 -0.7620 -0.7606 -0.3486 -0.3442 -0.0441 -0.0383 0.1808 0.1973 0.2051 0.2125 2.2719 2.2892 2.3181 2.3530 2.8227 2.9039 2.9843 3.0849 3.1730 3.2734 3.4520 3.4719 3.7353 3.7654 4.0662 4.1719 9.3466 9.3467 10.6743 10.7032 11.1958 11.1976 11.2547 11.2657 k = 0.5000 0.5216 0.3158 ( 3092 PWs) bands (ev): -23.2337 -23.2337 -17.0090 -17.0055 -16.8199 -16.8178 -16.7926 -16.7912 -6.2048 -6.2035 -3.9886 -3.9682 -3.8657 -3.8445 -3.5639 -3.5634 -0.7746 -0.7735 -0.3532 -0.3487 -0.0594 -0.0538 0.1752 0.1912 0.1977 0.2065 2.2721 2.2916 2.3253 2.3522 2.8338 2.9184 2.9784 3.0865 3.1702 3.2733 3.4455 3.4693 3.7330 3.7635 4.0599 4.1706 9.3686 9.3689 10.6779 10.7057 11.1849 11.1869 11.2595 11.2705 k = 0.5000 0.5216 0.3158 ( 3092 PWs) bands (ev): -23.2337 -23.2337 -17.0090 -17.0055 -16.8199 -16.8178 -16.7926 -16.7912 -6.2048 -6.2035 -3.9886 -3.9682 -3.8657 -3.8445 -3.5639 -3.5634 -0.7746 -0.7735 -0.3532 -0.3487 -0.0594 -0.0538 0.1752 0.1912 0.1977 0.2065 2.2721 2.2916 2.3253 2.3522 2.8338 2.9184 2.9784 3.0865 3.1702 3.2733 3.4455 3.4693 3.7330 3.7635 4.0599 4.1706 9.3686 9.3689 10.6779 10.7057 11.1849 11.1869 11.2595 11.2705 k = 0.5000 0.5216 0.3007 ( 3084 PWs) bands (ev): -23.2333 -23.2332 -17.0111 -17.0076 -16.8195 -16.8173 -16.7929 -16.7917 -6.1984 -6.1970 -3.9804 -3.9613 -3.8457 -3.8256 -3.5653 -3.5648 -0.7908 -0.7899 -0.3588 -0.3544 -0.0812 -0.0758 0.1689 0.1831 0.1883 0.1997 2.2690 2.2995 2.3345 2.3524 2.8482 2.9378 2.9715 3.0891 3.1666 3.2731 3.4370 3.4664 3.7300 3.7607 4.0494 4.1665 9.3920 9.3927 10.6851 10.7112 11.1693 11.1715 11.2657 11.2766 k = 0.5000 0.5216 0.2857 ( 3084 PWs) bands (ev): -23.2329 -23.2328 -17.0132 -17.0098 -16.8191 -16.8169 -16.7932 -16.7921 -6.1922 -6.1909 -3.9726 -3.9547 -3.8256 -3.8068 -3.5668 -3.5662 -0.8062 -0.8054 -0.3644 -0.3600 -0.1030 -0.0978 0.1625 0.1744 0.1795 0.1937 2.2664 2.3088 2.3435 2.3549 2.8615 2.9570 2.9658 3.0918 3.1632 3.2731 3.4286 3.4641 3.7270 3.7577 4.0367 4.1599 9.4088 9.4099 10.6954 10.7197 11.1531 11.1554 11.2714 11.2820 k = 0.5000 0.5216 0.2707 ( 3076 PWs) bands (ev): -23.2324 -23.2324 -17.0152 -17.0119 -16.8187 -16.8165 -16.7934 -16.7924 -6.1863 -6.1851 -3.9652 -3.9486 -3.8058 -3.7880 -3.5682 -3.5676 -0.8206 -0.8200 -0.3699 -0.3656 -0.1244 -0.1197 0.1559 0.1656 0.1713 0.1880 2.2654 2.3187 2.3516 2.3603 2.8733 2.9619 2.9759 3.0946 3.1600 3.2735 3.4204 3.4624 3.7239 3.7544 4.0218 4.1509 9.4193 9.4208 10.7086 10.7309 11.1365 11.1388 11.2766 11.2869 k = 0.5000 0.5216 0.2556 ( 3086 PWs) bands (ev): -23.2321 -23.2321 -17.0172 -17.0140 -16.8184 -16.8161 -16.7936 -16.7928 -6.1808 -6.1796 -3.9583 -3.9428 -3.7862 -3.7694 -3.5695 -3.5689 -0.8339 -0.8334 -0.3752 -0.3710 -0.1455 -0.1411 0.1487 0.1567 0.1638 0.1822 2.2659 2.3288 2.3587 2.3686 2.8826 2.9604 2.9943 3.0973 3.1570 3.2741 3.4124 3.4613 3.7208 3.7508 4.0048 4.1394 9.4237 9.4257 10.7240 10.7444 