Program PWSCF v.5.1.1 starts on 12Jun2016 at 16: 9:13 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: ./ZnGeAs2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 47 13 1951 1019 155 Max 74 48 14 1953 1037 158 Sum 3511 2285 643 93695 49369 7487 bravais-lattice index = 14 lattice parameter (alat) = 12.9767 a.u. unit-cell volume = 1209.5045 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.976664 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.659115 celldm(5)= -0.659115 celldm(6)= 0.318230 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.318230 0.948013 0.000000 ) a(3) = ( -0.659115 -0.474007 0.583853 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.335681 0.856379 ) b(2) = ( 0.000000 1.054837 0.856379 ) b(3) = ( 0.000000 0.000000 1.712759 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) As 5.00 74.92160 As( 1.00) Zn 12.00 65.40900 Zn( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.1591152 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4740067 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2919267 ) 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= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0214095), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0428190), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0642284), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0856379), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.1070474), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.1284569), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.1498664), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1712759), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1926853), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.2140948), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.2355043), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.2569138), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.2783233), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.2997328), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.3211422), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.3425517), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.3639612), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.3853707), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.4067802), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.4281897), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.4495991), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.4710086), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.4924181), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.5138276), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.5352371), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.5566465), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.5780560), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.5994655), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.6208750), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.6422845), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.6636940), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.6851034), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.7065129), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.7279224), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.7493319), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.7707414), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.7921509), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.8135603), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.8349698), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.8563793), wk = 0.0036364 k( 42) = ( 0.0000000 0.0000000 0.8563793), wk = 0.0036364 k( 43) = ( -0.0117542 0.0163445 0.8563793), wk = 0.0036364 k( 44) = ( -0.0235084 0.0326889 0.8563793), wk = 0.0036364 k( 45) = ( -0.0352626 0.0490334 0.8563793), wk = 0.0036364 k( 46) = ( -0.0470169 0.0653778 0.8563793), wk = 0.0036364 k( 47) = ( -0.0587711 0.0817223 0.8563793), wk = 0.0036364 k( 48) = ( -0.0705253 0.0980667 0.8563793), wk = 0.0036364 k( 49) = ( -0.0822795 0.1144112 0.8563793), wk = 0.0036364 k( 50) = ( -0.0940337 0.1307557 0.8563793), wk = 0.0036364 k( 51) = ( -0.1057880 0.1471001 0.8563793), wk = 0.0036364 k( 52) = ( -0.1175422 0.1634446 0.8563793), wk = 0.0036364 k( 53) = ( -0.1292964 0.1797890 0.8563793), wk = 0.0036364 k( 54) = ( -0.1292964 0.1797890 0.8563793), wk = 0.0036364 k( 55) = ( -0.1381227 0.1920621 0.8412620), wk = 0.0036364 k( 56) = ( -0.1469489 0.2043352 0.8261447), wk = 0.0036364 k( 57) = ( -0.1557752 0.2166083 0.8110275), wk = 0.0036364 k( 58) = ( -0.1646015 0.2288814 0.7959102), wk = 0.0036364 k( 59) = ( -0.1734278 0.2411545 0.7807929), wk = 0.0036364 k( 60) = ( -0.1822541 0.2534277 0.7656756), wk = 0.0036364 k( 61) = ( -0.1910803 0.2657007 0.7505583), wk = 0.0036364 k( 62) = ( -0.1999066 0.2779739 0.7354411), wk = 0.0036364 k( 63) = ( -0.2087329 0.2902470 0.7203238), wk = 0.0036364 k( 64) = ( -0.2175592 0.3025201 0.7052065), wk = 0.0036364 k( 65) = ( -0.2263854 0.3147932 0.6900892), wk = 0.0036364 k( 66) = ( -0.2352117 0.3270662 0.6749719), wk = 0.0036364 k( 67) = ( -0.2440380 0.3393394 0.6598547), wk = 0.0036364 k( 68) = ( -0.2528643 0.3516125 0.6447374), wk = 0.0036364 k( 69) = ( -0.2616905 0.3638856 0.6296201), wk = 0.0036364 k( 70) = ( -0.2705168 0.3761587 0.6145028), wk = 0.0036364 k( 71) = ( -0.2793431 0.3884318 0.5993855), wk = 0.0036364 k( 72) = ( -0.2881694 0.4007049 0.5842682), wk = 0.0036364 k( 73) = ( -0.2969956 0.4129780 0.5691510), wk = 0.0036364 k( 74) = ( -0.3058219 0.4252511 0.5540337), wk = 0.0036364 k( 75) = ( -0.3146482 0.4375242 0.5389164), wk = 0.0036364 k( 76) = ( -0.3146482 0.4375242 0.5389164), wk = 0.0036364 k( 77) = ( -0.3056582 0.4250235 0.5235188), wk = 0.0036364 k( 78) = ( -0.2966683 0.4125228 0.5081212), wk = 0.0036364 k( 79) = ( -0.2876784 0.4000221 0.4927236), wk = 0.0036364 k( 80) = ( -0.2786884 0.3875214 0.4773260), wk = 0.0036364 k( 81) = ( -0.2696984 0.3750207 0.4619283), wk = 0.0036364 k( 82) = ( -0.2607085 0.3625200 0.4465307), wk = 0.0036364 k( 83) = ( -0.2517185 0.3500193 0.4311331), wk = 0.0036364 k( 84) = ( -0.2427286 0.3375187 0.4157355), wk = 0.0036364 k( 85) = ( -0.2337387 0.3250180 0.4003379), wk = 0.0036364 k( 86) = ( -0.2247487 0.3125173 0.3849403), wk = 0.0036364 k( 87) = ( -0.2157588 0.3000166 0.3695427), wk = 0.0036364 k( 88) = ( -0.2067688 0.2875159 0.3541451), wk = 0.0036364 k( 89) = ( -0.1977789 0.2750152 0.3387474), wk = 0.0036364 k( 90) = ( -0.1887889 0.2625145 0.3233498), wk = 0.0036364 k( 91) = ( -0.1797990 0.2500138 0.3079522), wk = 0.0036364 k( 92) = ( -0.1708090 0.2375131 0.2925546), wk = 0.0036364 k( 93) = ( -0.1618191 0.2250124 0.2771570), wk = 0.0036364 k( 94) = ( -0.1528291 0.2125117 0.2617594), wk = 0.0036364 k( 95) = ( -0.1438392 0.2000110 0.2463618), wk = 0.0036364 k( 96) = ( -0.1348492 0.1875104 0.2309642), wk = 0.0036364 k( 97) = ( -0.1258593 0.1750097 0.2155666), wk = 0.0036364 k( 98) = ( -0.1168693 0.1625090 0.2001690), wk = 0.0036364 k( 99) = ( -0.1078794 0.1500083 0.1847713), wk = 0.0036364 k( 100) = ( -0.0988894 0.1375076 0.1693737), wk = 0.0036364 k( 101) = ( -0.0898995 0.1250069 0.1539761), wk = 0.0036364 k( 102) = ( -0.0809095 0.1125062 0.1385785), wk = 0.0036364 k( 103) = ( -0.0719196 0.1000055 0.1231809), wk = 0.0036364 k( 104) = ( -0.0629296 0.0875048 0.1077833), wk = 0.0036364 k( 105) = ( -0.0539397 0.0750041 0.0923857), wk = 0.0036364 k( 106) = ( -0.0449497 0.0625035 0.0769881), wk = 0.0036364 k( 107) = ( -0.0359598 0.0500028 0.0615904), wk = 0.0036364 k( 108) = ( -0.0269699 0.0375021 0.0461928), wk = 0.0036364 k( 109) = ( -0.0179799 0.0250014 0.0307952), wk = 0.0036364 k( 110) = ( -0.0089900 0.0125007 0.0153976), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0172414 0.0123992 0.0000000), wk = 0.0036364 k( 114) = ( 0.0344828 0.0247985 0.0000000), wk = 0.0036364 k( 115) = ( 0.0517241 0.0371977 0.0000000), wk = 0.0036364 k( 116) = ( 0.0689655 0.0495970 0.0000000), wk = 0.0036364 k( 117) = ( 0.0862069 0.0619962 0.0000000), wk = 0.0036364 k( 118) = ( 0.1034483 0.0743955 0.0000000), wk = 0.0036364 k( 119) = ( 0.1206897 0.0867947 0.0000000), wk = 0.0036364 k( 120) = ( 0.1379310 0.0991939 0.0000000), wk = 0.0036364 k( 121) = ( 0.1551724 0.1115932 0.0000000), wk = 0.0036364 k( 122) = ( 0.1724138 0.1239924 0.0000000), wk = 0.0036364 k( 123) = ( 0.1896552 0.1363917 0.0000000), wk = 0.0036364 k( 124) = ( 0.2068966 0.1487909 0.0000000), wk = 0.0036364 k( 125) = ( 0.2241379 0.1611902 0.0000000), wk = 0.0036364 k( 126) = ( 0.2413793 0.1735894 0.0000000), wk = 0.0036364 k( 127) = ( 0.2586207 0.1859887 0.0000000), wk = 0.0036364 k( 128) = ( 0.2758621 0.1983879 0.0000000), wk = 0.0036364 k( 129) = ( 0.2931034 0.2107871 0.0000000), wk = 0.0036364 k( 130) = ( 0.3103448 0.2231864 0.0000000), wk = 0.0036364 k( 131) = ( 0.3275862 0.2355856 0.0000000), wk = 0.0036364 k( 132) = ( 0.3448276 0.2479849 0.0000000), wk = 0.0036364 k( 133) = ( 0.3620690 0.2603841 0.0000000), wk = 0.0036364 k( 134) = ( 0.3793103 0.2727834 0.0000000), wk = 0.0036364 k( 135) = ( 0.3965517 0.2851826 0.0000000), wk = 0.0036364 k( 136) = ( 0.4137931 0.2975818 0.0000000), wk = 0.0036364 k( 137) = ( 0.4310345 0.3099811 0.0000000), wk = 0.0036364 k( 138) = ( 0.4482759 0.3223803 0.0000000), wk = 0.0036364 k( 139) = ( 0.4655172 0.3347796 0.0000000), wk = 0.0036364 k( 140) = ( 0.4827586 0.3471788 0.0000000), wk = 0.0036364 k( 141) = ( 0.5000000 0.3595781 0.0000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.3595781 0.0000000), wk = 0.0036364 k( 143) = ( 0.4911737 0.3718512 0.0151173), wk = 0.0036364 k( 144) = ( 0.4823475 0.3841243 0.0302346), wk = 0.0036364 k( 145) = ( 0.4735212 0.3963974 0.0453518), wk = 0.0036364 k( 146) = ( 0.4646949 0.4086705 0.0604691), wk = 0.0036364 k( 147) = ( 0.4558686 0.4209436 0.0755864), wk = 0.0036364 k( 148) = ( 0.4470423 0.4332167 0.0907037), wk = 0.0036364 k( 149) = ( 0.4382161 0.4454898 0.1058210), wk = 0.0036364 k( 150) = ( 0.4293898 0.4577629 0.1209382), wk = 0.0036364 k( 151) = ( 0.4205635 0.4700360 0.1360555), wk = 0.0036364 k( 152) = ( 0.4117372 0.4823091 0.1511728), wk = 0.0036364 k( 153) = ( 0.4029110 0.4945822 0.1662901), wk = 0.0036364 k( 154) = ( 0.3940847 0.5068553 0.1814074), wk = 0.0036364 k( 155) = ( 0.3852584 0.5191284 0.1965246), wk = 0.0036364 k( 156) = ( 0.3764321 0.5314015 0.2116419), wk = 0.0036364 k( 157) = ( 0.3676059 0.5436746 0.2267592), wk = 0.0036364 k( 158) = ( 0.3587796 0.5559477 0.2418765), wk = 0.0036364 k( 159) = ( 0.3499533 0.5682208 0.2569938), wk = 0.0036364 k( 160) = ( 0.3411270 0.5804939 0.2721111), wk = 0.0036364 k( 161) = ( 0.3323007 0.5927670 0.2872283), wk = 0.0036364 k( 162) = ( 0.3234745 0.6050401 0.3023456), wk = 0.0036364 k( 163) = ( 0.3146482 0.6173132 0.3174629), wk = 0.0036364 k( 164) = ( 0.3146482 0.6173132 0.3174629), wk = 0.0036364 k( 165) = ( 0.2949827 0.6116948 0.3243833), wk = 0.0036364 k( 166) = ( 0.2753172 0.6060764 0.3313037), wk = 0.0036364 k( 167) = ( 0.2556517 0.6004580 0.3382242), wk = 0.0036364 k( 168) = ( 0.2359861 0.5948396 0.3451446), wk = 0.0036364 k( 169) = ( 0.2163206 0.5892212 0.3520650), wk = 0.0036364 k( 170) = ( 0.1966551 0.5836028 0.3589854), wk = 0.0036364 k( 171) = ( 0.1769896 0.5779844 0.3659059), wk = 0.0036364 k( 172) = ( 0.1573241 0.5723659 0.3728263), wk = 0.0036364 k( 173) = ( 0.1376586 0.5667475 0.3797467), wk = 0.0036364 k( 174) = ( 0.1179931 0.5611291 0.3866671), wk = 0.0036364 k( 175) = ( 0.0983276 0.5555107 0.3935875), wk = 0.0036364 k( 176) = ( 0.0786620 0.5498923 0.4005080), wk = 0.0036364 k( 177) = ( 0.0589965 0.5442739 0.4074284), wk = 0.0036364 k( 178) = ( 0.0393310 0.5386555 0.4143488), wk = 0.0036364 k( 179) = ( 0.0196655 0.5330371 0.4212692), wk = 0.0036364 k( 180) = ( 0.0000000 0.5274187 0.4281897), wk = 0.0036364 k( 181) = ( 0.0000000 0.5274187 0.4281897), wk = 0.0036364 k( 182) = ( 0.0089286 0.5150033 0.4434821), wk = 0.0036364 k( 183) = ( 0.0178571 0.5025880 0.4587746), wk = 0.0036364 k( 184) = ( 0.0267857 0.4901727 0.4740671), wk = 0.0036364 k( 185) = ( 0.0357143 0.4777573 0.4893596), wk = 0.0036364 k( 186) = ( 0.0446429 0.4653420 0.5046521), wk = 0.0036364 k( 187) = ( 0.0535714 0.4529266 0.5199446), wk = 0.0036364 k( 188) = ( 0.0625000 0.4405113 0.5352371), wk = 0.0036364 k( 189) = ( 0.0714286 0.4280959 0.5505296), wk = 0.0036364 k( 190) = ( 0.0803571 0.4156806 0.5658220), wk = 0.0036364 k( 191) = ( 0.0892857 0.4032652 0.5811145), wk = 0.0036364 k( 192) = ( 0.0982143 0.3908499 0.5964070), wk = 0.0036364 k( 193) = ( 0.1071429 0.3784345 0.6116995), wk = 0.0036364 k( 194) = ( 0.1160714 0.3660192 0.6269920), wk = 0.0036364 k( 195) = ( 0.1250000 0.3536039 0.6422845), wk = 0.0036364 k( 196) = ( 0.1339286 0.3411885 0.6575770), wk = 0.0036364 k( 197) = ( 0.1428571 0.3287732 0.6728694), wk = 0.0036364 k( 198) = ( 0.1517857 0.3163578 0.6881619), wk = 0.0036364 k( 199) = ( 0.1607143 0.3039425 0.7034544), wk = 0.0036364 k( 200) = ( 0.1696429 0.2915271 0.7187469), wk = 0.0036364 k( 201) = ( 0.1785714 0.2791118 0.7340394), wk = 0.0036364 k( 202) = ( 0.1875000 0.2666964 0.7493319), wk = 0.0036364 k( 203) = ( 0.1964286 0.2542811 0.7646244), wk = 0.0036364 k( 204) = ( 0.2053571 0.2418658 0.7799169), wk = 0.0036364 k( 205) = ( 0.2142857 0.2294504 0.7952093), wk = 0.0036364 k( 206) = ( 0.2232143 0.2170351 0.8105018), wk = 0.0036364 k( 207) = ( 0.2321429 0.2046197 0.8257943), wk = 0.0036364 k( 208) = ( 0.2410714 0.1922044 0.8410868), wk = 0.0036364 k( 209) = ( 0.2500000 0.1797890 0.8563793), wk = 0.0036364 k( 210) = ( 0.2500000 0.1797890 0.8563793), wk = 0.0036364 