11.1196 11.1219 11.2812 11.2911 k = 0.5000 0.5216 0.2406 ( 3078 PWs) bands (ev): -23.2317 -23.2317 -17.0191 -17.0160 -16.8181 -16.8158 -16.7937 -16.7930 -6.1755 -6.1745 -3.9519 -3.9374 -3.7669 -3.7512 -3.5708 -3.5701 -0.8460 -0.8457 -0.3804 -0.3763 -0.1661 -0.1621 0.1411 0.1480 0.1569 0.1761 2.2681 2.3392 2.3655 2.3789 2.8890 2.9621 3.0121 3.0999 3.1542 3.2750 3.4051 3.4611 3.7179 3.7471 3.9858 4.1256 9.4228 9.4252 10.7412 10.7595 11.1028 11.1050 11.2852 11.2947 k = 0.5000 0.5216 0.2256 ( 3074 PWs) bands (ev): -23.2313 -23.2313 -17.0209 -17.0179 -16.8178 -16.8154 -16.7938 -16.7932 -6.1706 -6.1696 -3.9459 -3.9325 -3.7482 -3.7334 -3.5720 -3.5712 -0.8569 -0.8567 -0.3855 -0.3815 -0.1861 -0.1824 0.1334 0.1395 0.1502 0.1698 2.2720 2.3496 2.3725 2.3905 2.8925 2.9670 3.0291 3.1023 3.1518 3.2760 3.3989 3.4617 3.7149 3.7431 3.9651 4.1095 9.4172 9.4199 10.7594 10.7758 11.0861 11.0881 11.2886 11.2977 k = 0.5000 0.5216 0.2105 ( 3074 PWs) bands (ev): -23.2310 -23.2310 -17.0227 -17.0198 -16.8175 -16.8152 -16.7939 -16.7934 -6.1661 -6.1652 -3.9404 -3.9280 -3.7301 -3.7162 -3.5731 -3.5723 -0.8665 -0.8663 -0.3903 -0.3866 -0.2053 -0.2019 0.1257 0.1313 0.1436 0.1630 2.2774 2.3601 2.3794 2.4031 2.8937 2.9745 3.0450 3.1044 3.1496 3.2768 3.3941 3.4631 3.7121 3.7387 3.9427 4.0914 9.4077 9.4107 10.7780 10.7927 11.0697 11.0716 11.2915 11.3000 k = 0.5000 0.5216 0.1955 ( 3068 PWs) bands (ev): -23.2307 -23.2307 -17.0243 -17.0216 -16.8172 -16.8150 -16.7939 -16.7935 -6.1619 -6.1610 -3.9354 -3.9239 -3.7127 -3.6997 -3.5741 -3.5732 -0.8749 -0.8748 -0.3950 -0.3914 -0.2237 -0.2206 0.1182 0.1234 0.1369 0.1558 2.2842 2.3705 2.3862 2.4166 2.8940 2.9835 3.0597 3.1062 3.1478 3.2767 3.3918 3.4656 3.7094 3.7341 3.9190 4.0712 9.3953 9.3984 10.7965 10.8095 11.0539 11.0555 11.2939 11.3018 k = 0.5000 0.5216 0.1804 ( 3080 PWs) bands (ev): -23.2304 -23.2304 -17.0258 -17.0233 -16.8170 -16.8148 -16.7939 -16.7936 -6.1581 -6.1573 -3.9308 -3.9202 -3.6961 -3.6840 -3.5749 -3.5741 -0.8820 -0.8819 -0.3994 -0.3960 -0.2411 -0.2383 0.1110 0.1160 0.1302 0.1482 2.2923 2.3810 2.3926 2.4307 2.8944 2.9931 3.0727 3.1079 3.1463 3.2748 3.3924 3.4689 3.7070 3.7292 3.8941 4.0492 9.3807 9.3838 10.8142 10.8258 11.0386 11.0401 11.2957 11.3031 k = 0.5000 0.5216 0.1654 ( 3072 PWs) bands (ev): -23.2301 -23.2301 -17.0273 -17.0249 -16.8168 -16.8147 -16.7939 -16.7937 -6.1546 -6.1538 -3.9266 -3.9170 -3.6805 -3.6693 -3.5757 -3.5747 -0.8880 -0.8879 -0.4035 -0.4004 -0.2575 -0.2549 0.1042 0.1089 0.1234 0.1404 2.3014 2.3914 2.3985 2.4449 2.8959 3.0027 3.0833 3.1100 3.1452 3.2707 3.3969 3.4733 3.7049 3.7240 3.8683 4.0256 9.3646 9.3677 10.8310 10.8412 11.0243 11.0255 11.2971 11.3039 k = 0.5000 0.5216 0.1504 ( 3072 PWs) bands (ev): -23.2298 -23.2298 -17.0286 -17.0263 -16.8166 -16.8146 -16.7939 -16.7937 -6.1514 -6.1507 -3.9229 -3.9142 -3.6660 -3.6556 -3.5762 -3.5752 -0.8929 -0.8928 -0.4073 -0.4044 -0.2727 -0.2703 0.0977 0.1024 0.1167 0.1323 2.3113 2.4017 2.4037 2.4587 2.8990 3.0121 3.0904 3.1137 3.1445 3.2639 3.4055 3.4787 3.7032 3.7184 3.8419 4.0005 9.3478 9.3507 10.8465 10.8554 11.0110 11.0119 11.2980 11.3042 k = 0.5000 0.5216 0.1353 ( 3072 PWs) bands (ev): -23.2296 -23.2296 -17.0298 -17.0277 -16.8164 -16.8145 -16.7938 -16.7937 -6.1486 -6.1480 -3.9195 -3.9117 -3.6526 -3.6432 -3.5766 -3.5755 -0.8968 -0.8967 -0.4109 -0.4082 -0.2866 -0.2845 0.0916 0.0962 0.1102 0.1243 2.3219 2.4082 2.4119 2.4716 2.9044 3.0210 3.0934 3.1194 3.1442 3.2543 3.4178 3.4852 3.7019 3.7126 3.8151 3.9740 9.3308 9.3336 10.8603 10.8682 10.9989 10.9995 11.2986 11.3042 k = 0.5000 0.5216 0.1203 ( 3080 PWs) bands (ev): -23.2294 -23.2294 -17.0308 -17.0290 -16.8162 -16.8145 -16.7938 -16.7937 -6.1461 -6.1455 -3.9166 -3.9096 -3.6406 -3.6321 -3.5766 -3.5756 -0.8998 -0.8998 -0.4141 -0.4117 -0.2993 -0.2974 0.0860 0.0906 0.1040 0.1164 2.3328 2.4119 2.4220 2.4830 2.9122 3.0293 3.0935 3.1259 3.1443 3.2423 3.4336 3.4927 3.7012 3.7063 3.7884 3.9466 9.3143 9.3169 10.8723 10.8793 10.9883 10.9885 11.2989 11.3039 k = 0.5000 0.5216 0.1053 ( 3082 PWs) bands (ev): -23.2292 -23.2292 -17.0318 -17.0302 -16.8160 -16.8145 -16.7937 -16.7937 -6.1439 -6.1434 -3.9140 -3.9079 -3.6301 -3.6225 -3.5763 -3.5753 -0.9020 -0.9020 -0.4169 -0.4149 -0.3106 -0.3088 0.0809 0.0854 0.0982 0.1089 2.3438 2.4147 2.4320 2.4924 2.9230 3.0371 3.0919 3.1322 3.1448 3.2280 3.4521 3.5014 3.6996 3.7009 3.7623 3.9185 9.2987 9.3010 10.8823 10.8885 10.9791 10.9792 11.2991 11.3035 k = 0.5000 0.5216 0.0902 ( 3082 PWs) bands (ev): -23.2290 -23.2290 -17.0326 -17.0312 -16.8158 -16.8145 -16.7937 -16.7936 -6.1420 -6.1416 -3.9117 -3.9065 -3.6211 -3.6146 -3.5755 -3.5746 -0.9036 -0.9036 -0.4194 -0.4176 -0.3204 -0.3189 0.0763 0.0807 0.0931 0.1019 2.3547 2.4166 2.4418 2.4995 2.9368 3.0443 3.0894 3.1377 3.1456 3.2117 3.4728 3.5112 3.6923 3.7008 3.7376 3.8900 9.2844 9.2865 10.8903 10.8957 10.9716 10.9720 11.2991 11.3029 k = 0.5000 0.5216 0.0752 ( 3078 PWs) bands (ev): -23.2289 -23.2289 -17.0332 -17.0321 -16.8157 -16.8145 -16.7936 -16.7936 -6.1404 -6.1401 -3.9098 -3.9055 -3.6139 -3.6085 -3.5742 -3.5736 -0.9048 -0.9048 -0.4215 -0.4201 -0.3288 -0.3275 0.0722 0.0764 0.0887 0.0957 2.3653 2.4175 2.4514 2.5040 2.9534 3.0511 3.0861 3.1423 3.1466 3.1936 3.4952 3.5220 3.6843 3.6974 3.7182 3.8618 9.2718 9.2735 10.8961 10.9007 10.9662 10.9667 11.2990 11.3022 k = 0.5000 0.5216 0.0601 ( 3078 PWs) bands (ev): -23.2288 -23.2288 -17.0338 -17.0328 -16.8155 -16.8146 -16.7936 -16.7935 -6.1391 -6.1389 -3.9081 -3.9047 -3.6083 -3.6041 -3.5726 -3.5722 -0.9055 -0.9055 -0.4233 -0.4221 -0.3356 -0.3346 0.0689 0.0727 0.0852 0.0904 2.3752 2.4173 2.4608 2.5061 2.9724 3.0577 3.0821 3.1457 3.1478 3.1739 3.5186 3.5340 3.6752 3.6817 3.7137 3.8342 9.2612 9.2625 10.8999 10.9037 