k( 211) = ( 0.2638889 0.1897773 0.8440763), wk = 0.0036364 k( 212) = ( 0.2777778 0.1997656 0.8317734), wk = 0.0036364 k( 213) = ( 0.2916667 0.2097539 0.8194704), wk = 0.0036364 k( 214) = ( 0.3055556 0.2197422 0.8071674), wk = 0.0036364 k( 215) = ( 0.3194444 0.2297304 0.7948644), wk = 0.0036364 k( 216) = ( 0.3333333 0.2397187 0.7825615), wk = 0.0036364 k( 217) = ( 0.3472222 0.2497070 0.7702585), wk = 0.0036364 k( 218) = ( 0.3611111 0.2596953 0.7579555), wk = 0.0036364 k( 219) = ( 0.3750000 0.2696836 0.7456526), wk = 0.0036364 k( 220) = ( 0.3888889 0.2796718 0.7333496), wk = 0.0036364 k( 221) = ( 0.4027778 0.2896601 0.7210466), wk = 0.0036364 k( 222) = ( 0.4166667 0.2996484 0.7087436), wk = 0.0036364 k( 223) = ( 0.4305556 0.3096367 0.6964407), wk = 0.0036364 k( 224) = ( 0.4444444 0.3196249 0.6841377), wk = 0.0036364 k( 225) = ( 0.4583333 0.3296132 0.6718347), wk = 0.0036364 k( 226) = ( 0.4722222 0.3396015 0.6595318), wk = 0.0036364 k( 227) = ( 0.4861111 0.3495898 0.6472288), wk = 0.0036364 k( 228) = ( 0.5000000 0.3595781 0.6349258), wk = 0.0036364 k( 229) = ( 0.5000000 0.3595781 0.6349258), wk = 0.0036364 k( 230) = ( 0.5000000 0.3595781 0.6137616), wk = 0.0036364 k( 231) = ( 0.5000000 0.3595781 0.5925974), wk = 0.0036364 k( 232) = ( 0.5000000 0.3595781 0.5714332), wk = 0.0036364 k( 233) = ( 0.5000000 0.3595781 0.5502690), wk = 0.0036364 k( 234) = ( 0.5000000 0.3595781 0.5291048), wk = 0.0036364 k( 235) = ( 0.5000000 0.3595781 0.5079406), wk = 0.0036364 k( 236) = ( 0.5000000 0.3595781 0.4867764), wk = 0.0036364 k( 237) = ( 0.5000000 0.3595781 0.4656123), wk = 0.0036364 k( 238) = ( 0.5000000 0.3595781 0.4444481), wk = 0.0036364 k( 239) = ( 0.5000000 0.3595781 0.4232839), wk = 0.0036364 k( 240) = ( 0.5000000 0.3595781 0.4021197), wk = 0.0036364 k( 241) = ( 0.5000000 0.3595781 0.3809555), wk = 0.0036364 k( 242) = ( 0.5000000 0.3595781 0.3597913), wk = 0.0036364 k( 243) = ( 0.5000000 0.3595781 0.3386271), wk = 0.0036364 k( 244) = ( 0.5000000 0.3595781 0.3174629), wk = 0.0036364 k( 245) = ( 0.5000000 0.3595781 0.2962987), wk = 0.0036364 k( 246) = ( 0.5000000 0.3595781 0.2751345), wk = 0.0036364 k( 247) = ( 0.5000000 0.3595781 0.2539703), wk = 0.0036364 k( 248) = ( 0.5000000 0.3595781 0.2328061), wk = 0.0036364 k( 249) = ( 0.5000000 0.3595781 0.2116419), wk = 0.0036364 k( 250) = ( 0.5000000 0.3595781 0.1904777), wk = 0.0036364 k( 251) = ( 0.5000000 0.3595781 0.1693136), wk = 0.0036364 k( 252) = ( 0.5000000 0.3595781 0.1481494), wk = 0.0036364 k( 253) = ( 0.5000000 0.3595781 0.1269852), wk = 0.0036364 k( 254) = ( 0.5000000 0.3595781 0.1058210), wk = 0.0036364 k( 255) = ( 0.5000000 0.3595781 0.0846568), wk = 0.0036364 k( 256) = ( 0.5000000 0.3595781 0.0634926), wk = 0.0036364 k( 257) = ( 0.5000000 0.3595781 0.0423284), wk = 0.0036364 k( 258) = ( 0.5000000 0.3595781 0.0211642), wk = 0.0036364 k( 259) = ( 0.5000000 0.3595781 0.0000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.8563793), wk = 0.0036364 k( 261) = ( 0.0166667 0.0119859 0.8563793), wk = 0.0036364 k( 262) = ( 0.0333333 0.0239719 0.8563793), wk = 0.0036364 k( 263) = ( 0.0500000 0.0359578 0.8563793), wk = 0.0036364 k( 264) = ( 0.0666667 0.0479437 0.8563793), wk = 0.0036364 k( 265) = ( 0.0833333 0.0599297 0.8563793), wk = 0.0036364 k( 266) = ( 0.1000000 0.0719156 0.8563793), wk = 0.0036364 k( 267) = ( 0.1166667 0.0839016 0.8563793), wk = 0.0036364 k( 268) = ( 0.1333333 0.0958875 0.8563793), wk = 0.0036364 k( 269) = ( 0.1500000 0.1078734 0.8563793), wk = 0.0036364 k( 270) = ( 0.1666667 0.1198594 0.8563793), wk = 0.0036364 k( 271) = ( 0.1833333 0.1318453 0.8563793), wk = 0.0036364 k( 272) = ( 0.2000000 0.1438312 0.8563793), wk = 0.0036364 k( 273) = ( 0.2166667 0.1558172 0.8563793), wk = 0.0036364 k( 274) = ( 0.2333333 0.1678031 0.8563793), wk = 0.0036364 k( 275) = ( 0.2500000 0.1797890 0.8563793), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 43) = ( -0.0117542 0.0117542 0.5000000), wk = 0.0036364 k( 44) = ( -0.0235084 0.0235084 0.5000000), wk = 0.0036364 k( 45) = ( -0.0352626 0.0352626 0.5000000), wk = 0.0036364 k( 46) = ( -0.0470169 0.0470169 0.5000000), wk = 0.0036364 k( 47) = ( -0.0587711 0.0587711 0.5000000), wk = 0.0036364 k( 48) = ( -0.0705253 0.0705253 0.5000000), wk = 0.0036364 k( 49) = ( -0.0822795 0.0822795 0.5000000), wk = 0.0036364 k( 50) = ( -0.0940337 0.0940337 0.5000000), wk = 0.0036364 k( 51) = ( -0.1057880 0.1057880 0.5000000), wk = 0.0036364 k( 52) = ( -0.1175422 0.1175422 0.5000000), wk = 0.0036364 k( 53) = ( -0.1292964 0.1292964 0.5000000), wk = 0.0036364 k( 54) = ( -0.1292964 0.1292964 0.5000000), wk = 0.0036364 k( 55) = ( -0.1381227 0.1381227 0.4911737), wk = 0.0036364 k( 56) = ( -0.1469489 0.1469489 0.4823475), wk = 0.0036364 k( 57) = ( -0.1557752 0.1557752 0.4735212), wk = 0.0036364 k( 58) = ( -0.1646015 0.1646015 0.4646949), wk = 0.0036364 k( 59) = ( -0.1734278 0.1734278 0.4558686), wk = 0.0036364 k( 60) = ( -0.1822541 0.1822541 0.4470423), wk = 0.0036364 k( 61) = ( -0.1910803 0.1910803 0.4382161), wk = 0.0036364 k( 62) = ( -0.1999066 0.1999066 0.4293898), wk = 0.0036364 k( 63) = ( -0.2087329 0.2087329 0.4205635), wk = 0.0036364 k( 64) = ( -0.2175592 0.2175592 0.4117372), wk = 0.0036364 k( 65) = ( -0.2263854 0.2263854 0.4029110), wk = 0.0036364 k( 66) = ( -0.2352117 0.2352117 0.3940847), wk = 0.0036364 k( 67) = ( -0.2440380 0.2440380 0.3852584), wk = 0.0036364 k( 68) = ( -0.2528643 0.2528643 0.3764321), wk = 0.0036364 k( 69) = ( -0.2616905 0.2616905 0.3676059), wk = 0.0036364 k( 70) = ( -0.2705168 0.2705168 0.3587796), wk = 0.0036364 k( 71) = ( -0.2793431 0.2793431 0.3499533), wk = 0.0036364 k( 72) = ( -0.2881694 0.2881694 0.3411270), wk = 0.0036364 k( 73) = ( -0.2969956 0.2969956 0.3323008), wk = 0.0036364 k( 74) = ( -0.3058219 0.3058219 0.3234745), wk = 0.0036364 k( 75) = ( -0.3146482 0.3146482 0.3146482), wk = 0.0036364 k( 76) = ( -0.3146482 0.3146482 0.3146482), wk = 0.0036364 k( 77) = ( -0.3056582 0.3056582 0.3056582), wk = 0.0036364 k( 78) = ( -0.2966683 0.2966683 0.2966683), wk = 0.0036364 k( 79) = ( -0.2876784 0.2876784 0.2876784), wk = 0.0036364 k( 80) = ( -0.2786884 0.2786884 0.2786884), wk = 0.0036364 k( 81) = ( -0.2696984 0.2696984 0.2696984), wk = 0.0036364 k( 82) = ( -0.2607085 0.2607085 0.2607085), wk = 0.0036364 k( 83) = ( -0.2517185 0.2517185 0.2517186), wk = 0.0036364 k( 84) = ( -0.2427286 0.2427286 0.2427286), wk = 0.0036364 k( 85) = ( -0.2337387 0.2337387 0.2337387), wk = 0.0036364 k( 86) = ( -0.2247487 0.2247487 0.2247487), wk = 0.0036364 k( 87) = ( -0.2157588 0.2157588 0.2157588), wk = 0.0036364 k( 88) = ( -0.2067688 0.2067688 0.2067688), wk = 0.0036364 k( 89) = ( -0.1977789 0.1977789 0.1977789), wk = 0.0036364 k( 90) = ( -0.1887889 0.1887889 0.1887889), wk = 0.0036364 k( 91) = ( -0.1797990 0.1797990 0.1797990), wk = 0.0036364 k( 92) = ( -0.1708090 0.1708090 0.1708090), wk = 0.0036364 k( 93) = ( -0.1618191 0.1618191 0.1618191), wk = 0.0036364 k( 94) = ( -0.1528291 0.1528291 0.1528291), wk = 0.0036364 k( 95) = ( -0.1438392 0.1438392 0.1438392), wk = 0.0036364 k( 96) = ( -0.1348492 0.1348492 0.1348492), wk = 0.0036364 k( 97) = ( -0.1258593 0.1258593 0.1258593), wk = 0.0036364 k( 98) = ( -0.1168693 0.1168693 0.1168693), wk = 0.0036364 k( 99) = ( -0.1078794 0.1078794 0.1078794), wk = 0.0036364 k( 100) = ( -0.0988894 0.0988894 0.0988894), wk = 0.0036364 k( 101) = ( -0.0898995 0.0898995 0.0898995), wk = 0.0036364 k( 102) = ( -0.0809095 0.0809095 0.0809095), wk = 0.0036364 k( 103) = ( -0.0719196 0.0719196 0.0719196), wk = 0.0036364 k( 104) = ( -0.0629296 0.0629296 0.0629296), wk = 0.0036364 k( 105) = ( -0.0539397 0.0539397 0.0539397), wk = 0.0036364 k( 106) = ( -0.0449497 0.0449497 0.0449497), wk = 0.0036364 k( 107) = ( -0.0359598 0.0359598 0.0359598), wk = 0.0036364 k( 108) = ( -0.0269699 0.0269698 0.0269699), wk = 0.0036364 k( 109) = ( -0.0179799 0.0179799 0.0179799), wk = 0.0036364 k( 110) = ( -0.0089900 0.0089899 0.0089900), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0036364 k( 114) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0036364 k( 115) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0036364 k( 116) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0036364 k( 117) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0036364 k( 118) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0036364 k( 119) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0036364 k( 120) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0036364 k( 121) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0036364 k( 122) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0036364 k( 123) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0036364 k( 124) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0036364 k( 125) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0036364 k( 126) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0036364 k( 127) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0036364 k( 128) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0036364 k( 129) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0036364 k( 130) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0036364 k( 131) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0036364 k( 132) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0036364 k( 133) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0036364 k( 134) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0036364 k( 135) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0036364 k( 136) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0036364 k( 137) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0036364 k( 138) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0036364 k( 139) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0036364 k( 140) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0036364 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 143) = ( 0.4911737 0.5088263 -0.4911737), wk = 0.0036364 k( 144) = ( 0.4823475 0.5176525 -0.4823475), wk = 0.0036364 k( 145) = ( 0.4735212 0.5264788 -0.4735212), wk = 0.0036364 k( 146) = ( 0.4646949 0.5353051 -0.4646949), wk = 0.0036364 k( 147) = ( 0.4558686 0.5441314 -0.4558686), wk = 0.0036364 k( 148) = ( 0.4470423 0.5529577 -0.4470423), wk = 0.0036364 k( 149) = ( 0.4382161 0.5617839 -0.4382161), wk = 0.0036364 k( 150) = ( 0.4293898 0.5706102 -0.4293898), wk = 0.0036364 k( 151) = ( 0.4205635 0.5794365 -0.4205635), wk = 0.0036364 k( 152) = ( 0.4117372 0.5882628 -0.4117372), wk = 0.0036364 k( 153) = ( 0.4029110 0.5970890 -0.4029110), wk = 0.0036364 k( 154) = ( 0.3940847 0.6059153 -0.3940847), wk = 0.0036364 k( 155) = ( 0.3852584 0.6147416 -0.3852584), wk = 0.0036364 k( 156) = ( 0.3764321 0.6235679 -0.3764321), wk = 0.0036364 k( 157) = ( 0.3676059 0.6323941 -0.3676059), wk = 0.0036364 k( 158) = ( 0.3587796 0.6412204 -0.3587796), wk = 0.0036364 k( 159) = ( 0.3499533 0.6500467 -0.3499533), wk = 0.0036364 k( 160) = ( 0.3411270 0.6588730 -0.3411270), wk = 0.0036364 k( 161) = ( 0.3323007 0.6676992 -0.3323008), wk = 0.0036364 k( 162) = ( 0.3234745 0.6765255 -0.3234745), wk = 0.0036364 k( 163) = ( 0.3146482 0.6853518 -0.3146482), wk = 0.0036364 k( 164) = ( 0.3146482 0.6853518 -0.3146482), wk = 0.0036364 k( 165) = ( 0.2949827 0.6737673 -0.2949827), wk = 0.0036364 k( 166) = ( 0.2753172 0.6621828 -0.2753172), wk = 0.0036364 k( 167) = ( 0.2556517 0.6505983 -0.2556517), wk = 0.0036364 k( 168) = ( 0.2359861 0.6390139 -0.2359861), wk = 0.0036364 k( 169) = ( 0.2163206 0.6274294 -0.2163206), wk = 0.0036364 k( 170) = ( 0.1966551 0.6158449 -0.1966551), wk = 0.0036364 k( 171) = ( 0.1769896 0.6042604 -0.1769896), wk = 0.0036364 k( 172) = ( 0.1573241 0.5926759 -0.1573241), wk = 0.0036364 k( 173) = ( 0.1376586 0.5810914 -0.1376586), wk = 0.0036364 k( 174) = ( 0.1179931 0.5695069 -0.1179931), wk = 0.0036364 k( 175) = ( 0.0983276 0.5579224 -0.0983276), wk = 0.0036364 k( 176) = ( 0.0786620 0.5463379 -0.0786620), wk = 0.0036364 k( 177) = ( 0.0589965 0.5347535 -0.0589965), wk = 0.0036364 k( 178) = ( 0.0393310 0.5231690 -0.0393310), wk = 0.0036364 k( 179) = ( 0.0196655 0.5115845 -0.0196655), wk = 0.0036364 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 182) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036364 k( 183) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036364 k( 184) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036364 k( 185) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036364 k( 186) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036364 k( 187) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036364 k( 188) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036364 k( 189) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036364 k( 190) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036364 k( 191) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036364 k( 192) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036364 k( 193) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036364 k( 194) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036364 k( 195) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036364 k( 196) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036364 k( 197) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036364 k( 198) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036364 k( 199) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036364 k( 200) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036364 k( 201) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036364 k( 202) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036364 k( 203) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036364 