10.9627 10.9633 11.2989 11.3015 k = 0.5000 0.5216 0.0451 ( 3074 PWs) bands (ev): -23.2287 -23.2287 -17.0342 -17.0334 -16.8154 -16.8147 -16.7935 -16.7935 -6.1381 -6.1379 -3.9068 -3.9042 -3.6042 -3.6013 -3.5708 -3.5707 -0.9059 -0.9059 -0.4246 -0.4237 -0.3409 -0.3401 0.0662 0.0694 0.0825 0.0862 2.3843 2.4161 2.4698 2.5057 2.9931 3.0643 3.0774 3.1479 3.1489 3.1533 3.5423 3.5470 3.6611 3.6648 3.7172 3.8081 9.2527 9.2537 10.9021 10.9049 10.9609 10.9614 11.2989 11.3008 k = 0.5000 0.5216 0.0301 ( 3086 PWs) bands (ev): -23.2286 -23.2286 -17.0344 -17.0339 -16.8152 -16.8147 -16.7935 -16.7935 -6.1374 -6.1373 -3.9057 -3.9040 -3.6015 -3.5996 -3.5693 -3.5692 -0.9062 -0.9062 -0.4255 -0.4249 -0.3447 -0.3442 0.0645 0.0668 0.0807 0.0830 2.3924 2.4137 2.4783 2.5032 3.0145 3.0714 3.0715 3.1312 3.1499 3.1501 3.5607 3.5647 3.6417 3.6526 3.7239 3.7842 9.2466 9.2473 10.9032 10.9051 10.9602 10.9606 11.2989 11.3002 k = 0.5000 0.5216 0.0150 ( 3090 PWs) bands (ev): -23.2286 -23.2286 -17.0345 -17.0343 -16.8151 -16.8149 -16.7935 -16.7935 -6.1369 -6.1369 -3.9049 -3.9041 -3.5998 -3.5989 -3.5683 -3.5682 -0.9063 -0.9063 -0.4260 -0.4257 -0.3469 -0.3466 0.0636 0.0648 0.0798 0.0809 2.3995 2.4101 2.4862 2.4989 3.0349 3.0636 3.0804 3.1107 3.1507 3.1509 3.5747 3.5826 3.6269 3.6388 3.7336 3.7636 9.2429 9.2433 10.9038 10.9047 10.9601 10.9603 11.2990 11.2996 k = 0.5000 0.5216 0.0000 ( 3090 PWs) bands (ev): -23.2286 -23.2286 -17.0344 -17.0344 -16.8150 -16.8150 -16.7935 -16.7935 -6.1368 -6.1368 -3.9044 -3.9044 -3.5990 -3.5990 -3.5679 -3.5679 -0.9064 -0.9064 -0.4261 -0.4261 -0.3476 -0.3476 0.0638 0.0638 0.0799 0.0799 2.4054 2.4054 2.4931 2.4931 3.0518 3.0518 3.0931 3.0931 3.1510 3.1510 3.5859 3.5859 3.6263 3.6263 3.7467 3.7467 9.2418 9.2418 10.9043 10.9043 10.9601 10.9601 11.2992 11.2992 k = 0.0000 0.0000 0.6926 ( 3086 PWs) bands (ev): -23.2412 -23.2412 -16.9706 -16.9706 -16.8285 -16.8285 -16.7796 -16.7796 -6.3433 -6.3433 -4.1940 -4.1940 -4.0909 -4.0909 -3.5375 -3.5375 -0.5437 -0.5437 -0.2584 -0.2584 0.2537 0.2537 0.3714 0.3714 0.5092 0.5092 2.1690 2.1690 2.5725 2.5725 2.7394 2.7394 3.1023 3.1023 3.2242 3.2242 3.5694 3.5694 3.7724 3.7724 3.8045 3.8045 8.3948 8.3948 10.9559 10.9559 10.9953 10.9953 11.2522 11.2522 k = 0.0104 0.0109 0.6926 ( 3078 PWs) bands (ev): -23.2412 -23.2412 -16.9706 -16.9706 -16.8285 -16.8285 -16.7796 -16.7796 -6.3432 -6.3432 -4.1934 -4.1934 -4.0910 -4.0910 -3.5383 -3.5383 -0.5432 -0.5432 -0.2574 -0.2574 0.2533 0.2533 0.3714 0.3714 0.5086 0.5086 2.1690 2.1690 2.5724 2.5724 2.7371 2.7371 3.1038 3.1038 3.2249 3.2249 3.5698 3.5698 3.7726 3.7726 3.8043 3.8043 8.3948 8.3948 10.9545 10.9545 10.9949 10.9949 11.2511 11.2511 k = 0.0208 0.0217 0.6926 ( 3070 PWs) bands (ev): -23.2412 -23.2412 -16.9706 -16.9706 -16.8283 -16.8283 -16.7797 -16.7797 -6.3428 -6.3428 -4.1917 -4.1917 -4.0915 -4.0915 -3.5408 -3.5408 -0.5417 -0.5417 -0.2544 -0.2544 0.2521 0.2521 0.3715 0.3715 0.5066 0.5066 2.1692 2.1692 2.5718 2.5718 2.7302 2.7302 3.1080 3.1080 3.2268 3.2268 3.5709 3.5709 3.7731 3.7731 3.8036 3.8036 8.3946 8.3946 10.9504 10.9504 10.9936 10.9936 11.2478 11.2478 k = 0.0312 0.0326 0.6926 ( 3064 PWs) bands (ev): -23.2411 -23.2411 -16.9707 -16.9707 -16.8281 -16.8281 -16.7799 -16.7799 -6.3422 -6.3422 -4.1887 -4.1887 -4.0922 -4.0922 -3.5449 -3.5449 -0.5392 -0.5392 -0.2495 -0.2495 0.2502 0.2502 0.3716 0.3716 0.5034 0.5034 2.1696 2.1696 2.5708 2.5708 2.7192 2.7192 3.1146 3.1146 3.2299 3.2299 3.5727 3.5727 3.7738 3.7738 3.8025 3.8025 8.3944 8.3944 10.9437 10.9437 10.9916 10.9916 11.2424 11.2424 k = 0.0417 0.0435 0.6926 ( 3062 PWs) bands (ev): -23.2411 -23.2411 -16.9707 -16.9707 -16.8278 -16.8278 -16.7803 -16.7803 -6.3414 -6.3414 -4.1847 -4.1847 -4.0933 -4.0933 -3.5507 -3.5507 -0.5358 -0.5358 -0.2426 -0.2426 0.2474 0.2474 0.3717 0.3717 0.4989 0.4989 2.1701 2.1701 2.5693 2.5693 2.7050 2.7050 3.1227 3.1227 3.2343 3.2343 3.5753 3.5753 3.7748 3.7748 3.8009 3.8009 8.3941 8.3941 10.9342 10.9342 10.9890 10.9890 11.2349 11.2349 k = 0.0521 0.0543 0.6926 ( 3068 PWs) bands (ev): -23.2411 -23.2411 -16.9708 -16.9708 -16.8275 -16.8275 -16.7806 -16.7806 -6.3404 -6.3404 -4.1795 -4.1795 -4.0946 -4.0946 -3.5580 -3.5580 -0.5314 -0.5314 -0.2339 -0.2339 0.2439 0.2439 0.3719 0.3719 0.4930 0.4930 2.1707 2.1707 2.5672 2.5672 2.6882 2.6882 3.1316 3.1316 3.2398 3.2398 3.5786 3.5786 3.7759 3.7759 3.7990 3.7990 8.3937 8.3937 10.9224 10.9224 10.9859 10.9859 11.2256 11.2256 k = 0.0625 0.0652 0.6926 ( 3070 PWs) bands (ev): -23.2411 -23.2411 -16.9710 -16.9710 -16.8270 -16.8270 -16.7811 -16.7811 -6.3392 -6.3392 -4.1732 -4.1732 -4.0960 -4.0960 -3.5668 -3.5668 -0.5262 -0.5262 -0.2233 -0.2233 0.2397 0.2397 0.3721 0.3721 0.4859 0.4859 2.1716 2.1716 2.5644 2.5644 2.6698 2.6698 3.1408 3.1408 3.2464 3.2464 3.5826 3.5826 3.7771 3.7771 3.7968 3.7968 8.3933 8.3933 10.9085 10.9085 10.9825 10.9825 11.2147 11.2147 k = 0.0729 0.0761 0.6926 ( 3082 PWs) bands (ev): -23.2411 -23.2411 -16.9711 -16.9711 -16.8265 -16.8265 -16.7817 -16.7817 -6.3378 -6.3378 -4.1659 -4.1659 -4.0977 -4.0977 -3.5771 -3.5771 -0.5202 -0.5202 -0.2110 -0.2110 0.2348 0.2348 0.3723 0.3723 0.4775 0.4775 2.1726 2.1726 2.5605 2.5605 2.6507 2.6507 3.1500 3.1500 3.2539 3.2539 3.5874 3.5874 3.7782 3.7782 3.7945 3.7945 8.3928 8.3928 10.8929 10.8929 10.9788 10.9788 11.2024 11.2024 k = 0.0833 0.0869 0.6926 ( 3090 PWs) bands (ev): -23.2411 -23.2411 -16.9712 -16.9712 -16.8259 -16.8259 -16.7823 -16.7823 -6.3362 -6.3362 -4.1577 -4.1577 -4.0993 -4.0993 -3.5888 -3.5888 -0.5135 -0.5135 -0.1970 -0.1970 0.2293 0.2293 0.3725 0.3725 0.4678 0.4678 2.1740 2.1740 2.5550 2.5550 2.6319 2.6319 3.1589 3.1589 3.2620 3.2620 3.5929 3.5929 3.7787 3.7787 3.7926 3.7926 8.3924 8.3924 10.8758 10.8758 10.9749 10.9749 11.1889 11.1889 k = 0.0938 0.0978 0.6926 ( 3082 PWs) bands (ev): -23.2410 -23.2410 -16.9714 -16.9714 -16.8252 -16.8252 -16.7830 -16.7830 -6.3346 -6.3346 -4.1487 -4.1487 -4.1006 -4.1006 -3.6018 -3.6018 -0.5060 -0.5060 -0.1814 -0.1814 0.2233 0.2233 0.3727 0.3727 0.4569 0.4569 2.1758 2.1758 2.5470 2.5470 2.6149 2.6149 3.1674 3.1674 3.2705 3.2705 3.5991 3.5991 3.7784 3.7784 3.7916 3.7916 8.3919 8.3919 10.8578 10.8578 10.9710 10.9710 11.1745 11.1745 k = 0.1042 0.1087 0.6926 ( 3082 PWs) bands (ev): -23.2410 -23.2410 -16.9716 -16.9716 -16.8245 -16.8245 -16.7837 -16.7837 -6.3328 -6.3328 -4.1395 -4.1395 -4.1014 -4.1014 -3.6160 -3.6160 -0.4980 -0.4980 -0.1644 -0.1644 0.2167 0.2167 0.3730 0.3730 0.4447 0.4447 2.1778 2.1778 2.5354 2.5354 2.6009 2.6009 3.1754 3.1754 3.2789 3.2789 3.6060 3.6060 3.7765 3.7765 3.7918 3.7918 8.3914 8.3914 10.8391 10.8391 10.9671 10.9671 11.1594 11.1594 k = 0.1146 0.1195 0.6926 ( 3070 PWs) bands (ev): -23.2410 -23.2410 -16.9717 -16.9717 -16.8237 -16.8237 -16.7845 -16.7845 -6.3310 -6.3310 -4.1310 -4.1310 -4.1005 -4.1005 -3.6314 -3.6314 -0.4896 -0.4896 -0.1459 -0.1459 0.2097 0.2097 0.3733 0.3733 0.4314 0.4314 2.1804 2.1804 2.5200 2.5200 2.5907 2.5907 3.1831 3.1831 3.2869 3.2869 3.6134 3.6134 3.7737 3.7737 3.7929 3.7929 8.3910 8.3910 10.8201 10.8201 10.9634 10.9634 11.1439 11.1439 k = 0.1250 0.1304 0.6926 ( 3074 PWs) bands (ev): -23.2409 -23.2409 -16.9719 -16.9719 -16.8228 -16.8228 -16.7854 -16.7854 -6.3292 -6.3292 -4.1252 -4.1252 -4.0960 -4.0960 -3.6478 -3.6478 -0.4808 -0.4808 -0.1263 -0.1263 0.2023 0.2023 0.3736 0.3736 0.4168 0.4168 2.1833 2.1833 2.5015 2.5015 2.5835 2.5835 3.1905 3.1905 3.2943 3.2943 3.6213 3.6213 3.7701 3.7701 3.7945 3.7945 8.3906 8.3906 10.8011 10.8011 10.9598 10.9598 11.1280 11.1280 k = 0.1354 0.1413 0.6926 ( 3078 PWs) bands (ev): -23.2409 -23.2409 -16.9721 -16.9721 -16.8220 -16.8220 -16.7863 -16.7863 -6.3273 -6.3273 -4.1230 -4.1230 -4.0868 -4.0868 -3.6651 -3.6651 -0.4717 -0.4717 -0.1054 -0.1054 0.1948 0.1948 0.3739 0.3739 0.4010 0.4010 2.1868 2.1868 2.4814 2.4814 2.5784 2.5784 3.1976 3.1976 3.3010 3.3010 3.6296 3.6296 3.7662 3.7662 3.7963 3.7963 8.3902 8.3902 10.7824 10.7824 10.9567 10.9567 11.1122 11.1122 k = 0.1458 0.1521 0.6926 ( 3074 PWs) bands (ev): -23.2409 -23.2409 -16.9723 -16.9723 -16.8210 -16.8210 -16.7872 -16.7872 -6.3255 -6.3255 -4.1232 -4.1232 -4.0744 -4.0744 -3.6833 -3.6833 -0.4626 -0.4626 -0.0835 -0.0835 0.1871 0.1871 0.3741 0.3741 0.3841 0.3841 2.1908 2.1908 2.4607 2.4607 2.5745 2.5745 3.2045 3.2045 3.3067 3.3067 3.6381 3.6381 3.7621 3.7621 3.7981 3.7981 8.3899 8.3899 10.7643 10.7643 10.9540 10.9540 11.0964 11.0964 k = 0.1562 0.1630 0.6926 ( 3074 PWs) bands (ev): -23.2408 -23.2408 -16.9724 -16.9724 -16.8201 -16.8201 -16.7882 -16.7882 -6.3237 -6.3237 -4.1244 -4.1244 -4.0599 -4.0599 -3.7022 -3.7022 -0.4536 -0.4536 -0.0608 -0.0608 0.1794 