k( 204) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036364 k( 205) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036364 k( 206) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036364 k( 207) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036364 k( 208) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036364 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 211) = ( 0.2638889 0.2638889 0.2289280), wk = 0.0036364 k( 212) = ( 0.2777778 0.2777778 0.2078560), wk = 0.0036364 k( 213) = ( 0.2916667 0.2916667 0.1867839), wk = 0.0036364 k( 214) = ( 0.3055556 0.3055556 0.1657119), wk = 0.0036364 k( 215) = ( 0.3194444 0.3194444 0.1446399), wk = 0.0036364 k( 216) = ( 0.3333333 0.3333333 0.1235679), wk = 0.0036364 k( 217) = ( 0.3472222 0.3472222 0.1024958), wk = 0.0036364 k( 218) = ( 0.3611111 0.3611111 0.0814238), wk = 0.0036364 k( 219) = ( 0.3750000 0.3750000 0.0603518), wk = 0.0036364 k( 220) = ( 0.3888889 0.3888889 0.0392798), wk = 0.0036364 k( 221) = ( 0.4027778 0.4027778 0.0182078), wk = 0.0036364 k( 222) = ( 0.4166667 0.4166667 -0.0028643), wk = 0.0036364 k( 223) = ( 0.4305556 0.4305556 -0.0239363), wk = 0.0036364 k( 224) = ( 0.4444444 0.4444444 -0.0450083), wk = 0.0036364 k( 225) = ( 0.4583333 0.4583333 -0.0660803), wk = 0.0036364 k( 226) = ( 0.4722222 0.4722222 -0.0871523), wk = 0.0036364 k( 227) = ( 0.4861111 0.4861111 -0.1082244), wk = 0.0036364 k( 228) = ( 0.5000000 0.5000000 -0.1292964), wk = 0.0036364 k( 229) = ( 0.5000000 0.5000000 -0.1292964), wk = 0.0036364 k( 230) = ( 0.5000000 0.5000000 -0.1416532), wk = 0.0036364 k( 231) = ( 0.5000000 0.5000000 -0.1540100), wk = 0.0036364 k( 232) = ( 0.5000000 0.5000000 -0.1663668), wk = 0.0036364 k( 233) = ( 0.5000000 0.5000000 -0.1787235), wk = 0.0036364 k( 234) = ( 0.5000000 0.5000000 -0.1910803), wk = 0.0036364 k( 235) = ( 0.5000000 0.5000000 -0.2034371), wk = 0.0036364 k( 236) = ( 0.5000000 0.5000000 -0.2157939), wk = 0.0036364 k( 237) = ( 0.5000000 0.5000000 -0.2281507), wk = 0.0036364 k( 238) = ( 0.5000000 0.5000000 -0.2405075), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.2528643), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 -0.2652210), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 -0.2775778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 -0.2899346), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 -0.3022914), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 -0.3146482), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 -0.3270050), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 -0.3393618), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 -0.3517186), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 -0.3640753), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 -0.3764321), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 -0.3887889), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 -0.4011457), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 -0.4135025), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 -0.4258593), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 -0.4382161), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 -0.4505729), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 -0.4629296), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 -0.4752864), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 -0.4876432), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 261) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036364 k( 262) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036364 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036364 k( 264) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036364 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036364 k( 267) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036364 k( 268) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036364 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036364 k( 270) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036364 k( 271) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036364 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036364 k( 273) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036364 k( 274) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036364 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 Dense grid: 93695 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 49369 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 262, 62) NL pseudopotentials 0.30 Mb ( 131, 152) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1953) G-vector shells 0.01 Mb ( 913) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 262, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.29 Mb ( 152, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZnGeAs2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 47.4 secs Computing kpt #: 3 total cpu time spent up to now is 50.2 secs Computing kpt #: 4 total cpu time spent up to now is 53.1 secs Computing kpt #: 5 total cpu time spent up to now is 56.1 secs Computing kpt #: 6 total cpu time spent up to now is 59.1 secs Computing kpt #: 7 total cpu time spent up to now is 62.1 secs Computing kpt #: 8 total cpu time spent up to now is 65.1 secs Computing kpt #: 9 total cpu time spent up to now is 68.0 secs Computing kpt #: 10 total cpu time spent up to now is 71.0 secs Computing kpt #: 11 total cpu time spent up to now is 74.2 secs Computing kpt #: 12 total cpu time spent up to now is 77.5 secs Computing kpt #: 13 total cpu time spent up to now is 80.8 secs Computing kpt #: 14 total cpu time spent up to now is 84.1 secs Computing kpt #: 15 total cpu time spent up to now is 87.5 secs Computing kpt #: 16 total cpu time spent up to now is 91.0 secs Computing kpt #: 17 total cpu time spent up to now is 94.4 secs Computing kpt #: 18 total cpu time spent up to now is 97.8 secs Computing kpt #: 19 total cpu time spent up to now is 101.3 secs Computing kpt #: 20 total cpu time spent up to now is 104.8 secs Computing kpt #: 21 total cpu time spent up to now is 108.6 secs Computing kpt #: 22 total cpu time spent up to now is 112.1 secs Computing kpt #: 23 total cpu time spent up to now is 115.7 secs Computing kpt #: 24 total cpu time spent up to now is 119.4 secs Computing kpt #: 25 total cpu time spent up to now is 123.0 secs Computing kpt #: 26 total cpu time spent up to now is 126.7 secs Computing kpt #: 27 total cpu time spent up to now is 130.4 secs Computing kpt #: 28 total cpu time spent up to now is 134.0 secs Computing kpt #: 29 total cpu time spent up to now is 137.8 secs Computing kpt #: 30 total cpu time spent up to now is 141.5 secs Computing kpt #: 31 total cpu time spent up to now is 145.2 secs Computing kpt #: 32 total cpu time spent up to now is 149.1 secs Computing kpt #: 33 total cpu time spent up to now is 154.4 secs Computing kpt #: 34 total cpu time spent up to now is 158.7 secs Computing kpt #: 35 total cpu time spent up to now is 162.8 secs Computing kpt #: 36 total cpu time spent up to now is 166.4 secs Computing kpt #: 37 total cpu time spent up to now is 170.0 secs Computing kpt #: 38 total cpu time spent up to now is 174.1 secs Computing kpt #: 39 total cpu time spent up to now is 177.6 secs Computing kpt #: 40 total cpu time spent up to now is 181.2 secs Computing kpt #: 41 total cpu time spent up to now is 184.5 secs Computing kpt #: 42 total cpu time spent up to now is 187.7 secs Computing kpt #: 43 total cpu time spent up to now is 191.1 secs Computing kpt #: 44 total cpu time spent up to now is 194.5 secs Computing kpt #: 45 total cpu time spent up to now is 197.9 secs Computing kpt #: 46 total cpu time spent up to now is 201.5 secs Computing kpt #: 47 total cpu time spent up to now is 205.0 secs Computing kpt #: 48 total cpu time spent up to now is 208.4 secs Computing kpt #: 49 total cpu time spent up to now is 212.1 secs Computing kpt #: 50 total cpu time spent up to now is 215.4 secs Computing kpt #: 51 total cpu time spent up to now is 219.1 secs Computing kpt #: 52 total cpu time spent up to now is 222.4 secs Computing kpt #: 53 total cpu time spent up to now is 225.7 secs Computing kpt #: 54 total cpu time spent up to now is 229.1 secs Computing kpt #: 55 total cpu time spent up to now is 232.4 secs Computing kpt #: 56 total cpu time spent up to now is 235.8 secs Computing kpt #: 57 total cpu time spent up to now is 239.1 secs Computing kpt #: 58 total cpu time spent up to now is 242.5 secs Computing kpt #: 59 total cpu time spent up to now is 245.8 secs Computing kpt #: 60 total cpu time spent up to now is 249.3 secs Computing kpt #: 61 total cpu time spent up to now is 252.6 secs Computing kpt #: 62 total cpu time spent up to now is 256.0 secs Computing kpt #: 63 total cpu time spent up to now is 259.7 secs Computing kpt #: 64 total cpu time spent up to now is 263.0 secs Computing kpt #: 65 total cpu time spent up to now is 266.4 secs Computing kpt #: 66 total cpu time spent up to now is 269.8 secs Computing kpt #: 67 total cpu time spent up to now is 273.1 secs Computing kpt #: 68 total cpu time spent up to now is 276.4 secs Computing kpt #: 69 total cpu time spent up to now is 279.7 secs Computing kpt #: 70 total cpu time spent up to now is 283.1 secs Computing kpt #: 71 total cpu time spent up to now is 286.5 secs Computing kpt #: 72 total cpu time spent up to now is 289.8 secs Computing kpt #: 73 total cpu time spent up to now is 294.2 secs Computing kpt #: 74 total cpu time spent up to now is 299.2 secs Computing kpt #: 75 total cpu time spent up to now is 302.6 secs Computing kpt #: 76 total cpu time spent up to now is 305.9 secs Computing kpt #: 77 total cpu time spent up to now is 309.3 secs Computing kpt #: 78 total cpu time spent up to now is 312.9 secs Computing kpt #: 79 total cpu time spent up to now is 316.9 secs Computing kpt #: 80 total cpu time spent up to now is 320.5 secs Computing kpt #: 81 total cpu time spent up to now is 324.1 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 331.3 secs Computing kpt #: 83 total cpu time spent up to now is 335.4 secs Computing kpt #: 84 total cpu time spent up to now is 339.2 secs Computing kpt #: 85 total cpu time spent up to now is 342.9 secs Computing kpt #: 86 total cpu time spent up to now is 346.6 secs Computing kpt #: 87 total cpu time spent up to now is 350.2 secs Computing kpt #: 88 total cpu time spent up to now is 353.7 secs Computing kpt #: 89 total cpu time spent up to now is 357.9 secs Computing kpt #: 90 total cpu time spent up to now is 361.5 secs Computing kpt #: 91 total cpu time spent up to now is 364.9 secs Computing kpt #: 92 total cpu time spent up to now is 368.4 secs Computing kpt #: 93 total cpu time spent up to now is 371.9 secs Computing kpt #: 94 total cpu time spent up to now is 375.3 secs Computing kpt #: 95 total cpu time spent up to now is 378.7 secs Computing kpt #: 96 total cpu time spent up to now is 382.1 secs Computing kpt #: 97 total cpu time spent up to now is 385.3 secs Computing kpt #: 98 total cpu time spent up to now is 388.5 secs Computing kpt #: 99 total cpu time spent up to now is 393.2 secs Computing kpt #: 100 total cpu time spent up to now is 396.8 secs Computing kpt #: 101 total cpu time spent up to now is 400.0 secs Computing kpt #: 102 total cpu time spent up to now is 403.3 secs Computing kpt #: 103 total cpu time spent up to now is 406.5 secs Computing kpt #: 104 total cpu time spent up to now is 409.8 secs Computing kpt #: 105 total cpu time spent up to now is 412.7 secs Computing kpt #: 106 total cpu time spent up to now is 415.6 secs Computing kpt #: 107 total cpu time spent up to now is 418.5 secs Computing kpt #: 108 total cpu time spent up to now is 421.4 secs Computing kpt #: 109 total cpu time spent up to now is 424.2 secs Computing kpt #: 110 total cpu time spent up to now is 427.1 secs Computing kpt #: 111 total cpu time spent up to now is 429.9 secs Computing kpt #: 112 total cpu time spent up to now is 432.7 secs Computing kpt #: 113 total cpu time spent up to now is 435.5 secs Computing kpt #: 114 total cpu time spent up to now is 438.6 secs Computing kpt #: 115 total cpu time spent up to now is 441.9 secs Computing kpt #: 116 total cpu time spent up to now is 445.1 secs Computing kpt #: 117 total cpu time spent up to now is 448.3 secs Computing kpt #: 118 total cpu time spent up to now is 451.7 secs Computing kpt #: 119 total cpu time spent up to now is 455.1 secs Computing kpt #: 120 total cpu time spent up to now is 458.7 secs Computing kpt #: 121 total cpu time spent up to now is 461.9 secs Computing kpt #: 122 total cpu time spent up to now is 465.2 secs Computing kpt #: 123 total cpu time spent up to now is 468.5 secs Computing kpt #: 124 total cpu time spent up to now is 471.9 secs Computing kpt #: 125 total cpu time spent up to now is 475.4 secs Computing kpt #: 126 total cpu time spent up to now is 478.8 secs Computing kpt #: 127 total cpu time spent up to now is 482.1 secs Computing kpt #: 128 total cpu time spent up to now is 485.4 secs Computing kpt #: 129 total cpu time spent up to now is 489.1 secs Computing kpt #: 130 total cpu time spent up to now is 492.4 secs Computing kpt #: 131 total cpu time spent up to now is 495.9 secs Computing kpt #: 132 total cpu time spent up to now is 498.9 secs Computing kpt #: 133 total cpu time spent up to now is 501.8 secs Computing kpt #: 134 total cpu time spent up to now is 505.0 secs Computing kpt #: 135 total cpu time spent up to now is 508.2 secs Computing kpt #: 136 total cpu time