0.1794 0.3661 0.3661 0.3744 0.3744 2.1954 2.1954 2.4398 2.4398 2.5714 2.5714 3.2112 3.2112 3.3114 3.3114 3.6468 3.6468 3.7580 3.7580 3.7999 3.7999 8.3897 8.3897 10.7471 10.7471 10.9519 10.9519 11.0810 11.0810 k = 0.1667 0.1739 0.6926 ( 3074 PWs) bands (ev): -23.2408 -23.2408 -16.9726 -16.9726 -16.8192 -16.8192 -16.7891 -16.7891 -6.3220 -6.3220 -4.1260 -4.1260 -4.0441 -4.0441 -3.7217 -3.7217 -0.4449 -0.4449 -0.0373 -0.0373 0.1720 0.1720 0.3471 0.3471 0.3747 0.3747 2.2006 2.2006 2.4193 2.4193 2.5689 2.5689 3.2177 3.2177 3.3151 3.3151 3.6553 3.6553 3.7538 3.7538 3.8015 3.8015 8.3895 8.3895 10.7309 10.7309 10.9504 10.9504 11.0660 11.0660 k = 0.1771 0.1847 0.6926 ( 3070 PWs) bands (ev): -23.2408 -23.2408 -16.9727 -16.9727 -16.8183 -16.8183 -16.7901 -16.7901 -6.3205 -6.3205 -4.1278 -4.1278 -4.0273 -4.0273 -3.7417 -3.7417 -0.4365 -0.4365 -0.0131 -0.0131 0.1648 0.1648 0.3271 0.3271 0.3749 0.3749 2.2065 2.2065 2.3994 2.3994 2.5667 2.5667 3.2240 3.2240 3.3179 3.3179 3.6638 3.6638 3.7497 3.7497 3.8029 3.8029 8.3893 8.3893 10.7162 10.7162 10.9497 10.9497 11.0516 11.0516 k = 0.1875 0.1956 0.6926 ( 3074 PWs) bands (ev): -23.2408 -23.2408 -16.9729 -16.9729 -16.8174 -16.8174 -16.7910 -16.7910 -6.3190 -6.3190 -4.1294 -4.1294 -4.0096 -4.0096 -3.7622 -3.7622 -0.4288 -0.4288 0.0115 0.0115 0.1582 0.1582 0.3061 0.3061 0.3751 0.3751 2.2131 2.2131 2.3803 2.3803 2.5649 2.5649 3.2297 3.2297 3.3197 3.3197 3.6718 3.6718 3.7456 3.7456 3.8041 3.8041 8.3892 8.3892 10.7029 10.7029 10.9499 10.9499 11.0380 11.0380 k = 0.1979 0.2065 0.6926 ( 3076 PWs) bands (ev): -23.2407 -23.2407 -16.9730 -16.9730 -16.8165 -16.8165 -16.7918 -16.7918 -6.3178 -6.3178 -4.1310 -4.1310 -3.9913 -3.9913 -3.7830 -3.7830 -0.4218 -0.4218 0.0366 0.0366 0.1522 0.1522 0.2843 0.2843 0.3753 0.3753 2.2204 2.2204 2.3622 2.3622 2.5634 2.5634 3.2350 3.2350 3.3209 3.3209 3.6794 3.6794 3.7416 3.7416 3.8052 3.8052 8.3891 8.3891 10.6914 10.6914 10.9509 10.9509 11.0253 11.0253 k = 0.2083 0.2173 0.6926 ( 3076 PWs) bands (ev): -23.2407 -23.2407 -16.9731 -16.9731 -16.8158 -16.8158 -16.7926 -16.7926 -6.3168 -6.3168 -4.1323 -4.1323 -3.9723 -3.9723 -3.8039 -3.8039 -0.4159 -0.4159 0.0618 0.0618 0.1471 0.1471 0.2618 0.2618 0.3755 0.3755 2.2283 2.2283 2.3453 2.3453 2.5622 2.5622 3.2397 3.2397 3.3215 3.3215 3.6863 3.6863 3.7378 3.7378 3.8060 3.8060 8.3891 8.3891 10.6818 10.6818 10.9528 10.9528 11.0136 11.0136 k = 0.2188 0.2282 0.6926 ( 3088 PWs) bands (ev): -23.2407 -23.2407 -16.9732 -16.9732 -16.8152 -16.8152 -16.7933 -16.7933 -6.3159 -6.3159 -4.1334 -4.1334 -3.9529 -3.9529 -3.8249 -3.8249 -0.4110 -0.4110 0.0869 0.0869 0.1432 0.1432 0.2385 0.2385 0.3756 0.3756 2.2365 2.2365 2.3299 2.3299 2.5613 2.5613 3.2436 3.2436 3.3216 3.3216 3.6924 3.6924 3.7341 3.7341 3.8065 3.8065 8.3890 8.3890 10.6742 10.6742 10.9556 10.9556 11.0031 11.0031 k = 0.2292 0.2391 0.6926 ( 