spent up to now is 511.5 secs Computing kpt #: 137 total cpu time spent up to now is 514.6 secs Computing kpt #: 138 total cpu time spent up to now is 518.0 secs Computing kpt #: 139 total cpu time spent up to now is 521.2 secs Computing kpt #: 140 total cpu time spent up to now is 524.5 secs Computing kpt #: 141 total cpu time spent up to now is 527.8 secs Computing kpt #: 142 total cpu time spent up to now is 531.0 secs Computing kpt #: 143 total cpu time spent up to now is 534.5 secs Computing kpt #: 144 total cpu time spent up to now is 538.0 secs Computing kpt #: 145 total cpu time spent up to now is 541.4 secs Computing kpt #: 146 total cpu time spent up to now is 544.9 secs Computing kpt #: 147 total cpu time spent up to now is 548.6 secs Computing kpt #: 148 total cpu time spent up to now is 552.1 secs Computing kpt #: 149 total cpu time spent up to now is 555.6 secs Computing kpt #: 150 total cpu time spent up to now is 559.1 secs Computing kpt #: 151 total cpu time spent up to now is 562.6 secs Computing kpt #: 152 total cpu time spent up to now is 566.1 secs Computing kpt #: 153 total cpu time spent up to now is 569.6 secs Computing kpt #: 154 total cpu time spent up to now is 573.1 secs Computing kpt #: 155 total cpu time spent up to now is 576.6 secs Computing kpt #: 156 total cpu time spent up to now is 580.0 secs Computing kpt #: 157 total cpu time spent up to now is 583.6 secs Computing kpt #: 158 total cpu time spent up to now is 587.1 secs Computing kpt #: 159 total cpu time spent up to now is 590.5 secs Computing kpt #: 160 total cpu time spent up to now is 594.9 secs Computing kpt #: 161 total cpu time spent up to now is 598.6 secs Computing kpt #: 162 total cpu time spent up to now is 602.1 secs Computing kpt #: 163 total cpu time spent up to now is 605.5 secs Computing kpt #: 164 total cpu time spent up to now is 608.9 secs Computing kpt #: 165 total cpu time spent up to now is 612.3 secs Computing kpt #: 166 total cpu time spent up to now is 616.2 secs Computing kpt #: 167 total cpu time spent up to now is 619.7 secs Computing kpt #: 168 total cpu time spent up to now is 623.2 secs Computing kpt #: 169 total cpu time spent up to now is 626.7 secs Computing kpt #: 170 total cpu time spent up to now is 630.1 secs Computing kpt #: 171 total cpu time spent up to now is 633.6 secs Computing kpt #: 172 total cpu time spent up to now is 637.0 secs Computing kpt #: 173 total cpu time spent up to now is 640.5 secs Computing kpt #: 174 total cpu time spent up to now is 644.0 secs Computing kpt #: 175 total cpu time spent up to now is 647.8 secs Computing kpt #: 176 total cpu time spent up to now is 651.7 secs Computing kpt #: 177 total cpu time spent up to now is 655.8 secs Computing kpt #: 178 total cpu time spent up to now is 660.0 secs Computing kpt #: 179 total cpu time spent up to now is 664.1 secs Computing kpt #: 180 total cpu time spent up to now is 667.8 secs Computing kpt #: 181 total cpu time spent up to now is 671.4 secs Computing kpt #: 182 total cpu time spent up to now is 675.2 secs Computing kpt #: 183 total cpu time spent up to now is 678.9 secs Computing kpt #: 184 total cpu time spent up to now is 682.6 secs Computing kpt #: 185 total cpu time spent up to now is 686.2 secs Computing kpt #: 186 total cpu time spent up to now is 689.7 secs Computing kpt #: 187 total cpu time spent up to now is 693.1 secs Computing kpt #: 188 total cpu time spent up to now is 696.7 secs Computing kpt #: 189 total cpu time spent up to now is 700.3 secs Computing kpt #: 190 total cpu time spent up to now is 704.0 secs Computing kpt #: 191 total cpu time spent up to now is 707.4 secs Computing kpt #: 192 total cpu time spent up to now is 711.5 secs Computing kpt #: 193 total cpu time spent up to now is 714.8 secs Computing kpt #: 194 total cpu time spent up to now is 718.4 secs Computing kpt #: 195 total cpu time spent up to now is 721.8 secs Computing kpt #: 196 total cpu time spent up to now is 725.1 secs Computing kpt #: 197 total cpu time spent up to now is 728.5 secs Computing kpt #: 198 total cpu time spent up to now is 731.8 secs Computing kpt #: 199 total cpu time spent up to now is 735.6 secs Computing kpt #: 200 total cpu time spent up to now is 739.1 secs Computing kpt #: 201 total cpu time spent up to now is 742.5 secs Computing kpt #: 202 total cpu time spent up to now is 745.9 secs Computing kpt #: 203 total cpu time spent up to now is 749.4 secs Computing kpt #: 204 total cpu time spent up to now is 752.6 secs Computing kpt #: 205 total cpu time spent up to now is 755.9 secs Computing kpt #: 206 total cpu time spent up to now is 759.5 secs Computing kpt #: 207 total cpu time spent up to now is 762.8 secs Computing kpt #: 208 total cpu time spent up to now is 766.2 secs Computing kpt #: 209 total cpu time spent up to now is 769.5 secs Computing kpt #: 210 total cpu time spent up to now is 772.8 secs Computing kpt #: 211 total cpu time spent up to now is 776.2 secs Computing kpt #: 212 total cpu time spent up to now is 779.8 secs Computing kpt #: 213 total cpu time spent up to now is 783.1 secs Computing kpt #: 214 total cpu time spent up to now is 786.5 secs Computing kpt #: 215 total cpu time spent up to now is 789.9 secs Computing kpt #: 216 total cpu time spent up to now is 793.3 secs Computing kpt #: 217 total cpu time spent up to now is 797.1 secs Computing kpt #: 218 total cpu time spent up to now is 800.3 secs Computing kpt #: 219 total cpu time spent up to now is 803.6 secs Computing kpt #: 220 total cpu time spent up to now is 806.8 secs Computing kpt #: 221 total cpu time spent up to now is 810.1 secs Computing kpt #: 222 total cpu time spent up to now is 813.4 secs Computing kpt #: 223 total cpu time spent up to now is 816.7 secs Computing kpt #: 224 total cpu time spent up to now is 820.0 secs Computing kpt #: 225 total cpu time spent up to now is 823.2 secs Computing kpt #: 226 total cpu time spent up to now is 826.5 secs Computing kpt #: 227 total cpu time spent up to now is 829.9 secs Computing kpt #: 228 total cpu time spent up to now is 833.3 secs Computing kpt #: 229 total cpu time spent up to now is 836.6 secs Computing kpt #: 230 total cpu time spent up to now is 839.9 secs Computing kpt #: 231 total cpu time spent up to now is 843.3 secs Computing kpt #: 232 total cpu time spent up to now is 846.7 secs Computing kpt #: 233 total cpu time spent up to now is 849.9 secs Computing kpt #: 234 total cpu time spent up to now is 853.4 secs Computing kpt #: 235 total cpu time spent up to now is 856.9 secs Computing kpt #: 236 total cpu time spent up to now is 860.3 secs Computing kpt #: 237 total cpu time spent up to now is 863.9 secs Computing kpt #: 238 total cpu time spent up to now is 867.4 secs Computing kpt #: 239 total cpu time spent up to now is 870.8 secs Computing kpt #: 240 total cpu time spent up to now is 874.2 secs Computing kpt #: 241 total cpu time spent up to now is 877.5 secs Computing kpt #: 242 total cpu time spent up to now is 880.8 secs Computing kpt #: 243 total cpu time spent up to now is 884.4 secs Computing kpt #: 244 total cpu time spent up to now is 887.8 secs Computing kpt #: 245 total cpu time spent up to now is 891.5 secs Computing kpt #: 246 total cpu time spent up to now is 897.0 secs Computing kpt #: 247 total cpu time spent up to now is 900.7 secs Computing kpt #: 248 total cpu time spent up to now is 904.1 secs Computing kpt #: 249 total cpu time spent up to now is 907.4 secs Computing kpt #: 250 total cpu time spent up to now is 910.8 secs Computing kpt #: 251 total cpu time spent up to now is 914.3 secs Computing kpt #: 252 total cpu time spent up to now is 917.7 secs Computing kpt #: 253 total cpu time spent up to now is 921.1 secs Computing kpt #: 254 total cpu time spent up to now is 924.8 secs Computing kpt #: 255 total cpu time spent up to now is 928.6 secs Computing kpt #: 256 total cpu time spent up to now is 932.0 secs Computing kpt #: 257 total cpu time spent up to now is 935.6 secs Computing kpt #: 258 total cpu time spent up to now is 939.0 secs Computing kpt #: 259 total cpu time spent up to now is 942.3 secs Computing kpt #: 260 total cpu time spent up to now is 945.6 secs Computing kpt #: 261 total cpu time spent up to now is 949.0 secs Computing kpt #: 262 total cpu time spent up to now is 952.4 secs Computing kpt #: 263 total cpu time spent up to now is 956.3 secs Computing kpt #: 264 total cpu time spent up to now is 959.9 secs Computing kpt #: 265 total cpu time spent up to now is 963.6 secs Computing kpt #: 266 total cpu time spent up to now is 967.5 secs Computing kpt #: 267 total cpu time spent up to now is 971.1 secs Computing kpt #: 268 total cpu time spent up to now is 975.1 secs Computing kpt #: 269 total cpu time spent up to now is 978.7 secs Computing kpt #: 270 total cpu time spent up to now is 982.2 secs Computing kpt #: 271 total cpu time spent up to now is 985.9 secs Computing kpt #: 272 total cpu time spent up to now is 989.4 secs Computing kpt #: 273 total cpu time spent up to now is 992.9 secs Computing kpt #: 274 total cpu time spent up to now is 996.3 secs Computing kpt #: 275 total cpu time spent up to now is 999.9 secs ethr = 1.92E-11, avg # of iterations = 26.9 total cpu time spent up to now is 1000.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6147 PWs) bands (ev): -7.2240 -7.2240 -4.6149 -4.6149 -4.5961 -4.5961 -4.5876 -4.5876 -3.2887 -3.2887 -0.8927 -0.8927 -0.8868 -0.8868 -0.8129 -0.8129 -0.7885 -0.7885 -0.7307 -0.7307 -0.5835 -0.5835 -0.5413 -0.5413 -0.4609 -0.4609 -0.4058 -0.4058 -0.4003 -0.4003 -0.3832 -0.3832 1.3234 1.3234 1.9250 1.9250 1.9708 1.9708 2.2169 2.2169 2.6106 2.6106 3.7308 3.7308 3.7842 3.7842 5.8733 5.8733 6.1688 6.1688 6.2211 6.2211 6.5224 6.5224 7.4402 7.4402 7.7746 7.7746 9.0477 9.0477 9.2071 9.2071 k = 0.0000 0.0000 0.0214 ( 6155 PWs) bands (ev): -7.2231 -7.2231 -4.6162 -4.6144 -4.5990 -4.5965 -4.5895 -4.5892 -3.2860 -3.2859 -0.8995 -0.8949 -0.8904 -0.8774 -0.8176 -0.8110 -0.7892 -0.7869 -0.7360 -0.7224 -0.5851 -0.5814 -0.5418 -0.5399 -0.4631 -0.4595 -0.4082 -0.4055 -0.4019 -0.3981 -0.3821 -0.3812 1.3221 1.3248 1.9218 1.9244 1.9673 1.9707 2.2196 2.2263 2.6121 2.6127 3.7267 3.7333 3.7831 3.7839 5.8531 5.8617 6.1346 6.1385 6.2102 6.2150 6.5697 6.5703 7.4439 7.4478 7.7777 7.7840 9.0453 9.0515 9.2052 9.2085 k = 0.0000 0.0000 0.0428 ( 6175 PWs) bands (ev): -7.2203 -7.2203 -4.6195 -4.6144 -4.6064 -4.5998 -4.5943 -4.5936 -3.2779 -3.2777 -0.9132 -0.8981 -0.8890 -0.8714 -0.8235 -0.8114 -0.7891 -0.7847 -0.7378 -0.7123 -0.5861 -0.5789 -0.5416 -0.5375 -0.4659 -0.4590 -0.4115 -0.4063 -0.4023 -0.3968 -0.3792 -0.3753 1.3207 1.3261 1.9148 1.9212 1.9598 1.9691 2.2341 2.2461 2.6172 2.6180 3.7193 3.7334 3.7828 3.7832 5.7942 5.8133 6.0660 6.0808 6.1972 6.2021 6.6719 6.6739 7.4581 7.4659 7.7939 7.8065 9.0449 9.0562 9.2031 9.2094 k = 0.0000 0.0000 0.0642 ( 6179 PWs) bands (ev): -7.2157 -7.2156 -4.6277 -4.6193 -4.6149 -4.6043 -4.6004 -4.5995 -3.2646 -3.2643 -0.9282 -0.9029 -0.8876 -0.8702 -0.8277 -0.8133 -0.7886 -0.7824 -0.7366 -0.7021 -0.5863 -0.5763 -0.5408 -0.5339 -0.4692 -0.4592 -0.4142 -0.4078 -0.4022 -0.3958 -0.3755 -0.3666 1.3190 1.3270 1.9053 1.9167 1.9497 1.9677 2.2584 2.2738 2.6249 2.6257 3.7065 3.7284 3.7863 3.7863 5.6938 5.7212 6.0102 6.0350 6.1808 6.1852 6.7895 6.7941 7.4800 7.4915 7.8254 7.8440 9.0468 9.0611 9.2010 9.2102 k = 0.0000 0.0000 0.0856 ( 6173 PWs) bands (ev): -7.2091 -7.2090 -4.6429 -4.6374 -4.6166 -4.6097 -4.6059 -4.6056 -3.2464 -3.2461 -0.9440 -0.9103 -0.8864 -0.8731 -0.8288 -0.8157 -0.7880 -0.7803 -0.7332 -0.6929 -0.5857 -0.5736 -0.5394 -0.5289 -0.4730 -0.4602 -0.4159 -0.4096 -0.4016 -0.3947 -0.3714 -0.3563 1.3167 1.3271 1.8954 1.9125 1.9393 1.9674 2.2900 2.3070 2.6339 2.6342 3.6888 3.7173 3.7951 3.7957 5.5653 5.5970 5.9700 6.0021 6.1607 6.1638 6.9088 6.9170 7.5061 7.5207 7.8749 7.8987 9.0508 9.0657 9.1996 9.2112 k = 0.0000 0.0000 0.1070 ( 6169 PWs) bands (ev): -7.2008 -7.2006 -4.6644 -4.6601 -4.6219 -4.6185 -4.6106 -4.6077 -3.2237 -3.2234 -0.9602 -0.9209 -0.8852 -0.8773 -0.8280 -0.8185 -0.7872 -0.7782 -0.7284 -0.6854 -0.5846 -0.5711 -0.5377 -0.5230 -0.4769 -0.4618 -0.4165 -0.4114 -0.4003 -0.3933 -0.3672 -0.3449 1.3134 1.3259 1.8873 1.9097 1.9307 1.9689 2.3266 2.3441 2.6419 2.6426 3.6691 3.7033 3.8087 3.8107 5.4222 5.4570 5.9337 5.9725 6.1385 6.1393 7.0245 7.0370 7.5335 7.5498 7.9445 7.9720 9.0564 9.0698 9.1995 9.2129 k = 0.0000 0.0000 0.1285 ( 6173 PWs) bands (ev): -7.1905 -7.1903 -4.6905 -4.6869 -4.6318 -4.6294 -4.6126 -4.6089 -3.1971 -3.1968 -0.9767 -0.9344 -0.8840 -0.8808 -0.8270 -0.8213 -0.7863 -0.7762 -0.7229 -0.6799 -0.5832 -0.5686 -0.5358 -0.5163 -0.4811 -0.4638 -0.4164 -0.4133 -0.3982 -0.3916 -0.3631 -0.3329 1.3088 1.3228 1.8825 1.9093 1.9253 1.9726 2.3668 2.3836 2.6474 2.6493 3.6508 3.6899 3.8261 3.8301 5.2723 5.3099 5.8939 5.9394 6.1138 6.1158 7.1340 7.1515 7.5603 7.5770 8.0342 8.0642 9.0622 9.0729 9.2019 9.2160 k = 0.0000 0.0000 0.1499 ( 6173 PWs) bands (ev): -7.1785 -7.1783 -4.7205 -4.7172 -4.6443 -4.6421 -4.6138 -4.6099 -3.1670 -3.1668 -0.9933 -0.9496 -0.8833 -0.8829 -0.8264 -0.8240 -0.7853 -0.7743 -0.7172 -0.6761 -0.5817 -0.5662 -0.5338 -0.5098 -0.4852 -0.4659 -0.4158 -0.4152 -0.3950 -0.3898 -0.3591 -0.3206 1.3024 1.3173 1.8824 1.9121 1.9243 1.9788 2.4094 2.4246 2.6494 2.6527 3.6371 3.6804 3.8464 3.8527 5.1197 5.1604 5.8475 5.8989 6.0893 6.0938 7.2358 7.2588 7.5858 7.6021 8.1425 8.1737 9.0664 9.0744 9.2084 9.2209 k = 0.0000 0.0000 0.1713 ( 6168 PWs) bands (ev): -7.1647 -7.1644 -4.7536 -4.7505 -4.6586 -4.6563 -4.6150 -4.6109 -3.1339 -3.1337 -1.0099 -0.9658 -0.8852 -0.8817 -0.8267 -0.8264 -0.7844 -0.7724 -0.7117 -0.6737 -0.5803 -0.5639 -0.5319 -0.5040 -0.4893 -0.4679 -0.4171 -0.4152 -0.3906 -0.3877 -0.3551 -0.3086 1.2941 1.3092 1.8877 1.9181 1.9285 1.9871 2.4535 2.4661 2.6477 2.6527 3.6307 3.6773 3.8685 3.8775 4.9670 5.0114 5.7931 5.8494 6.0671 6.0731 7.3291 7.3579 7.6104 7.6256 8.2667 8.2985 9.0670 9.0738 9.2201 9.2282 k = 0.0000 0.0000 0.1927 ( 6176 PWs) bands (ev): -7.1490 -7.1487 -4.7892 -4.7862 -4.6743 -4.6719 -4.6164 -4.6122 -3.0982 -3.0981 -1.0263 -0.9824 -0.8867 -0.8806 -0.8292 -0.8270 -0.7835 -0.7706 -0.7066 -0.6724 -0.5791 -0.5616 -0.5302 -0.4997 -0.4931 -0.4695 -0.4191 -0.4147 -0.3855 -0.3854 -0.3513 -0.2972 1.2838 1.2983 1.8992 1.9266 1.9387 1.9967 2.4983 2.5064 2.6432 2.6509 3.6331 3.6822 3.8908 3.9031 4.8166 4.8655 5.7310 5.7910 6.0472 6.0537 7.4136 7.4482 7.6346 7.6485 8.4039 8.4360 9.0627 9.0703 9.2373 9.2384 k = 0.0000 0.0000 0.2141 ( 6176 PWs) bands (ev): -7.1317 -7.1313 -4.8270 -4.8241 -4.6913 -4.6887 -4.6181 -4.6137 -3.0604 -3.0603 -1.0426 -0.9991 -0.8878 -0.8795 -0.8315 -0.8279 -0.7827 -0.7689 -0.7020 -0.6719 -0.5780 -0.5593 -0.5288 -0.4972 -0.4966 -0.4705 -0.4212 -0.4144 -0.3829 -0.3801 -0.3472 -0.2868 1.2715 1.2846 1.9174 1.9357 1.9557 2.0059 2.5422 2.5431 2.6386 2.6514 3.6453 3.6958 3.9108 3.9272 4.6715 4.7258 5.6620 5.7247 6.0287 6.0352 7.4893 7.5295 7.6587 7.6712 8.5516 8.5836 9.0534 9.0636 9.2516 9.2594 k = 0.0000 0.0000 0.2355 ( 6180 PWs) bands (ev): -7.1126 -7.1122 -4.8664 -4.8636 -4.7093 -4.7065 -4.6203 -4.6157 -3.0207 -3.0205 -1.0588 -1.0157 -0.8888 -0.8784 -0.8336 -0.8293 -0.7822 -0.7672 -0.6981 -0.6718 -0.5770 -0.5569 -0.5277 -0.4998 -0.4965 -0.4710 -0.4234 -0.4143 -0.3803 -0.3755 -0.3428 -0.2777 1.2574 1.2684 1.9423 1.9436 1.9798 2.0124 2.5717 2.5817 2.6406 2.6620 3.6668 3.7178 3.9238 3.9449 4.5369 4.5975 5.5870 5.6518 6.0111 6.0172 7.5565 7.6019 7.6831 7.6943 8.7071 8.7384 9.0394 9.0536 9.2677 9.2850 k = 0.0000 0.0000 0.2569 ( 6182 PWs) bands (ev): -7.0918 -7.0914 -4.9072 -4.9044 -4.7281 -4.7252 -4.6229 -4.6181 -2.9796 -2.9790 -1.0748 -1.0322 -0.8895 -0.8773 -0.8355 -0.8308 -0.7819 -0.7655 -0.6948 -0.6721 -0.5762 -0.5543 -0.5271 -0.5026 -0.4971 -0.4710 -0.4258 -0.4144 -0.3775 -0.3722 -0.3382 -0.2703 1.2416 1.2500 1.9478 1.9731 2.0109 2.0145 2.5916 2.6075 2.6617 2.6873 3.6968 3.7475 3.9221 3.9466 4.4228 4.4887 5.5072 5.5736 5.9938 5.9991 7.6156 7.6658 7.7080 7.7179 8.8675 8.8960 9.0214 9.0418 9.2863 9.3128 k = 0.0000 0.0000 0.2783 ( 6178 PWs) bands (ev): -7.0693 -7.0689 -4.9490 -4.9462 -4.7476 -4.7445 -4.6261 -4.6212 -2.9371 -2.9363 -1.0906 -1.0486 -0.8902 -0.8762 -0.8372 -0.8326 -0.7819 -0.7639 -0.6923 -0.6726 -0.5754 -0.5517 -0.5268 -0.5049 -0.4988 -0.4708 -0.4283 -0.4146 -0.3747 -0.3704 -0.3335 -0.2647 1.2243 1.2295 1.9463 1.9951 2.0246 2.0490 2.6115 2.6249 2.7002 2.7222 3.7337 3.7834 3.8943 3.9166 4.3455 4.4112 5.4235 5.4912 5.9763 5.9809 7.6674 7.7213 7.7337 7.7422 8.9976 9.0046 9.0318 9.0768 9.3068 9.3416 k = 0.0000 0.0000 0.2997 ( 6170 PWs) bands (ev): -7.0453 -7.0448 -4.9915 -4.9888 -4.7676 -4.7643 -4.6299 -4.6248 -2.8936 -2.8924 -1.1064 -1.0648 -0.8907 -0.8751 -0.8387 -0.8346 -0.7821 -0.7624 -0.6904 -0.6732 -0.5747 -0.5489 -0.5269 -0.5068 -0.5010 -0.4705 -0.4310 -0.4150 -0.3717 -0.3700 -0.3294 -0.2609 1.2055 1.2071 1.9377 1.9833 2.0666 2.0938 2.6395 2.6491 2.7433 2.7609 3.7760 3.8190 3.8335 3.8500 4.3155 4.3727 5.3370 5.4057 5.9583 5.9621 7.7124 7.7586 7.7671 7.7706 8.9733 8.9916 9.1909 9.2264 9.3290 9.3706 k = 0.0000 0.0000 0.3211 ( 6162 PWs) bands (ev): -7.0196 -7.0191 -5.0346 -5.0319 -4.7878 -4.7843 -4.6345 -4.6292 -2.8491 -2.8475 -1.1221 -1.0810 -0.8912 -0.8739 -0.8400 -0.8366 -0.7826 -0.7610 -0.6893 -0.6738 -0.5740 -0.5461 -0.5274 -0.5083 -0.5036 -0.4704 -0.4338 -0.4155 -0.3708 -0.3686 -0.3260 -0.2591 1.1831 1.1853 1.9222 1.9593 2.1195 2.1449 2.6786 2.6852 2.7868 2.8001 3.7374 3.7435 3.8238 3.8734 4.3222 4.3682 5.2488 5.3182 5.9397 5.9428 7.7511 7.7852 7.7926 7.8118 8.9446 8.9667 9.3403 9.3425 9.3857 9.4025 k = 0.0000 0.0000 0.3426 ( 6156 PWs) bands (ev): -6.9925 -6.9919 -5.0780 -5.0753 -4.8081 -4.8045 -4.6399 -4.6344 -2.8038 -2.8018 -1.1378 -1.0971 -0.8916 -0.8728 -0.8412 -0.8387 -0.7834 -0.7596 -0.6888 -0.6744 -0.5734 -0.5431 -0.5282 -0.5094 -0.5064 -0.4704 -0.4367 -0.4162 -0.3725 -0.3656 -0.3237 -0.2590 1.1573 1.1637 1.9013 1.9290 2.1791 2.2016 2.7278 2.7339 2.8289 2.8386 3.6203 3.6403 3.8734 3.9214 4.3491 4.3854 5.1601 5.2299 5.9204 5.9227 7.7842 7.8116 7.8183 7.8470 8.9129 8.9373 9.3661 9.4121 9.4974 9.5211 k = 0.0000 0.0000 0.3640 ( 6158 PWs) bands (ev): -6.9639 -6.9633 -5.1216 -5.1190 -4.8284 -4.8245 -4.6461 -4.6405 -2.7579 -2.7554 -1.1536 -1.1133 -0.8920 -0.8716 -0.8423 -0.8409 -0.7844 -0.7584 -0.6889 -0.6750 -0.5728 -0.5402 -0.5293 -0.5102 -0.5094 -0.4705 -0.4397 -0.4172 -0.3751 -0.3627 -0.3226 -0.2606 1.1298 1.1405 1.8773 1.8958 2.2439 2.2627 2.7827 2.7939 2.8681 2.8771 3.5010 3.5346 3.9250 3.9717 4.3856 4.4143 5.0725 5.1421 5.9003 5.9019 7.8122 7.8378 7.8437 7.8763 8.8786 8.9043 9.3837 9.4340 9.6200 9.6409 k = 0.0000 0.0000 0.3854 ( 6162 PWs) bands (ev): -6.9338 -6.9332 -5.1653 -5.1626 -4.8483 -4.8444 -4.6533 -4.6474 -2.7114 -2.7084 -1.1695 -1.1295 -0.8922 -0.8704 -0.8432 -0.8432 -0.7856 -0.7573 -0.6897 -0.6756 -0.5723 -0.5373 -0.5305 -0.5126 -0.5107 -0.4706 -0.4428 -0.4184 -0.3782 -0.3598 -0.3226 -0.2636 1.1006 1.1156 1.8528 1.8626 2.3119 2.3264 2.8309 2.8606 2.9040 2.9224 3.3891 3.4369 3.9775 4.0230 4.4259 4.4476 4.9884 5.0566 5.8794 5.8803 7.8357 7.8632 7.8681 7.9003 8.8421 8.8684 9.3969 9.4477 9.7231 9.7376 k = 0.0000 0.0000 0.4068 ( 6170 PWs) bands (ev): -6.9024 -6.9017 -5.2088 -5.2062 -4.8678 -4.8637 -4.6614 -4.6554 -2.6644 -2.6609 -1.1856 -1.1460 -0.8925 -0.8693 -0.8455 -0.8441 -0.7870 -0.7564 -0.6911 -0.6761 -0.5719 -0.5347 -0.5316 -0.5158 -0.5108 -0.4708 -0.4459 -0.4198 -0.3819 -0.3571 -0.3237 -0.2679 1.0698 1.0889 1.8298 1.8318 2.3800 2.3894 2.8539 2.9040 2.9587 2.9864 3.2963 3.3579 4.0299 4.0744 4.4657 4.4792 4.9118 4.9761 5.8578 5.8580 7.8549 7.8870 7.8905 7.9192 8.8040 8.8299 9.4047 9.4536 9.8039 9.8108 k = 0.0000 0.0000 0.4282 ( 6160 PWs) bands (ev): -6.8698 -6.8690 -5.2522 -5.2496 -4.8868 -4.8826 -4.6705 -4.6644 -2.6170 -2.6128 -1.2020 -1.1626 -0.8927 -0.8681 -0.8477 -0.8448 -0.7884 -0.7555 -0.6930 -0.6766 -0.5714 -0.5342 -0.5307 -0.5190 -0.5107 -0.4711 -0.4489 -0.4214 -0.3860 -0.3547 -0.3257 -0.2732 1.0376 1.0606 1.8051 1.8102 2.4413 2.4452 2.8499 2.9030 3.0434 3.0666 3.2381 3.3079 4.0814 4.1251 4.4997 4.5013 4.8497 4.9054 5.8351 5.8356 7.8696 7.9081 7.9103 7.9334 8.7649 8.7896 9.4058 9.4508 9.8641 9.8648 k = 0.0000 0.0000 0.4496 ( 6164 PWs) bands (ev): -6.8358 -6.8351 -5.2954 -5.2928 -4.9050 -4.9006 -4.6807 -4.6744 -2.5693 -2.5644 -1.2188 -1.1796 -0.8928 -0.8668 -0.8500 -0.8455 -0.7900 -0.7547 -0.6955 -0.6771 -0.5711 -0.5355 -0.5283 -0.5223 -0.5103 -0.4713 -0.4519 -0.4233 -0.3903 -0.3526 -0.3284 -0.2792 1.0043 1.0307 1.7840 1.7951 2.4804 2.4807 2.8371 2.8812 3.1384 3.1540 3.2224 3.2921 4.1312 4.1745 4.5026 4.5199 4.8133 4.8525 5.8116 5.8127 7.8796 7.9245 7.9260 7.9436 8.7259 8.7486 9.3993 9.4390 9.9017 9.9103 k = 0.0000 0.0000 0.4710 ( 6172 PWs) bands (ev): -6.8008 -6.8000 -5.3382 -5.3356 -4.9223 -4.9178 -4.6919 -4.6855 -2.5213 -2.5156 -1.2360 -1.1971 -0.8929 -0.8656 -0.8523 -0.8461 -0.7916 -0.7539 -0.6985 -0.6776 -0.5708 -0.5370 -0.5261 -0.5255 -0.5095 -0.4716 -0.4547 -0.4254 -0.3948 -0.3509 -0.3318 -0.2857 0.9704 0.9998 1.7691 1.7852 2.4750 2.4757 2.8462 2.8716 3.2327 3.2360 3.2422 3.3160 4.1782 4.2217 4.4770 4.5163 4.8095 4.8281 5.7877 5.7894 7.8844 7.9329 7.9362 7.9509 8.6883 8.7083 9.3848 9.4181 9.9208 9.9362 k = 0.0000 0.0000 0.4924 ( 6172 PWs) bands (ev): -6.7647 -6.7638 -5.3807 -5.3782 -4.9386 -4.9340 -4.7041 -4.6977 -2.4731 -2.4666 -1.2537 -1.2150 -0.8930 -0.8644 -0.8545 -0.8467 -0.7933 -0.7533 -0.7019 -0.6781 -0.5705 -0.5385 -0.5288 -0.5241 -0.5082 -0.4718 -0.4575 -0.4277 -0.3994 -0.3498 -0.3356 -0.2925 0.9366 0.9684 1.7608 1.7811 2.4215 2.4219 2.8902 2.8943 3.2713 3.2789 3.3477 3.3933 4.2212 4.2663 4.4334 4.4875 4.8314 4.8346 5.7635 5.7657 7.8836 7.9320 7.9385 7.9542 8.6540 8.6706 9.3624 9.3888 9.9277 9.9566 k = 0.0000 0.0000 0.5138 ( 6174 PWs) bands (ev): -6.7275 -6.7266 -5.4229 -5.4204 -4.9537 -4.9491 -4.7174 -4.7108 -2.4247 -2.4173 -1.2720 -1.2335 -0.8930 -0.8632 -0.8567 -0.8472 -0.7948 -0.7526 -0.7058 -0.6787 -0.5704 -0.5399 -0.5319 -0.5224 -0.5066 -0.4720 -0.4601 -0.4301 -0.4039 -0.3493 -0.3398 -0.2994 0.9035 0.9372 1.7593 1.7828 2.3363 2.3382 2.9377 2.9541 3.3129 3.3165 3.4595 3.4970 4.2566 4.3073 4.3878 4.4447 4.8623 4.8673 5.7392 5.7420 7.8763 7.9223 7.9308 7.9497 8.6251 8.6377 9.3327 9.3523 9.9346 9.9714 k = 0.0000 0.0000 0.5352 ( 6176 PWs) bands (ev): -6.6895 -6.6885 -5.4647 -5.4622 -4.9677 -4.9629 -4.7316 -4.7249 -2.3762 -2.3679 -1.2909 -1.2526 -0.8929 -0.8620 -0.8589 -0.8477 -0.7963 -0.7520 -0.7101 -0.6795 -0.5703 -0.5411 -0.5350 -0.5211 -0.5046 -0.4721 -0.4625 -0.4327 -0.4084 -0.3494 -0.3444 -0.3062 0.8720 0.9072 1.7644 1.7903 2.2362 2.2408 2.9847 3.0202 3.3507 3.3716 3.5751 3.6094 4.2729 4.3429 4.3606 4.4016 4.9007 4.9096 5.7151 5.7182 7.8617 7.9035 7.9107 7.9344 8.6035 8.6122 9.2970 9.3101 9.9424 9.9796 k = 0.0000 0.0000 0.5566 ( 6170 PWs) bands (ev): -6.6507 -6.6496 -5.5062 -5.5037 -4.9802 -4.9753 -4.7467 -4.7400 -2.3277 -2.3184 -1.3106 -1.2725 -0.8928 -0.8610 -0.8607 -0.8481 -0.7977 -0.7513 -0.7148 -0.6805 -0.5703 -0.5422 -0.5379 -0.5200 -0.5024 -0.4721 -0.4648 -0.4352 -0.4126 -0.3504 -0.3492 -0.3128 0.8428 0.8790 1.7757 1.8033 2.1303 2.1378 3.0236 3.0752 3.3982 3.4365 3.6938 3.7264 4.2593 4.3505 4.3685 4.3884 4.9439 4.9548 5.6912 5.6948 7.8381 7.8738 7.8776 7.9074 8.5906 8.5958 9.2566 9.2640 9.9513 9.9890 k = 0.0000 0.0000 0.5781 ( 6164 PWs) bands (ev): -6.6111 -6.6100 -5.5473 -5.5448 -4.9913 -4.9863 -4.7627 -4.7559 -2.2793 -2.2689 -1.3311 -1.2933 -0.8926 -0.8631 -0.8595 -0.8484 -0.7988 -0.7506 -0.7197 -0.6816 -0.5703 -0.5429 -0.5407 -0.5191 -0.5001 -0.4721 -0.4670 -0.4378 -0.4167 -0.3542 -0.3521 -0.3191 0.8165 0.8537 1.7930 1.8216 2.0230 2.0333 3.0485 3.1090 3.4592 3.5102 3.8147 3.8464 4.2405 4.3268 4.3909 4.4136 4.9887 5.0007 5.6680 5.6717 7.8025 7.8302 7.8331 7.8703 8.5867 8.5893 9.2136 9.2159 9.9611 9.9996 k = 0.0000 0.0000 0.5995 ( 6160 PWs) bands (ev): -6.5709 -6.5697 -5.5880 -5.5856 -5.0008 -4.9957 -4.7793 -4.7725 -2.2310 -2.2194 -1.3524 -1.3149 -0.8924 -0.8651 -0.8584 -0.8488 -0.7998 -0.7498 -0.7249 -0.6831 -0.5704 -0.5434 -0.5433 -0.5183 -0.4977 -0.4719 -0.4689 -0.4402 -0.4206 -0.3595 -0.3546 -0.3250 0.7940 0.8317 1.8159 1.8443 1.9173 1.9295 3.0569 3.1182 3.5326 3.5899 3.9368 3.9681 4.2338 4.3145 4.4135 4.4383 5.0337 5.0464 5.6455 5.6493 7.7492 7.7713 7.7834 7.8247 8.5909 8.5918 9.1678 9.1695 9.9717 10.0115 k = 0.0000 0.0000 0.6209 ( 6150 PWs) bands (ev): -6.5301 -6.5289 -5.6286 -5.6262 -5.0087 -5.0035 -4.7966 -4.7898 -2.1830 -2.1702 -1.3748 -1.3376 -0.8921 -0.8671 -0.8573 -0.8490 -0.8004 -0.7488 -0.7303 -0.6849 -0.5705 -0.5456 -0.5434 -0.5177 -0.4954 -0.4716 -0.4707 -0.4425 -0.4241 -0.3650 -0.3577 -0.3307 0.7756 0.8139 1.8097 1.8277 1.8441 1.8758 3.0491 3.1051 3.6129 3.6715 4.0586 4.0898 4.2446 4.3195 4.4332 4.4597 5.0779 5.0911 5.6240 5.6276 7.6783 7.6986 7.7296 7.7706 8.6017 8.6019 9.1212 9.1263 9.9829 10.0244 k = 0.0000 0.0000 0.6423 ( 6146 PWs) bands (ev): -6.4889 -6.4877 -5.6689 -5.6665 -5.0149 -5.0096 -4.8143 -4.8075 -2.1353 -2.1212 -1.3981 -1.3613 -0.8918 -0.8690 -0.8562 -0.8492 -0.8008 -0.7477 -0.7359 -0.6871 -0.5706 -0.5478 -0.5431 -0.5171 -0.4933 -0.4724 -0.4711 -0.4445 -0.4273 -0.3708 -0.3611 -0.3363 0.7621 0.8007 1.7092 1.7287 1.8772 1.9078 3.0265 3.0741 3.6942 3.7512 4.1776 4.2074 4.2770 4.3436 4.4496 4.4788 5.1207 5.1344 5.6037 5.6069 7.5957 7.6153 7.6681 7.7074 8.6174 8.6176 9.0776 9.0852 9.9944 10.0383 k = 0.0000 0.0000 0.6637 ( 6138 PWs) bands (ev): -6.4474 -6.4461 -5.7090 -5.7066 -5.0193 -5.0139 -4.8324 -4.8255 -2.0880 -2.0727 -1.4226 -1.3862 -0.8913 -0.8708 -0.8552 -0.8494 -0.8009 -0.7465 -0.7415 -0.6897 -0.5706 -0.5498 -0.5423 -0.5166 -0.4914 -0.4739 -0.4706 -0.4464 -0.4301 -0.3767 -0.3648 -0.3417 0.7536 0.7927 1.6115 1.6331 1.9150 1.9450 2.9912 3.0294 3.7720 3.8256 4.2880 4.2953 4.3522 4.3866 4.4644 4.5006 5.1617 5.1760 5.5847 5.5871 7.5056 7.5246 7.5978 7.6354 8.6366 8.6372 9.0379 9.0474 10.0058 10.0527 k = 0.0000 0.0000 0.6851 ( 6138 PWs) bands (ev): -6.4056 -6.4042 -5.7490 -5.7467 -5.0220 -5.0165 -4.8505 -4.8437 -2.0414 -2.0246 -1.4483 -1.4124 -0.8909 -0.8726 -0.8542 -0.8495 -0.8007 -0.7471 -0.7450 -0.6926 -0.5704 -0.5517 -0.5412 -0.5163 -0.4897 -0.4752 -0.4699 -0.4480 -0.4325 -0.3827 -0.3685 -0.3472 0.7507 0.7900 1.5176 1.5414 1.9571 1.9863 2.9456 2.9746 3.8441 3.8933 4.3499 4.3727 4.4480 4.4631 4.4843 4.5391 5.2007 5.2158 5.5670 5.5681 7.4112 7.4297 7.5195 7.5554 8.6578 8.6592 9.0025 9.0133 10.0167 10.0672 k = 0.0000 0.0000 0.7065 ( 6146 PWs) bands (ev): -6.3636 -6.3622 -5.7889 -5.7866 -5.0228 -5.0172 -4.8686 -4.8618 -1.9954 -1.9772 -1.4752 -1.4399 -0.8903 -0.8743 -0.8534 -0.8495 -0.8001 -0.7526 -0.7432 -0.6958 -0.5701 -0.5534 -0.5396 -0.5161 -0.4883 -0.4764 -0.4691 -0.4494 -0.4343 -0.3888 -0.3720 -0.3525 0.7536 0.7931 1.4281 1.4540 2.0033 2.0316 2.8921 2.9126 3.9099 3.9543 4.3856 4.4103 4.5233 4.5273 4.5754 4.6106 5.2375 5.2537 5.5501 5.5509 7.3157 7.3338 7.4348 7.4692 8.6802 8.6826 8.9715 8.9831 10.0268 10.0695 k = 0.0000 0.0000 0.7279 ( 6142 PWs) bands (ev): -6.3215 -6.3200 -5.8288 -5.8266 -5.0218 -5.0161 -4.8865 -4.8798 -1.9502 -1.9306 -1.5034 -1.4688 -0.8897 -0.8760 -0.8526 -0.8495 -0.7991 -0.7580 -0.7412 -0.6993 -0.5697 -0.5551 -0.5377 -0.5161 -0.4871 -0.4774 -0.4681 -0.4508 -0.4355 -0.3948 -0.3751 -0.3578 0.7625 0.8021 1.3432 1.3712 2.0533 2.0805 2.8328 2.8458 3.9701 4.0097 4.3958 4.4166 4.5892 4.6144 4.6808 4.7022 5.2720 5.2896 5.5326 5.5361 7.2223 7.2403 7.3461 7.3791 8.7029 8.7065 8.9444 8.9564 10.0355 10.0684 k = 0.0000 0.0000 0.7493 ( 6152 PWs) bands (ev): -6.2795 -6.2779 -5.8688 -5.8667 -5.0190 -5.0131 -4.9040 -4.8973 -1.9060 -1.8849 -1.5330 -1.4992 -0.8890 -0.8775 -0.8519 -0.8495 -0.7978 -0.7632 -0.7389 -0.7031 -0.5691 -0.5567 -0.5354 -0.5163 -0.4863 -0.4784 -0.4670 -0.4522 -0.4359 -0.4008 -0.3777 -0.3628 0.7774 0.8170 1.2633 1.2932 2.1070 2.1327 2.7695 2.7760 4.0256 4.0609 4.3892 4.4085 4.6686 4.7038 4.7759 4.7946 5.3041 5.3236 5.5157 5.5227 7.1349 7.1531 7.2565 7.2881 8.7254 8.7302 8.9205 8.9327 10.0428 10.0661 k = 0.0000 0.0000 0.7707 ( 6154 PWs) bands (ev): -6.2375 -6.2359 -5.9089 -5.9068 -5.0144 -5.0084 -4.9209 -4.9142 -1.8628 -1.8402 -1.5639 -1.5311 -0.8882 -0.8790 -0.8513 -0.8495 -0.7961 -0.7682 -0.7363 -0.7070 -0.5683 -0.5582 -0.5329 -0.5169 -0.4856 -0.4793 -0.4658 -0.4537 -0.4355 -0.4065 -0.3797 -0.3675 0.7986 0.8380 1.1886 1.2202 2.1640 2.1881 2.7036 2.7045 4.0773 4.1089 4.3731 4.3921 4.7501 4.7910 4.8569 4.8778 5.3338 5.3557 5.4989 5.5106 7.0578 7.0765 7.1695 7.1998 8.7473 8.7533 8.8993 8.9114 10.0483 10.0637 k = 0.0000 0.0000 0.7922 ( 6162 PWs) bands (ev): -6.1957 -6.1940 -5.9492 -5.9471 -5.0079 -5.0019 -4.9370 -4.9304 -1.8207 -1.7967 -1.5963 -1.5645 -0.8873 -0.8804 -0.8508 -0.8495 -0.7939 -0.7729 -0.7334 -0.7111 -0.5674 -0.5597 -0.5303 -0.5178 -0.4850 -0.4802 -0.4645 -0.4552 -0.4343 -0.4120 -0.3810 -0.3716 0.8260 0.8652 1.1193 1.1525 2.2240 2.2463 2.6325 2.6364 4.1259 4.1543 4.3504 4.3695 4.8263 4.8710 4.9197 4.9458 5.3610 5.3856 5.4821 5.4991 6.9956 7.0153 7.0895 7.1184 8.7683 8.7754 8.8799 8.8917 10.0522 10.0617 k = 0.0000 0.0000 0.8136 ( 6162 PWs) bands (ev): -6.1540 -6.1522 -5.9897 -5.9877 -4.9998 -4.9937 -4.9521 -4.9456 -1.7799 -1.7544 -1.6302 -1.5994 -0.8864 -0.8818 -0.8504 -0.8496 -0.7914 -0.7773 -0.7302 -0.7151 -0.5663 -0.5611 -0.5276 -0.5190 -0.4844 -0.4811 -0.4631 -0.4568 -0.4322 -0.4171 -0.3815 -0.3751 0.8597 0.8983 1.0556 1.0902 2.2870 2.3071 2.5606 2.5687 4.1715 4.1973 4.3224 4.3421 4.8916 4.9385 4.9608 4.9936 5.3856 5.4130 5.4649 5.4873 6.9530 6.9740 7.0212 7.0487 8.7884 8.7965 8.8616 8.8729 10.0547 10.0603 k = 0.0000 0.0000 0.8350 ( 6150 PWs) bands (ev): -6.1126 -6.1107 -6.0304 -6.0284 -4.9901 -4.9838 -4.9661 -4.9596 -1.7403 -1.7135 -1.6654 -1.6359 -0.8853 -0.8830 -0.8500 -0.8496 -0.7884 -0.7814 -0.7267 -0.7191 -0.5651 -0.5625 -0.5251 -0.5207 -0.4837 -0.4820 -0.4616 -0.4584 -0.4294 -0.4218 -0.3811 -0.3779 0.8996 0.9375 0.9976 1.0336 2.3524 2.3701 2.4897 2.5014 4.2142 4.2378 4.2900 4.3107 4.9412 4.9780 4.9882 5.0175 5.4079 5.4372 5.4471 5.4740 6.9337 6.9562 6.9697 6.9956 8.8075 8.8166 8.8438 8.8545 10.0565 10.0591 k = 0.0000 0.0000 0.8564 ( 6164 PWs) bands (ev): -6.0713 -6.0713 -6.0694 -6.0694 -4.9788 -4.9788 -4.9724 -4.9724 -1.7022 -1.7022 -1.6740 -1.6740 -0.8843 -0.8843 -0.8498 -0.8498 -0.7851 -0.7851 -0.7230 -0.7230 -0.5639 -0.5639 -0.5227 -0.5227 -0.4829 -0.4829 -0.4601 -0.4601 -0.4259 -0.4259 -0.3799 -0.3799 0.9456 0.9456 0.9826 0.9826 2.4201 2.4201 2.4350 2.4350 4.2538 4.2538 4.2758 4.2758 4.9710 4.9710 5.0155 5.0155 5.4282 5.4282 5.4575 5.4575 6.9395 6.9395 6.9637 6.9637 8.8259 8.8259 8.8358 8.8358 10.0579 10.0579 k = 0.0000 0.0000 0.8564 ( 6164 PWs) bands (ev): -6.0713 -6.0713 -6.0694 -6.0694 -4.9788 -4.9788 -4.9724 -4.9724 -1.7022 -1.7022 -1.6740 -1.6740 -0.8843 -0.8843 -0.8498 -0.8498 -0.7851 -0.7851 -0.7230 -0.7230 -0.5639 -0.5639 -0.5227 -0.5227 -0.4829 -0.4829 -0.4601 -0.4601 -0.4259 -0.4259 -0.3799 -0.3799 0.9456 0.9456 0.9826 0.9826 2.4201 2.4201 2.4350 2.4350 4.2538 4.2538 4.2758 4.2758 4.9710 4.9710 5.0155 5.0155 5.4282 5.4282 5.4575 5.4575 6.9395 6.9395 6.9637 6.9637 8.8259 8.8259 8.8358 8.8358 10.0579 10.0579 k =-0.0118 0.0163 0.8564 ( 6156 PWs) bands (ev): -6.0715 -6.0715 -6.0696 -6.0696 -4.9790 -4.9790 -4.9726 -4.9726 -1.7016 -1.7016 -1.6734 -1.6734 -0.8844 -0.8844 -0.8496 -0.8496 -0.7854 -0.7854 -0.7222 -0.7222 -0.5640 -0.5640 -0.5223 -0.5223 -0.4839 -0.4839 -0.4593 -0.4593 -0.4251 -0.4251 -0.3791 -0.3791 0.9462 0.9462 0.9831 0.9831 2.4206 2.4206 2.4356 2.4356 4.2498 4.2498 4.2721 4.2721 4.9699 4.9699 5.0147 5.0147 5.4235 5.4235 5.4532 5.4532 6.9437 6.9437 6.9680 6.9680 8.8338 8.8338 8.8440 8.8440 10.0554 10.0554 k =-0.0235 0.0327 0.8564 ( 6152 PWs) bands (ev): -6.0720 -6.0720 -6.0700 -6.0700 -4.9796 -4.9796 -4.9732 -4.9732 -1.6998 -1.6998 -1.6716 -1.6716 -0.8847 -0.8847 -0.8490 -0.8490 -0.7862 -0.7862 -0.7198 -0.7198 -0.5642 -0.5642 -0.5213 -0.5213 -0.4864 -0.4864 -0.4574 -0.4574 -0.4227 -0.4227 -0.3765 -0.3765 0.9480 0.9480 0.9848 0.9848 2.4220 2.4220 2.4371 2.4371 4.2381 4.2381 4.2610 4.2610 4.9667 4.9667 5.0123 5.0123 5.4096 5.4096 5.4406 5.4406 6.9560 6.9560 6.9806 6.9806 8.8570 8.8570 8.8680 8.8680 10.0477 10.0477 k =-0.0353 0.0490 0.8564 ( 6158 PWs) bands (ev): -6.0728 -6.0728 -6.0708 -6.0708 -4.9806 -4.9806 -4.9742 -4.9742 -1.6969 -1.6969 -1.6687 -1.6687 -0.8852 -0.8852 -0.8481 -0.8481 -0.7872 -0.7872 -0.7162 -0.7162 -0.5645 -0.5645 -0.5196 -0.5196 -0.4895 -0.4895 -0.4556 -0.4556 -0.4185 -0.4185 -0.3723 -0.3723 0.9510 0.9510 0.9875 0.9875 2.4244 2.4244 2.4396 2.4396 4.2190 4.2190 4.2429 4.2429 4.9614 4.9614 5.0083 5.0083 5.3870 5.3870 5.4201 5.4201 6.9764 6.9764 7.0014 7.0014 8.8948 8.8948 8.9069 8.9069 10.0341 10.0341 k =-0.0470 0.0654 0.8564 ( 6154 PWs) bands (ev): -6.0739 -6.0739 -6.0719 -6.0719 -4.9819 -4.9819 -4.9754 -4.9754 -1.6930 -1.6930 -1.6647 -1.6647 -0.8858 -0.8858 -0.8471 -0.8471 -0.7883 -0.7883 -0.7116 -0.7116 -0.5648 -0.5648 -0.5175 -0.5175 -0.4928 -0.4928 -0.4542 -0.4542 -0.4123 -0.4123 -0.3664 -0.3664 0.9553 0.9553 0.9913 0.9913 2.4277 2.4277 2.4432 2.4432 4.1931 4.1931 4.2181 4.2181 4.9538 4.9538 5.0028 5.0028 5.3566 5.3566 5.3927 5.3927 7.0045 7.0045 7.0301 7.0301 8.9454 8.9454 8.9589 8.9589 10.0135 10.0135 k =-0.0588 0.0817 0.8564 ( 6168 PWs) bands (ev): -6.0755 -6.0755 -6.0734 -6.0734 -4.9833 -4.9833 -4.9768 -4.9768 -1.6881 -1.6881 -1.6598 -1.6598 -0.8865 -0.8865 -0.8461 -0.8461 -0.7890 -0.7890 -0.7064 -0.7064 -0.5650 -0.5650 -0.5155 -0.5155 -0.4956 -0.4956 -0.4534 -0.4534 -0.4043 -0.4043 -0.3589 -0.3589 0.9610 0.9610 0.9964 0.9964 2.4318 2.4318 2.4477 2.4477 4.1608 4.1608 4.1872 4.1872 4.9439 4.9439 4.9957 4.9957 5.3196 5.3196 5.3597 5.3597 7.0397 7.0397 7.0660 7.0660 9.0069 9.0069 9.0218 9.0218 9.9849 9.9849 k =-0.0705 0.0981 0.8564 ( 6170 PWs) bands (ev): -6.0774 -6.0774 -6.0753 -6.0753 -4.9849 -4.9849 -4.9783 -4.9783 -1.6825 -1.6825 -1.6542 -1.6542 -0.8871 -0.8871 -0.8453 -0.8453 -0.7893 -0.7893 -0.7009 -0.7009 -0.5651 -0.5651 -0.5138 -0.5138 -0.4977 -0.4977 -0.4532 -0.4532 -0.3947 -0.3947 -0.3497 -0.3497 0.9680 0.9680 1.0027 1.0027 2.4369 2.4369 2.4530 2.4530 4.1232 4.1232 4.1508 4.1508 4.9316 4.9316 4.9871 4.9871 5.2771 5.2771 5.3223 5.3223 7.0816 7.0816 7.1085 7.1085 9.0764 9.0764 9.0927 9.0927 9.9477 9.9477 k =-0.0823 0.1144 0.8564 ( 6168 PWs) bands (ev): -6.0799 -6.0799 -6.0777 -6.0777 -4.9863 -4.9863 -4.9797 -4.9797 -1.6762 -1.6762 -1.6479 -1.6479 -0.8877 -0.8877 -0.8448 -0.8448 -0.7890 -0.7890 -0.6952 -0.6952 -0.5649 -0.5649 -0.5131 -0.5131 -0.4984 -0.4984 -0.4532 -0.4532 -0.3836 -0.3836 -0.3389 -0.3389 0.9766 0.9766 1.0103 1.0103 2.4427 2.4427 2.4593 2.4593 4.0808 4.0808 4.1096 4.1096 4.9165 4.9165 4.9770 4.9770 5.2305 5.2305 5.2819 5.2819 7.1295 7.1295 7.1571 7.1571 9.1504 9.1504 9.1679 9.1679 9.9021 9.9021 k =-0.0940 0.1308 0.8564 ( 6170 PWs) bands (ev): -6.0829 -6.0829 -6.0806 -6.0806 -4.9875 -4.9875 -4.9808 -4.9808 -1.6695 -1.6695 -1.6413 -1.6413 -0.8882 -0.8882 -0.8446 -0.8446 -0.7881 -0.7881 -0.6897 -0.6897 -0.5645 -0.5645 -0.5138 -0.5138 -0.4975 -0.4975 -0.4535 -0.4535 -0.3713 -0.3713 -0.3267 -0.3267 0.9867 0.9867 1.0195 1.0195 2.4492 2.4492 2.4663 2.4663 4.0347 4.0347 4.0646 4.0646 4.8985 4.8985 4.9652 4.9652 5.1812 5.1812 5.2400 5.2400 7.1826 7.1826 7.2110 7.2110 9.2245 9.2245 9.2429 9.2429 9.8489 9.8489 k =-0.1058 0.1471 0.8564 ( 6168 PWs) bands (ev): -6.0864 -6.0864 -6.0841 -6.0841 -4.9883 -4.9883 -4.9815 -4.9815 -1.6625 -1.6625 -1.6343 -1.6343 -0.8885 -0.8885 -0.8448 -0.8448 -0.7866 -0.7866 -0.6846 -0.6846 -0.5638 -0.5638 -0.5154 -0.5154 -0.4956 -0.4956 -0.4538 -0.4538 -0.3580 -0.3580 -0.3132 -0.3132 0.9987 0.9987 1.0303 1.0303 2.4565 2.4565 2.4740 2.4740 3.9856 3.9856 4.0166 4.0166 4.8773 4.8773 4.9518 4.9518 5.1305 5.1305 5.1981 5.1981 7.2402 7.2402 7.2694 7.2694 9.2930 9.2930 9.3119 9.3119 9.7903 9.7903 k =-0.1175 0.1634 0.8564 ( 6172 PWs) bands (ev): -6.0906 -6.0906 -6.0882 -6.0882 -4.9885 -4.9885 -4.9817 -4.9817 -1.6555 -1.6555 -1.6273 -1.6273 -0.8888 -0.8888 -0.8452 -0.8452 -0.7847 -0.7847 -0.6798 -0.6798 -0.5628 -0.5628 -0.5174 -0.5174 -0.4932 -0.4932 -0.4542 -0.4542 -0.3438 -0.3438 -0.2987 -0.2987 1.0126 1.0126 1.0428 1.0428 2.4643 2.4643 2.4824 2.4824 3.9344 3.9344 3.9665 3.9665 4.8527 4.8527 4.9360 4.9360 5.0801 5.0801 5.1572 5.1572 7.3016 7.3016 7.3315 7.3315 9.3473 9.3473 9.3683 9.3683 9.7290 9.7290 k =-0.1293 0.1798 0.8564 ( 6164 PWs) bands (ev): -6.0954 -6.0954 -6.0930 -6.0930 -4.9880 -4.9880 -4.9811 -4.9811 -1.6485 -1.6485 -1.6204 -1.6204 -0.8889 -0.8889 -0.8458 -0.8458 -0.7825 -0.7825 -0.6756 -0.6756 -0.5615 -0.5615 -0.5195 -0.5195 -0.4907 -0.4907 -0.4546 -0.4546 -0.3290 -0.3290 -0.2835 -0.2835 1.0286 1.0286 1.0573 1.0573 2.4726 2.4726 2.4912 2.4912 3.8820 3.8820 3.9151 3.9151 4.8245 4.8245 4.9167 4.9167 5.0321 5.0321 5.1185 5.1185 7.3658 7.3658 7.3965 7.3965 9.3750 9.3750 9.4045 9.4045 9.6700 9.6700 k =-0.1293 0.1798 0.8564 ( 6164 PWs) bands (ev): -6.0954 -6.0954 -6.0930 -6.0930 -4.9880 -4.9880 -4.9811 -4.9811 -1.6485 -1.6485 -1.6204 -1.6204 -0.8889 -0.8889 -0.8458 -0.8458 -0.7825 -0.7825 -0.6756 -0.6756 -0.5615 -0.5615 -0.5195 -0.5195 -0.4907 -0.4907 -0.4546 -0.4546 -0.3290 -0.3290 -0.2835 -0.2835 1.0286 1.0286 1.0573 1.0573 2.4726 2.4726 2.4912 2.4912 3.8820 3.8820 3.9151 3.9151 4.8245 4.8245 4.9167 4.9167 5.0321 5.0321 5.1185 5.1185 7.3658 7.3658 7.3965 7.3965 9.3750 9.3750 9.4045 9.4045 9.6700 9.6700 k =-0.1381 0.1921 0.8413 ( 6166 PWs) bands (ev): -6.1223 -6.1204 -6.0764 -6.0743 -4.9995 -4.9936 -4.9731 -4.9669 -1.6673 -1.6419 -1.6182 -1.5917 -0.8892 -0.8886 -0.8484 -0.8442 -0.7839 -0.7776 -0.6739 -0.6719 -0.5607 -0.5601 -0.5226 -0.5194 -0.4898 -0.4880 -0.4559 -0.4536 -0.3205 -0.3166 -0.2720 -0.2686 1.0198 1.0475 1.0673 1.0946 2.4360 2.4562 2.5227 2.5404 3.8213 3.8438 3.8746 3.8939 4.7801 4.7933 4.8976 4.9048 4.9801 4.9931 5.1014 5.1157 7.4124 7.4246 7.4422 7.4576 9.3532 9.3786 9.4121 9.4193 9.6131 9.6501 k =-0.1469 0.2043 0.8261 ( 6164 PWs) bands (ev): -6.1485 -6.1466 -6.0596 -6.0574 -5.0111 -5.0053 -4.9567 -4.9502 -1.6868 -1.6618 -1.5915 -1.5644 -0.8895 -0.8883 -0.8510 -0.8425 -0.7853 -0.7727 -0.6724 -0.6686 -0.5599 -0.5585 -0.5256 -0.5192 -0.4892 -0.4856 -0.4568 -0.4526 -0.3152 -0.3063 -0.2571 -0.2496 1.0181 1.0445 1.1075 1.1333 2.4015 2.4232 2.5714 2.5887 3.7581 3.7851 3.8517 3.8723 4.7175 4.7345 4.8632 4.8704 4.9429 4.9554 5.1105 5.1283 7.4669 7.4876 7.4965 7.5238 9.2946 9.3372 9.4151 9.4216 9.5839 9.6270 k =-0.1558 0.2166 0.8110 ( 6157 PWs) bands (ev): -6.1738 -6.1719 -6.0447 -6.0425 -5.0225 -5.0169 -4.9382 -4.9316 -1.7067 -1.6824 -1.5660 -1.5389 -0.8898 -0.8879 -0.8534 -0.8407 -0.7866 -0.7681 -0.6712 -0.6659 -0.5592 -0.5566 -0.5283 -0.5188 -0.4887 -0.4836 -0.4573 -0.4517 -0.3130 -0.2995 -0.2373 -0.2269 1.0235 1.0484 1.1488 1.1732 2.3692 2.3923 2.6181 2.6352 3.6949 3.7241 3.8290 3.8487 4.6455 4.6629 4.7888 4.8050 4.9358 4.9490 5.1272 5.1453 7.5274 7.5507 7.5597 7.5930 9.2105 9.2557 9.4110 9.4224 9.5600 9.6130 k =-0.1646 0.2289 0.7959 ( 6159 PWs) bands (ev): -6.1980 -6.1962 -6.0318 -6.0295 -5.0336 -5.0282 -4.9179 -4.9111 -1.7269 -1.7034 -1.5421 -1.5153 -0.8901 -0.8875 -0.8558 -0.8388 -0.7881 -0.7637 -0.6703 -0.6636 -0.5587 -0.5547 -0.5308 -0.5182 -0.4884 -0.4819 -0.4573 -0.4509 -0.3135 -0.2961 -0.2129 -0.2008 1.0359 1.0591 1.1912 1.2141 2.3392 2.3634 2.6616 2.6793 3.6328 3.6633 3.8045 3.8230 4.5687 4.5858 4.7043 4.7240 4.9394 4.9519 5.1458 5.1637 7.5919 7.6139 7.6281 7.6634 9.1132 9.1568 9.4015 9.4231 9.5282 9.5875 k =-0.1734 0.2412 0.7808 ( 6159 PWs) bands (ev): -6.2211 -6.2194 -6.0207 -6.0183 -5.0443 -5.0392 -4.8959 -4.8890 -1.7474 -1.7247 -1.5199 -1.4936 -0.8905 -0.8871 -0.8579 -0.8368 -0.7895 -0.7597 -0.6697 -0.6618 -0.5584 -0.5528 -0.5330 -0.5175 -0.4884 -0.4806 -0.4569 -0.4500 -0.3161 -0.2956 -0.1846 -0.1719 1.0551 1.0766 1.2344 1.2558 2.3116 2.3368 2.7011 2.7200 3.5727 3.6037 3.7778 3.7948 4.4896 4.5063 4.6176 4.6392 4.9451 4.9564 5.1648 5.1824 7.6577 7.6773 7.6984 7.7331 9.0110 9.0526 9.3876 9.4233 9.4918 9.5564 k =-0.1823 0.2534 0.7657 ( 6163 PWs) bands (ev): -6.2431 -6.2415 -6.0113 -6.0089 -5.0547 -5.0498 -4.8727 -4.8655 -1.7680 -1.7461 -1.4995 -1.4738 -0.8908 -0.8867 -0.8599 -0.8349 -0.7909 -0.7561 -0.6693 -0.6605 -0.5584 -0.5510 -0.5349 -0.5165 -0.4886 -0.4796 -0.4560 -0.4493 -0.3203 -0.2975 -0.1532 -0.1406 1.0807 1.1004 1.2781 1.2981 2.2865 2.3124 2.7355 2.7561 3.5154 3.5459 3.7485 3.7641 4.4101 4.4261 4.5319 4.5551 4.9508 4.9609 5.1835 5.2011 7.7203 7.7390 7.7698 7.8011 8.9092 8.9492 9.3674 9.4174 9.4598 9.5288 k =-0.1911 0.2657 0.7506 ( 6169 PWs) bands (ev): -6.2638 -6.2623 -6.0036 -6.0011 -5.0647 -5.0599 -4.8483 -4.8410 -1.7887 -1.7675 -1.4808 -1.4560 -0.8911 -0.8864 -0.8615 -0.8329 -0.7923 -0.7530 -0.6691 -0.6596 -0.5587 -0.5493 -0.5364 -0.5153 -0.4889 -0.4788 -0.4547 -0.4486 -0.3259 -0.3011 -0.1195 -0.1072 1.1122 1.1302 1.3221 1.3408 2.2639 2.2903 2.7636 2.7864 3.4616 3.4901 3.7162 3.7305 4.3316 4.3468 4.4497 4.4745 4.9558 4.9648 5.2020 5.2195 7.7736 7.7967 7.8416 7.8675 8.8120 8.8505 9.3390 9.3867 9.4542 9.5112 k =-0.1999 0.2780 0.7354 ( 6169 PWs) bands (ev): -6.2834 -6.2819 -5.9973 -5.9948 -5.0742 -5.0696 -4.8233 -4.8157 -1.8094 -1.7889 -1.4637 -1.4400 -0.8915 -0.8861 -0.8629 -0.8310 -0.7936 -0.7504 -0.6690 -0.6591 -0.5594 -0.5477 -0.5376 -0.5139 -0.4892 -0.4782 -0.4531 -0.4479 -0.3325 -0.3062 -0.0839 -0.0723 1.1490 1.1654 1.3662 1.3837 2.2438 2.2705 2.7846 2.8095 3.4116 3.4366 3.6801 3.6938 4.2556 4.2695 4.3733 4.3999 4.9599 4.9681 5.2199 5.2376 7.8134 7.8441 7.9133 7.9342 8.7233 8.7602 9.3030 9.3425 9.4663 9.5066 k =-0.2087 0.2902 0.7203 ( 6174 PWs) bands (ev): -6.3016 -6.3003 -5.9922 -5.9897 -5.0831 -5.0789 -4.7979 -4.7902 -1.8298 -1.8100 -1.4483 -1.4257 -0.8918 -0.8858 -0.8641 -0.8291 -0.7948 -0.7482 -0.6691 -0.6590 -0.5605 -0.5463 -0.5384 -0.5123 -0.4896 -0.4779 -0.4513 -0.4473 -0.3398 -0.3124 -0.0471 -0.0363 1.1903 1.2054 1.4101 1.4267 2.2263 2.2530 2.7979 2.8246 3.3652 3.3849 3.6395 3.6535 4.1837 4.1959 4.3045 4.3335 4.9631 4.9705 5.2375 5.2554 7.8372 7.8739 7.9841 8.0019 8.6467 8.6817 9.2627 9.2965 9.4873 9.5145 k =-0.2176 0.3025 0.7052 ( 6172 PWs) bands (ev): -6.3185 -6.3173 -5.9883 -5.9857 -5.0916 -5.0875 -4.7726 -4.7646 -1.8499 -1.8306 -1.4343 -1.4131 -0.8922 -0.8856 -0.8651 -0.8273 -0.7959 -0.7466 -0.6692 -0.6592 -0.5619 -0.5451 -0.5389 -0.5106 -0.4898 -0.4777 -0.4492 -0.4468 -0.3475 -0.3193 -0.0097 0.0002 1.2355 1.2496 1.4537 1.4694 2.2114 2.2378 2.8033 2.8313 3.3213 3.3349 3.5939 3.6092 4.1173 4.1283 4.2447 4.2768 4.9654 4.9722 5.2546 5.2729 7.8429 7.8822 8.0533 8.0694 8.5852 8.6175 9.2215 9.2520 9.5161 9.5337 k =-0.2264 0.3148 0.6901 ( 6173 PWs) bands (ev): -6.3341 -6.3329 -5.9853 -5.9827 -5.0994 -5.0955 -4.7477 -4.7396 -1.8693 -1.8506 -1.4219 -1.4021 -0.8925 -0.8854 -0.8659 -0.8257 -0.7968 -0.7454 -0.6693 -0.6597 -0.5635 -0.5440 -0.5392 -0.5086 -0.4900 -0.4776 -0.4469 -0.4463 -0.3552 -0.3267 0.0276 0.0366 1.2834 1.2970 1.4965 1.5117 2.1991 2.2248 2.8014 2.8302 3.2763 3.2875 3.5429 3.5603 4.0576 4.0693 4.1947 4.2304 4.9669 4.9732 5.2713 5.2901 7.8299 7.8689 8.1196 8.1347 8.5399 8.5685 9.1818 9.2109 9.5523 9.5635 k =-0.2352 0.3271 0.6750 ( 6164 PWs) bands (ev): -6.3483 -6.3472 -5.9831 -5.9805 -5.1066 -5.1030 -4.7237 -4.7153 -1.8880 -1.8698 -1.4108 -1.3925 -0.8928 -0.8852 -0.8665 -0.8242 -0.7975 -0.7447 -0.6695 -0.6605 -0.5653 -0.5430 -0.5393 -0.5065 -0.4902 -0.4777 -0.4459 -0.4445 -0.3629 -0.3343 0.0642 0.0724 1.3332 1.3467 1.5385 1.5532 2.1893 2.2141 2.7935 2.8226 3.2266 3.2439 3.4870 3.5074 4.0057 4.0202 4.1550 4.1944 4.9677 4.9735 5.2874 5.3068 7.8006 7.8368 8.1820 8.1966 8.5088 8.5335 9.1451 9.1743 9.5950 9.6041 k =-0.2440 0.3393 0.6599 ( 6173 PWs) bands (ev): -6.3610 -6.3600 -5.9816 -5.9790 -5.1131 -5.1097 -4.7009 -4.6924 -1.9055 -1.8878 -1.4010 -1.3843 -0.8931 -0.8850 -0.8671 -0.8229 -0.7979 -0.7443 -0.6697 -0.6614 -0.5672 -0.5422 -0.5394 -0.5043 -0.4902 -0.4779 -0.4455 -0.4420 -0.3704 -0.3418 0.0995 0.1068 1.3837 1.3977 1.5791 1.5934 2.1821 2.2054 2.7813 2.8107 3.1734 3.2004 3.4272 3.4517 3.9622 3.9808 4.1255 4.1682 4.9678 4.9733 5.3029 5.3228 7.7591 7.7918 8.2396 8.2537 8.4878 8.5090 9.1122 9.1427 9.6433 9.6545 k =-0.2529 0.3516 0.6447 ( 6181 PWs) bands (ev): -6.3723 -6.3714 -5.9805 -5.9779 -5.1189 -5.1157 -4.6798 -4.6710 -1.9218 -1.9044 -1.3925 -1.3774 -0.8934 -0.8848 -0.8677 -0.8218 -0.7982 -0.7441 -0.6699 -0.6625 -0.5690 -0.5415 -0.5394 -0.5019 -0.4901 -0.4782 -0.4452 -0.4393 -0.3774 -0.3491 0.1328 0.1392 1.4337 1.4487 1.6181 1.6320 2.1775 2.1990 2.7667 2.7966 3.1178 3.1547 3.3659 3.3952 3.9268 3.9499 4.1054 4.1508 4.9674 4.9727 5.3175 5.3382 7.7109 7.7399 8.2914 8.3053 8.4732 8.4915 9.0836 9.1162 9.6973 9.7123 k =-0.2617 0.3639 0.6296 ( 6183 PWs) bands (ev): -6.3822 -6.3813 -5.9799 -5.9772 -5.1240 -5.1210 -4.6606 -4.6517 -1.9366 -1.9195 -1.3852 -1.3717 -0.8937 -0.8846 -0.8682 -0.8209 -0.7982 -0.7442 -0.6701 -0.6635 -0.5708 -0.5408 -0.5394 -0.4995 -0.4900 -0.4786 -0.4450 -0.4367 -0.3839 -0.3560 0.1633 0.1690 1.4818 1.4982 1.6548 1.6680 2.1754 2.1947 2.7518 2.7826 3.0606 3.1062 3.3058 3.3404 3.8985 3.9261 4.0932 4.1408 4.9666 4.9717 5.3311 5.3525 7.6608 7.6864 8.3365 8.3504 8.4624 8.4784 9.0596 9.0945 9.7558 9.7753 k =-0.2705 0.3762 0.6145 ( 6180 PWs) bands (ev): -6.3905 -6.3898 -5.9795 -5.9768 -5.1284 -5.1255 -4.6437 -4.6347 -1.9495 -1.9327 -1.3790 -1.3670 -0.8939 -0.8843 -0.8687 -0.8202 -0.7981 -0.7445 -0.6704 -0.6645 -0.5723 -0.5403 -0.5394 -0.4971 -0.4898 -0.4791 -0.4448 -0.4341 -0.3897 -0.3622 0.1906 0.1953 1.5268 1.5446 1.6884 1.7007 2.1755 2.1928 2.7383 2.7708 3.0031 3.0552 3.2501 3.2898 3.8762 3.9078 4.0873 4.1363 4.9656 4.9706 5.3435 5.3655 7.6127 7.6355 8.3732 8.3886 8.4544 8.4687 9.0399 9.0773 9.8169 9.8412 k =-0.2793 0.3884 0.5994 ( 6180 PWs) bands (ev): -6.3973 -6.3967 -5.9793 -5.9766 -5.1320 -5.1293 -4.6295 -4.6203 -1.9605 -1.9438 -1.3739 -1.3634 -0.8941 -0.8840 -0.8691 -0.8196 -0.7979 -0.7449 -0.6707 -0.6653 -0.5737 -0.5399 -0.5394 -0.4948 -0.4895 -0.4797 -0.4446 -0.4316 -0.3947 -0.3677 0.2139 0.2178 1.5669 1.5863 1.7180 1.7289 2.1773 2.1934 2.7280 2.7631 2.9472 3.0027 3.2016 3.2454 3.8589 3.8939 4.0856 4.1357 4.9646 4.9694 5.3542 5.3768 7.5696 7.5903 8.3985 8.4194 8.4484 8.4651 9.0244 9.0640 9.8778 9.9079 k =-0.2882 0.4007 0.5843 ( 6176 PWs) bands (ev): -6.4027 -6.4021 -5.9792 -5.9765 -5.1348 -5.1322 -4.6181 -4.6089 -1.9692 -1.9527 -1.3699 -1.3608 -0.8942 -0.8837 -0.8696 -0.8191 -0.7977 -0.7452 -0.6710 -0.6660 -0.5747 -0.5396 -0.5393 -0.4928 -0.4889 -0.4805 -0.4445 -0.4293 -0.3988 -0.3723 0.2328 0.2357 1.6006 1.6213 1.7424 1.7517 2.1799 2.1966 2.7222 2.7611 2.8954 2.9511 3.1624 3.2091 3.8459 3.8837 4.0864 4.1371 4.9636 4.9683 5.3630 5.3861 7.5340 7.5530 8.4093 8.4413 8.4446 8.4715 9.0128 9.0541 9.9351 9.9723 k =-0.2970 0.4130 0.5692 ( 6170 PWs) bands (ev): -6.4065 -6.4060 -5.9792 -5.9765 -5.1368 -5.1343 -4.6099 -4.6005 -1.9756 -1.9592 -1.3669 -1.3590 -0.8943 -0.8835 -0.8699 -0.8188 -0.7975 -0.7455 -0.6713 -0.6664 -0.5755 -0.5395 -0.5391 -0.4915 -0.4879 -0.4814 -0.4444 -0.4275 -0.4018 -0.3758 0.2468 0.2488 1.6262 1.6480 1.7604 1.7681 2.1825 2.2012 2.7217 2.7654 2.8519 2.9030 3.1337 3.1823 3.8370 3.8767 4.0882 4.1392 4.9628 4.9675 5.3695 5.3930 7.5074 7.5251 8.4110 8.4371 8.4609 8.4825 9.0047 9.0473 9.9843 10.0306 k =-0.3058 0.4253 0.5540 ( 6166 PWs) bands (ev): -6.4088 -6.4083 -5.9792 -5.9765 -5.1380 -5.1356 -4.6048 -4.5955 -1.9794 -1.9631 -1.3651 -1.3580 -0.8944 -0.8833 -0.8701 -0.8186 -0.7974 -0.7457 -0.6715 -0.6666 -0.5760 -0.5395 -0.5390 -0.4909 -0.4866 -0.4825 -0.4444 -0.4263 -0.4037 -0.3780 0.2555 0.2565 1.6424 1.6648 1.7714 1.7780 2.1844 2.2053 2.7261 2.7723 2.8249 2.8621 3.1162 3.1658 3.8317 3.8726 4.0897 4.1408 4.9623 4.9669 5.3735 5.3973 7.4910 7.5080 8.4102 8.4336 8.4715 8.4908 8.9999 9.0433 10.0190 10.0758 k =-0.3146 0.4375 0.5389 ( 6174 PWs) bands (ev): -6.4096 -6.4091 -5.9792 -5.9765 -5.1384 -5.1360 -4.6031 -4.5938 -1.9807 -1.9644 -1.3646 -1.3576 -0.8944 -0.8833 -0.8702 -0.8185 -0.7973 -0.7458 -0.6715 -0.6667 -0.5762 -0.5395 -0.5390 -0.4908 -0.4859 -0.4831 -0.4444 -0.4259 -0.4044 -0.3788 0.2586 0.2589 1.6480 1.6706 1.7751 1.7812 2.1851 2.2069 2.7298 2.7735 2.8241 2.8385 3.1103 3.1603 3.8299 3.8712 4.0903 4.1415 4.9621 4.9667 5.3749 5.3988 7.4854 7.5022 8.4097 8.4324 8.4750 8.4938 8.9984 9.0420 10.0319 10.0944 k =-0.3146 0.4375 0.5389 ( 6174 PWs) bands (ev): -6.4096 -6.4091 -5.9792 -5.9765 -5.1384 -5.1360 -4.6031 -4.5938 -1.9807 -1.9644 -1.3646 -1.3576 -0.8944 -0.8833 -0.8702 -0.8185 -0.7973 -0.7458 -0.6715 -0.6667 -0.5762 -0.5395 -0.5390 -0.4908 -0.4859 -0.4831 -0.4444 -0.4259 -0.4044 -0.3788 0.2586 0.2589 1.6480 1.6706 1.7751 1.7812 2.1851 2.2069 2.7298 2.7735 2.8241 2.8385 3.1103 3.1603 3.8299 3.8712 4.0903 4.1415 4.9621 4.9667 5.3749 5.3988 7.4854 7.5022 8.4097 8.4324 8.4750 8.4938 8.9984 9.0420 10.0319 10.0944 k =-0.3057 0.4250 0.5235 ( 6170 PWs) bands (ev): -6.4291 -6.4286 -5.9428 -5.9400 -5.1484 -5.1458 -4.6020 -4.5923 -2.0115 -1.9959 -1.3508 -1.3436 -0.8957 -0.8847 -0.8706 -0.8222 -0.7946 -0.7435 -0.6703 -0.6668 -0.5752 -0.5418 -0.5395 -0.4928 -0.4874 -0.4810 -0.4432 -0.4231 -0.4000 -0.3783 0.2750 0.2759 1.6328 1.6512 1.8119 1.8177 2.1569 2.1814 2.6974 2.7414 2.8063 2.8239 3.0390 3.0914 3.8591 3.8832 4.1060 4.1420 4.9797 4.9859 5.3927 5.4156 7.5059 7.5253 8.4272 8.4503 8.4743 8.4959 9.0666 9.1085 10.1425 10.2075 k =-0.2967 0.4125 0.5081 ( 6164 PWs) bands (ev): -6.4513 -6.4507 -5.9050 -5.9021 -5.1542 -5.1514 -4.6009 -4.5910 -2.0441 -2.0293 -1.3376 -1.3301 -0.8969 -0.8859 -0.8707 -0.8259 -0.7921 -0.7414 -0.6693 -0.6672 -0.5743 -0.5443 -0.5392 -0.4948 -0.4892 -0.4786 -0.4424 -0.4196 -0.3957 -0.3778 0.2832 0.2855 1.6184 1.6322 1.8603 1.8654 2.1312 2.1580 2.6669 2.7120 2.7852 2.8044 2.9691 3.0242 3.8870 3.8923 4.1346 4.1530 4.9909 4.9989 5.4058 5.4276 7.5256 7.5474 8.4394 8.4654 8.4715 8.4980 9.1288 9.1691 10.2593 10.3276 k =-0.2877 0.4000 0.4927 ( 6172 PWs) bands (ev): -6.4760 -6.4753 -5.8659 -5.8629 -5.1559 -5.1530 -4.5999 -4.5898 -2.0785 -2.0645 -1.3250 -1.3171 -0.8982 -0.8869 -0.8705 -0.8295 -0.7900 -0.7394 -0.6686 -0.6678 -0.5737 -0.5463 -0.5386 -0.4968 -0.4913 -0.4761 -0.4420 -0.4156 -0.3913 -0.3774 0.2839 0.2879 1.6044 1.6136 1.9196 1.9233 2.1087 2.1370 2.6389 2.6858 2.7609 2.7802 2.9010 2.9591 3.9009 3.9133 4.1731 4.1743 4.9953 5.0051 5.4139 5.4344 7.5444 7.5686 8.4443 8.4628 8.4858 8.5064 9.1853 9.2242 10.3790 10.4520 k =-0.2787 0.3875 0.4773 ( 6163 PWs) bands (ev): -6.5029 -6.5022 -5.8256 -5.8225 -5.1537 -5.1506 -4.5990 -4.5887 -2.1147 -2.1016 -1.3129 -1.3044 -0.8994 -0.8877 -0.8699 -0.8329 -0.7882 -0.7374 -0.6686 -0.6681 -0.5735 -0.5475 -0.5378 -0.4987 -0.4936 -0.4733 -0.4418 -0.4115 -0.3869 -0.3771 0.2776 0.2837 1.5904 1.5950 1.9887 1.9894 2.0911 2.1188 2.6137 2.6628 2.7339 2.7519 2.8352 2.8968 3.9107 3.9377 4.2050 4.2189 4.9924 5.0042 5.4169 5.4363 7.5627 7.5888 8.4439 8.4583 8.5053 8.5230 9.2363 9.2742 10.4967 10.5771 k =-0.2697 0.3750 0.4619 ( 6163 PWs) bands (ev): -6.5319 -6.5311 -5.7841 -5.7808 -5.1479 -5.1446 -4.5983 -4.5878 -2.1525 -2.1402 -1.3011 -1.2921 -0.9006 -0.8883 -0.8692 -0.8360 -0.7869 -0.7355 -0.6696 -0.6678 -0.5738 -0.5479 -0.5368 -0.5007 -0.4961 -0.4704 -0.4419 -0.4074 -0.3825 -0.3770 0.2653 0.2736 1.5760 1.5764 2.0494 2.0652 2.0913 2.1040 2.5911 2.6433 2.7052 2.7202 2.7725 2.8381 3.9222 3.9601 4.2440 4.2701 4.9819 4.9958 5.4151 5.4335 7.5808 7.6085 8.4428 8.4569 8.5279 8.5461 9.2816 9.3188 10.6032 10.6972 k =-0.2607 0.3625 0.4465 ( 6167 PWs) bands (ev): -6.5625 -6.5618 -5.7414 -5.7381 -5.1386 -5.1351 -4.5976 -4.5871 -2.1919 -2.1805 -1.2896 -1.2801 -0.9018 -0.8886 -0.8683 -0.8386 -0.7860 -0.7337 -0.6708 -0.6676 -0.5744 -0.5475 -0.5357 -0.5026 -0.4988 -0.4674 -0.4422 -0.4037 -0.3780 -0.3770 0.2478 0.2584 1.5576 1.5610 2.0542 2.0891 2.1508 2.1565 2.5710 2.6272 2.6758 2.6860 2.7144 2.7842 3.9351 3.9807 4.2899 4.3258 4.9637 4.9798 5.4089 5.4266 7.5994 7.6282 8.4444 8.4601 8.5544 8.5744 9.3205 9.3575 10.6760 10.8005 k =-0.2517 0.3500 0.4311 ( 6161 PWs) bands (ev): -6.5945 -6.5937 -5.6976 -5.6942 -5.1262 -5.1226 -4.5971 -4.5865 -2.2328 -2.2221 -1.2783 -1.2681 -0.9028 -0.8888 -0.8674 -0.8406 -0.7856 -0.7319 -0.6720 -0.6674 -0.5752 -0.5466 -0.5345 -0.5045 -0.5015 -0.4643 -0.4426 -0.4003 -0.3772 -0.3734 0.2262 0.2391 1.5388 1.5451 2.0482 2.0790 2.2369 2.2382 2.5526 2.6145 2.6457 2.6511 2.6657 2.7371 3.9486 3.9991 4.3413 4.3852 4.9378 4.9560 5.3992 5.4167 7.6191 7.6485 8.4508 8.4690 8.5849 8.6071 9.3523 9.3895 10.6633 10.7197 k =-0.2427 0.3375 0.4157 ( 6167 PWs) bands (ev): -6.6276 -6.6268 -5.6529 -5.6494 -5.1110 -5.1073 -4.5967 -4.5860 -2.2749 -2.2651 -1.2672 -1.2562 -0.9038 -0.8887 -0.8665 -0.8419 -0.7857 -0.7303 -0.6732 -0.6673 -0.5760 -0.5454 -0.5332 -0.5065 -0.5044 -0.4613 -0.4431 -0.3974 -0.3776 -0.3687 0.2011 0.2166 1.5198 1.5284 2.0444 2.0705 2.3146 2.3198 2.5351 2.6031 2.6124 2.6209 2.6383 2.7002 3.9616 4.0147 4.3972 4.4477 4.9045 4.9249 5.3871 5.4050 7.6406 7.6701 8.4629 8.4842 8.6192 8.6436 9.3758 9.4137 10.5694 10.6061 k =-0.2337 0.3250 0.4003 ( 6161 PWs) bands (ev): -6.6614 -6.6606 -5.6072 -5.6036 -5.0934 -5.0895 -4.5965 -4.5857 -2.3182 -2.3092 -1.2561 -1.2443 -0.9047 -0.8884 -0.8658 -0.8423 -0.7861 -0.7289 -0.6744 -0.6672 -0.5766 -0.5440 -0.5319 -0.5084 -0.5073 -0.4582 -0.4438 -0.3951 -0.3781 -0.3641 0.1733 0.1914 1.5009 1.5109 2.0429 2.0632 2.3652 2.3836 2.5171 2.5871 2.5897 2.6078 2.6396 2.6828 3.9729 4.0267 4.4569 4.5131 4.8641 4.8867 5.3739 5.3930 7.6645 7.6938 8.4811 8.5057 8.6567 8.6832 9.3898 9.4289 10.4466 10.4769 k =-0.2247 0.3125 0.3849 ( 6169 PWs) bands (ev): -6.6956 -6.6949 -5.5607 -5.5570 -5.0736 -5.0697 -4.5964 -4.5856 -2.3626 -2.3543 -1.2450 -1.2323 -0.9055 -0.8879 -0.8653 -0.8418 -0.7869 -0.7277 -0.6756 -0.6672 -0.5770 -0.5426 -0.5305 -0.5102 -0.5102 -0.4552 -0.4445 -0.3933 -0.3789 -0.3597 0.1435 0.1642 1.4822 1.4930 2.0432 2.0563 2.3708 2.4053 2.4980 2.5743 2.5791 2.6026 2.6880 2.7095 3.9813 4.0341 4.5198 4.5811 4.8173 4.8420 5.3612 5.3825 7.6912 7.7199 8.5052 8.5335 8.6963 8.7247 9.3929 9.4335 10.3144 10.3408 k =-0.2158 0.3000 0.3695 ( 6175 PWs) bands (ev): -6.7301 -6.7294 -5.5135 -5.5097 -5.0520 -5.0480 -4.5964 -4.5857 -2.4078 -2.4003 -1.2339 -1.2202 -0.9061 -0.8872 -0.8650 -0.8405 -0.7881 -0.7269 -0.6767 -0.6672 -0.5769 -0.5414 -0.5292 -0.5129 -0.5119 -0.4523 -0.4454 -0.3919 -0.3798 -0.3555 0.1122 0.1356 1.4639 1.4749 2.0441 2.0489 2.3448 2.3886 2.4792 2.5610 2.5741 2.6004 2.7756 2.7857 3.9856 4.0358 4.5853 4.6512 4.7651 4.7916 5.3506 5.3752 7.7208 7.7487 8.5351 8.5672 8.7368 8.7667 9.3833 9.4260 10.1813 10.2042 k =-0.2068 0.2875 0.3541 ( 6169 