3088 PWs) bands (ev): -23.2407 -23.2407 -16.9732 -16.9732 -16.8147 -16.8147 -16.7937 -16.7937 -6.3153 -6.3153 -4.1342 -4.1342 -3.9334 -3.9334 -3.8455 -3.8455 -0.4075 -0.4075 0.1113 0.1113 0.1410 0.1410 0.2148 0.2148 0.3757 0.3757 2.2447 2.2447 2.3166 2.3166 2.5606 2.5606 3.2466 3.2466 3.3215 3.3215 3.6975 3.6975 3.7309 3.7309 3.8070 3.8070 8.3890 8.3890 10.6687 10.6687 10.9591 10.9591 10.9940 10.9940 k = 0.2396 0.2499 0.6926 ( 3084 PWs) bands (ev): -23.2407 -23.2407 -16.9732 -16.9732 -16.8144 -16.8144 -16.7941 -16.7941 -6.3150 -6.3150 -4.1346 -4.1346 -3.9145 -3.9145 -3.8651 -3.8651 -0.4053 -0.4053 0.1299 0.1299 0.1454 0.1454 0.1908 0.1908 0.3757 0.3757 2.2515 2.2515 2.3067 2.3067 2.5602 2.5602 3.2485 3.2485 3.3214 3.3214 3.7011 3.7011 3.7286 3.7286 3.8073 3.8073 8.3890 8.3890 10.6653 10.6653 10.9627 10.9627 10.9870 10.9870 k = 0.2500 0.2608 0.6926 ( 3084 PWs) bands (ev): -23.2407 -23.2407 -16.9732 -16.9732 -16.8143 -16.8143 -16.7942 -16.7942 -6.3148 -6.3148 -4.1348 -4.1348 -3.9029 -3.9029 -3.8769 -3.8769 -0.4045 -0.4045 0.1332 0.1332 0.1622 0.1622 0.1705 0.1705 0.3758 0.3758 2.2544 2.2544 2.3028 2.3028 2.5601 2.5601 3.2492 3.2492 3.3213 3.3213 3.7024 3.7024 3.7277 3.7277 3.8073 3.8073 8.3890 8.3890 10.6642 10.6642 10.9645 10.9645 10.9841 10.9841 Writing output data file AgClO4.save init_run : 2.58s CPU 12.86s WALL ( 1 calls) electrons : 690.47s CPU 697.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 690.45s CPU 697.06s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.04s WALL ( 1 calls) v_xc : 0.12s CPU 0.60s WALL ( 1 calls) newd : 0.22s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.21s WALL ( 347 calls) cegterg : 645.30s CPU 649.17s WALL ( 714 calls) Called by sum_band: Called by *egterg: h_psi : 278.24s CPU 285.50s WALL ( 13247 calls) s_psi : 25.28s CPU 26.01s WALL ( 13247 calls) g_psi : 0.64s CPU 0.66s WALL ( 12186 calls) cdiaghg : 252.68s CPU 250.17s WALL ( 12533 calls) cegterg:over : 57.08s CPU 53.06s WALL ( 12186 calls) cegterg:upda : 9.88s CPU 13.39s WALL ( 12186 calls) cegterg:last : 9.22s CPU 10.15s WALL ( 2509 calls) Called by h_psi: h_psi:vloc : 223.37s CPU 229.51s WALL ( 13247 calls) h_psi:vnl : 54.65s CPU 55.30s WALL ( 13247 calls) add_vuspsi : 15.61s CPU 20.14s WALL ( 13247 calls) General routines calbec : 39.00s CPU 35.05s WALL ( 13247 calls) fft : 0.12s CPU 0.92s WALL ( 19 calls) ffts : 0.08s CPU 0.09s WALL ( 4 calls) fftw : 211.98s CPU 215.13s WALL ( 1444784 calls) interpolate : 0.09s CPU 0.10s WALL ( 4 calls) davcio : 0.04s CPU 1.16s WALL ( 694 calls) Parallel routines fft_scatter : 132.90s CPU 136.78s WALL ( 1444807 calls) PWSCF : 12m21.28s CPU 13m44.62s WALL This run was terminated on: 8:40:50 8Jun2016 =------------------------------------------------------------------------------= JOB DONE. 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