PWs) bands (ev): -6.7645 -6.7638 -5.4655 -5.4617 -5.0289 -5.0248 -4.5965 -4.5859 -2.4538 -2.4470 -1.2226 -1.2078 -0.9066 -0.8864 -0.8647 -0.8384 -0.7895 -0.7264 -0.6777 -0.6672 -0.5764 -0.5404 -0.5281 -0.5154 -0.5134 -0.4495 -0.4464 -0.3909 -0.3810 -0.3516 0.0797 0.1059 1.4464 1.4570 2.0401 2.0442 2.3070 2.3557 2.4629 2.5469 2.5735 2.6027 2.8818 2.8876 3.9849 4.0311 4.6531 4.7059 4.7256 4.7365 5.3437 5.3728 7.7533 7.7802 8.5699 8.6060 8.7762 8.8073 9.3591 9.4043 10.0536 10.0729 k =-0.1978 0.2750 0.3387 ( 6171 PWs) bands (ev): -6.7986 -6.7979 -5.4171 -5.4132 -5.0046 -5.0004 -4.5968 -4.5862 -2.5005 -2.4943 -1.2112 -1.1951 -0.9070 -0.8854 -0.8644 -0.8358 -0.7911 -0.7264 -0.6786 -0.6673 -0.5755 -0.5398 -0.5278 -0.5171 -0.5145 -0.4475 -0.4467 -0.3903 -0.3823 -0.3482 0.0466 0.0757 1.4297 1.4395 2.0294 2.0424 2.2660 2.3179 2.4509 2.5356 2.5767 2.6085 2.9972 3.0013 3.9785 4.0193 4.6469 4.6770 4.7235 4.7983 5.3419 5.3766 7.7883 7.8142 8.6085 8.6492 8.8120 8.8437 9.3183 9.3658 9.9375 9.9532 k =-0.1888 0.2625 0.3233 ( 6165 PWs) bands (ev): -6.8322 -6.8315 -5.3682 -5.3642 -4.9794 -4.9751 -4.5972 -4.5867 -2.5476 -2.5421 -1.1995 -1.1821 -0.9073 -0.8843 -0.8639 -0.8328 -0.7929 -0.7268 -0.6793 -0.6673 -0.5743 -0.5397 -0.5286 -0.5174 -0.5153 -0.4486 -0.4441 -0.3900 -0.3837 -0.3452 0.0130 0.0451 1.4140 1.4226 2.0164 2.0377 2.2250 2.2792 2.4443 2.5288 2.5831 2.6169 3.1175 3.1210 3.9661 4.0006 4.5840 4.6160 4.7946 4.8740 5.3462 5.3875 7.8252 7.8500 8.6495 8.6952 8.8412 8.8725 9.2592 9.3080 9.8391 9.8524 k =-0.1798 0.2500 0.3080 ( 6165 PWs) bands (ev): -6.8651 -6.8645 -5.3189 -5.3149 -4.9535 -4.9490 -4.5977 -4.5873 -2.5950 -2.5902 -1.1875 -1.1687 -0.9074 -0.8832 -0.8632 -0.8294 -0.7948 -0.7277 -0.6800 -0.6674 -0.5726 -0.5400 -0.5307 -0.5165 -0.5157 -0.4499 -0.4415 -0.3899 -0.3853 -0.3427 -0.0207 0.0145 1.3996 1.4068 2.0011 2.0295 2.1856 2.2414 2.4434 2.5264 2.5921 2.6273 3.2407 3.2439 3.9480 3.9753 4.5203 4.5538 4.8673 4.9513 5.3573 5.4059 7.8631 7.8868 8.6906 8.7422 8.8597 8.8889 9.1829 9.2304 9.7598 9.7767 k =-0.1708 0.2375 0.2926 ( 6165 PWs) bands (ev): -6.8972 -6.8966 -5.2695 -5.2655 -4.9271 -4.9226 -4.5982 -4.5880 -2.6427 -2.6384 -1.1752 -1.1548 -0.9075 -0.8820 -0.8621 -0.8258 -0.7968 -0.7290 -0.6807 -0.6675 -0.5707 -0.5407 -0.5334 -0.5157 -0.5149 -0.4513 -0.4391 -0.3900 -0.3870 -0.3408 -0.0544 -0.0160 1.3866 1.3920 1.9839 2.0180 2.1483 2.2053 2.4477 2.5277 2.6031 2.6392 3.3650 3.3678 3.9252 3.9444 4.4576 4.4923 4.9411 5.0298 5.3753 5.4317 7.9007 7.9232 8.7276 8.7864 8.8635 8.8869 9.0958 9.1375 9.6749 9.7291 k =-0.1618 0.2250 0.2772 ( 6167 PWs) bands (ev): -6.9283 -6.9277 -5.2200 -5.2159 -4.9006 -4.8960 -4.5989 -4.5888 -2.6903 -2.6866 -1.1626 -1.1405 -0.9074 -0.8809 -0.8608 -0.8221 -0.7988 -0.7307 -0.6814 -0.6676 -0.5688 -0.5414 -0.5363 -0.5154 -0.5128 -0.4528 -0.4368 -0.3903 -0.3888 -0.3395 -0.0878 -0.0460 1.3751 1.3786 1.9654 2.0040 2.1135 2.1714 2.4560 2.5317 2.6156 2.6520 3.4883 3.4903 3.8989 3.9095 4.3984 4.4341 5.0156 5.1091 5.4000 5.4646 7.9360 7.9572 8.7501 8.8120 8.8569 8.8619 9.0119 9.0408 9.5608 9.6067 k =-0.1528 0.2125 0.2618 ( 6167 PWs) bands (ev): -6.9583 -6.9577 -5.1705 -5.1665 -4.8741 -4.8695 -4.5996 -4.5897 -2.7378 -2.7346 -1.1495 -1.1256 -0.9072 -0.8797 -0.8591 -0.8183 -0.8008 -0.7328 -0.6822 -0.6676 -0.5673 -0.5418 -0.5394 -0.5150 -0.5104 -0.4544 -0.4346 -0.3908 -0.3906 -0.3389 -0.1208 -0.0756 1.3651 1.3665 1.9462 1.9883 2.0816 2.1399 2.4667 2.5370 2.6288 2.6652 3.6074 3.6076 3.8717 3.8721 4.3465 4.3828 5.0905 5.1892 5.4308 5.5039 7.9663 7.9860 8.7247 8.7712 8.8323 8.8692 8.9459 8.9590 9.4530 9.4844 k =-0.1438 0.2000 0.2464 ( 6159 PWs) bands (ev): -6.9871 -6.9865 -5.1213 -5.1173 -4.8479 -4.8432 -4.6004 -4.5907 -2.7851 -2.7824 -1.1360 -1.1102 -0.9069 -0.8787 -0.8571 -0.8146 -0.8028 -0.7352 -0.6833 -0.6677 -0.5665 -0.5425 -0.5412 -0.5144 -0.5079 -0.4561 -0.4325 -0.3925 -0.3913 -0.3388 -0.1532 -0.1044 1.3558 1.3566 1.9272 1.9719 2.0526 2.1110 2.4780 2.5422 2.6423 2.6780 3.7093 3.7169 3.8347 3.8486 4.3088 4.3445 5.1655 5.2695 5.4670 5.5486 7.9881 8.0060 8.6364 8.6811 8.8146 8.8651 8.8949 8.9083 9.3689 9.3868 k =-0.1348 0.1875 0.2310 ( 6167 PWs) bands (ev): -7.0145 -7.0140 -5.0725 -5.0685 -4.8222 -4.8174 -4.6012 -4.5917 -2.8319 -2.8296 -1.1221 -1.0943 -0.9065 -0.8778 -0.8548 -0.8109 -0.8048 -0.7379 -0.6846 -0.6677 -0.5667 -0.5455 -0.5394 -0.5140 -0.5053 -0.4580 -0.4306 -0.3944 -0.3920 -0.3394 -0.1848 -0.1324 1.3466 1.3496 1.9090 1.9557 2.0267 2.0849 2.4882 2.5457 2.6552 2.6896 3.7661 3.7867 3.8187 3.8502 4.2974 4.3298 5.2403 5.3498 5.5077 5.5978 7.9964 8.0121 8.5245 8.5692 8.7769 8.8325 8.8526 8.8692 9.3188 9.3269 k =-0.1259 0.1750 0.2156 ( 6165 PWs) bands (ev): -7.0405 -7.0400 -5.0243 -5.0204 -4.7972 -4.7923 -4.6020 -4.5928 -2.8780 -2.8762 -1.1077 -1.0777 -0.9060 -0.8770 -0.8522 -0.8074 -0.8066 -0.7409 -0.6864 -0.6677 -0.5681 -0.5485 -0.5364 -0.5135 -0.5027 -0.4601 -0.4287 -0.3962 -0.3927 -0.3406 -0.2153 -0.1594 1.3389 1.3441 1.8921 1.9404 2.0040 2.0615 2.4955 2.5463 2.6669 2.6995 3.7595 3.7618 3.8701 3.8794 4.3276 4.3529 5.3144 5.4296 5.5522 5.6507 7.9862 7.9991 8.4069 8.4507 8.7087 8.7817 8.8216 8.8230 9.3017 9.3064 k =-0.1169 0.1625 0.2002 ( 6167 PWs) bands (ev): -7.0650 -7.0645 -4.9770 -4.9731 -4.7730 -4.7680 -4.6029 -4.5938 -2.9233 -2.9219 -1.0929 -1.0607 -0.9054 -0.8763 -0.8493 -0.8084 -0.8041 -0.7441 -0.6887 -0.6677 -0.5701 -0.5514 -0.5326 -0.5130 -0.5003 -0.4623 -0.4270 -0.3978 -0.3934 -0.3426 -0.2445 -0.1854 1.3325 1.3399 1.8772 1.9266 1.9844 2.0409 2.4985 2.5427 2.6767 2.7068 3.7303 3.7443 3.8871 3.8902 4.4029 4.4197 5.3875 5.5080 5.5998 5.7061 7.9531 7.9630 8.2898 8.3321 8.6191 8.6929 8.8041 8.8054 9.3057 9.3102 k =-0.1079 0.1500 0.1848 ( 6167 PWs) bands (ev): -7.0879 -7.0875 -4.9307 -4.9270 -4.7499 -4.7448 -4.6037 -4.5949 -2.9675 -2.9664 -1.0776 -1.0431 -0.9047 -0.8759 -0.8462 -0.8101 -0.8011 -0.7475 -0.6915 -0.6678 -0.5726 -0.5541 -0.5286 -0.5121 -0.4982 -0.4645 -0.4254 -0.3993 -0.3942 -0.3453 -0.2719 -0.2101 1.3275 1.3367 1.8648 1.9149 1.9681 2.0231 2.4960 2.5341 2.6840 2.7110 3.7065 3.7285 3.8736 3.8838 4.5096 4.5200 5.4593 5.5841 5.6502 5.7632 7.8956 7.9026 8.1763 8.2168 8.5194 8.5885 8.8053 8.8054 9.3177 9.3218 k =-0.0989 0.1375 0.1694 ( 6167 PWs) bands (ev): -7.1092 -7.1088 -4.8858 -4.8822 -4.7280 -4.7228 -4.6045 -4.5959 -3.0104 -3.0096 -1.0619 -1.0250 -0.9039 -0.8756 -0.8429 -0.8118 -0.7984 -0.7511 -0.6950 -0.6680 -0.5753 -0.5568 -0.5254 -0.5104 -0.4969 -0.4666 -0.4239 -0.4005 -0.3950 -0.3491 -0.2969 -0.2335 1.3236 1.3346 1.8554 1.9057 1.9548 2.0080 2.4871 2.5198 2.6883 2.7116 3.6890 3.7173 3.8513 3.8651 4.6335 4.6397 5.5292 5.6555 5.7043 5.8210 7.8155 7.8202 8.0682 8.1065 8.4170 8.4807 8.8201 8.8215 9.3287 9.3307 k =-0.0899 0.1250 0.1540 ( 6155 PWs) bands (ev): -7.1288 -7.1284 -4.8426 -4.8391 -4.7075 -4.7022 -4.6052 -4.5968 -3.0517 -3.0512 -1.0458 -1.0066 -0.9030 -0.8754 -0.8395 -0.8135 -0.7960 -0.7547 -0.6992 -0.6685 -0.5779 -0.5592 -0.5237 -0.5070 -0.4969 -0.4682 -0.4227 -0.4013 -0.3960 -0.3545 -0.3185 -0.2556 1.3208 1.3331 1.8491 1.8992 1.9447 1.9955 2.4718 2.5000 2.6892 2.7086 3.6781 3.7112 3.8278 3.8432 4.7665 4.7701 5.5968 5.7187 5.7642 5.8785 7.7168 7.7201 7.9667 8.0022 8.3165 8.3747 8.8461 8.8483 9.3317 9.3331 k =-0.0809 0.1125 0.1386 ( 6165 PWs) bands (ev): -7.1466 -7.1463 -4.8013 -4.7981 -4.6886 -4.6831 -4.6059 -4.5975 -3.0910 -3.0907 -1.0294 -0.9879 -0.9020 -0.8754 -0.8358 -0.8152 -0.7940 -0.7585 -0.7041 -0.6696 -0.5803 -0.5616 -0.5236 -0.5021 -0.4991 -0.4687 -0.4215 -0.4019 -0.3970 -0.3625 -0.3349 -0.2762 1.3189 1.3322 1.8465 1.8956 1.9377 1.9854 2.4503 2.4749 2.6867 2.7019 3.6736 3.7101 3.8068 3.8226 4.9045 4.9062 5.6618 5.7732 5.8290 5.9347 7.6043 7.6068 7.8722 7.9047 8.2205 8.2734 8.8794 8.8817 9.3232 9.3287 k =-0.0719 0.1000 0.1232 ( 6171 PWs) bands (ev): -7.1627 -7.1625 -4.7625 -4.7595 -4.6714 -4.6656 -4.6065 -4.5982 -3.1280 -3.1280 -1.0127 -0.9691 -0.9010 -0.8755 -0.8321 -0.8171 -0.7923 -0.7624 -0.7096 -0.6713 -0.5825 -0.5638 -0.5246 -0.5038 -0.4965 -0.4680 -0.4205 -0.4020 -0.3984 -0.3731 -0.3456 -0.2952 1.3178 1.3315 1.8475 1.8948 1.9337 1.9775 2.4234 2.4453 2.6809 2.6921 3.6745 3.7129 3.7900 3.8056 5.0453 5.0455 5.7236 5.8218 5.8943 5.9887 7.4819 7.4838 7.7853 7.8146 8.1310 8.1785 8.9162 8.9178 9.3063 9.3152 k =-0.0629 0.0875 0.1078 ( 6179 PWs) bands (ev): -7.1770 -7.1768 -4.7265 -4.7238 -4.6561 -4.6501 -4.6069 -4.5985 -3.1624 -3.1624 -0.9959 -0.9505 -0.8999 -0.8755 -0.8284 -0.8192 -0.7911 -0.7663 -0.7156 -0.6741 -0.5843 -0.5660 -0.5262 -0.5107 -0.4906 -0.4663 -0.4194 -0.4018 -0.4005 -0.3833 -0.3529 -0.3127 1.3174 1.3309 1.8523 1.8967 1.9326 1.9716 2.3923 2.4124 2.6722 2.6798 3.6796 3.7183 3.7779 3.7930 5.1860 5.1871 5.7821 5.8664 5.9570 6.0393 7.3525 7.3541 7.7065 7.7325 8.0493 8.0915 8.9535 8.9535 9.2839 9.2946 k =-0.0539 0.0750 0.0924 ( 6183 PWs) bands (ev): -7.1894 -7.1892 -4.6939 -4.6916 -4.6428 -4.6365 -4.6070 -4.5985 -3.1937 -3.1935 -0.9790 -0.9327 -0.8987 -0.8753 -0.8246 -0.8215 -0.7901 -0.7702 -0.7218 -0.6783 -0.5857 -0.5681 -0.5283 -0.5187 -0.4848 -0.4642 -0.4182 -0.4035 -0.4013 -0.3904 -0.3588 -0.3287 1.3174 1.3303 1.8607 1.9007 1.9345 1.9674 2.3584 2.3773 2.6615 2.6660 3.6874 3.7247 3.7708 3.7848 5.3261 5.3285 5.8373 5.9076 6.0153 6.0855 7.2186 7.2199 7.6367 7.6593 7.9767 8.0133 8.9858 8.9884 9.2599 9.2700 k =-0.0449 0.0625 0.0770 ( 6175 PWs) bands (ev): -7.2000 -7.1998 -4.6651 -4.6635 -4.6317 -4.6254 -4.6064 -4.5980 -3.2214 -3.2211 -0.9621 -0.9166 -0.8975 -0.8744 -0.8241 -0.8208 -0.7895 -0.7740 -0.7277 -0.6842 -0.5866 -0.5704 -0.5307 -0.5266 -0.4793 -0.4620 -0.4168 -0.4070 -0.4005 -0.3944 -0.3642 -0.3430 1.3178 1.3295 1.8722 1.9060 1.9394 1.9647 2.3236 2.3415 2.6497 2.6517 3.6966 3.7302 3.7686 3.7806 5.4633 5.4673 5.8897 5.9459 6.0679 6.1261 7.0819 7.0830 7.5765 7.5956 7.9141 7.9450 9.0120 9.0181 9.2383 9.2451 k =-0.0360 0.0500 0.0616 ( 6167 PWs) bands (ev): -7.2086 -7.2085 -4.6409 -4.6405 -4.6224 -4.6177 -4.6042 -4.5967 -3.2449 -3.2446 -0.9456 -0.9040 -0.8962 -0.8724 -0.8263 -0.8173 -0.7892 -0.7777 -0.7328 -0.6920 -0.5870 -0.5730 -0.5334 -0.5332 -0.4742 -0.4603 -0.4150 -0.4094 -0.3997 -0.3967 -0.3693 -0.3557 1.3186 1.3286 1.8858 1.9117 1.9469 1.9633 2.2897 2.3066 2.6379 2.6383 3.7059 3.7335 3.7707 3.7795 5.5937 5.5998 5.9414 5.9830 6.1139 6.1602 6.9444 6.9453 7.5266 7.5421 7.8623 7.8873 9.0300 9.0399 9.2223 9.2241 k =-0.0270 0.0375 0.0462 ( 6161 PWs) bands (ev): -7.2154 -7.2153 -4.6254 -4.6225 -4.6133 -4.6129 -4.5996 -4.5948 -3.2637 -3.2635 -0.9295 -0.8964 -0.8950 -0.8702 -0.8266 -0.8141 -0.7891 -0.7811 -0.7365 -0.7015 -0.5869 -0.5758 -0.5381 -0.5357 -0.4698 -0.4592 -0.4128 -0.4099 -0.3987 -0.3984 -0.3741 -0.3666 1.3196 1.3275 1.9002 1.9170 1.9560 1.9632 2.2591 2.2742 2.6266 2.6271 3.7143 3.7348 3.7751 3.7805 5.7098 5.7186 5.9970 6.0237 6.1524 6.1868 6.8088 6.8095 7.4877 7.4993 7.8219 7.8409 9.0397 9.0518 9.2107 9.2134 k =-0.0180 0.0250 0.0308 ( 6175 PWs) bands (ev): -7.2202 -7.2201 -4.6189 -4.6152 -4.6060 -4.6026 -4.5942 -4.5922 -3.2775 -3.2773 -0.9142 -0.8939 -0.8932 -0.8712 -0.8233 -0.8118 -0.7892 -0.7843 -0.7378 -0.7120 -0.5863 -0.5787 -0.5408 -0.5380 -0.4661 -0.4589 -0.4104 -0.4086 -0.4000 -0.3981 -0.3783 -0.3755 1.3208 1.3262 1.9130 1.9215 1.9646 1.9647 2.2347 2.2467 2.6177 2.6185 3.7213 3.7346 3.7796 3.7823 5.7995 5.8099 6.0632 6.0758 6.1829 6.2054 6.6801 6.6806 7.4601 7.4679 7.7936 7.8064 9.0435 9.0543 9.2054 9.2098 k =-0.0090 0.0125 0.0154 ( 6155 PWs) bands (ev): -7.2231 -7.2230 -4.6162 -4.6145 -4.5990 -4.5968 -4.5895 -4.5892 -3.2859 -3.2858 -0.9002 -0.8926 -0.8923 -0.8772 -0.8176 -0.8110 -0.7892 -0.7868 -0.7360 -0.7222 -0.5852 -0.5813 -0.5417 -0.5399 -0.4631 -0.4595 -0.4078 -0.4062 -0.4013 -0.3984 -0.3817 -0.3814 1.3221 1.3248 1.9216 1.9244 1.9680 1.9700 2.2198 2.2265 2.6122 2.6127 3.7268 3.7333 3.7828 3.7839 5.8534 5.8608 6.1342 6.1374 6.2065 6.2166 6.5717 6.5721 7.4442 7.4481 7.7778 7.7842 9.0452 9.0515 9.2054 9.2084 k = 0.0000 0.0000 0.0000 ( 6147 PWs) bands (ev): -7.2240 -7.2240 -4.6149 -4.6149 -4.5961 -4.5961 -4.5876 -4.5876 -3.2887 -3.2887 -0.8927 -0.8927 -0.8868 -0.8868 -0.8129 -0.8129 -0.7885 -0.7885 -0.7307 -0.7307 -0.5835 -0.5835 -0.5413 -0.5413 -0.4609 -0.4609 -0.4058 -0.4058 -0.4003 -0.4003 -0.3832 -0.3832 1.3234 1.3234 1.9250 1.9250 1.9708 1.9708 2.2169 2.2169 2.6106 2.6106 3.7308 3.7308 3.7842 3.7842 5.8733 5.8733 6.1688 6.1688 6.2211 6.2211 6.5224 6.5224 7.4402 7.4402 7.7746 7.7746 9.0477 9.0477 9.2071 9.2071 k = 0.0000 0.0000 0.0000 ( 6147 PWs) bands (ev): -7.2240 -7.2240 -4.6149 -4.6149 -4.5961 -4.5961 -4.5876 -4.5876 -3.2887 -3.2887 -0.8927 -0.8927 -0.8868 -0.8868 -0.8129 -0.8129 -0.7885 -0.7885 -0.7307 -0.7307 -0.5835 -0.5835 -0.5413 -0.5413 -0.4609 -0.4609 -0.4058 -0.4058 -0.4003 -0.4003 -0.3832 -0.3832 1.3234 1.3234 1.9250 1.9250 1.9708 1.9708 2.2169 2.2169 2.6106 2.6106 3.7308 3.7308 3.7842 3.7842 5.8733 5.8733 6.1688 6.1688 6.2211 6.2211 6.5224 6.5224 7.4402 7.4402 7.7746 7.7746 9.0477 9.0477 9.2071 9.2071 k = 0.0172 0.0124 0.0000 ( 6147 PWs) bands (ev): -7.2230 -7.2230 -4.6207 -4.6207 -4.5967 -4.5967 -4.5877 -4.5877 -3.2824 -3.2824 -0.8932 -0.8932 -0.8873 -0.8873 -0.8170 -0.8170 -0.7852 -0.7852 -0.7309 -0.7309 -0.5833 -0.5833 -0.5408 -0.5408 -0.4610 -0.4610 -0.4057 -0.4057 -0.4003 -0.4003 -0.3834 -0.3834 1.3233 1.3233 1.9265 1.9265 1.9722 1.9722 2.2190 2.2190 2.6135 2.6135 3.7321 3.7321 3.7856 3.7856 5.8622 5.8622 6.1639 6.1639 6.1723 6.1723 6.5782 6.5782 7.4404 7.4404 7.7774 7.7774 9.0503 9.0503 9.2089 9.2089 k = 0.0345 0.0248 0.0000 ( 6147 PWs) bands (ev): -7.2198 -7.2198 -4.6387 -4.6387 -4.5977 -4.5977 -4.5879 -4.5879 -3.2638 -3.2638 -0.8955 -0.8955 -0.8881 -0.8881 -0.8256 -0.8256 -0.7788 -0.7788 -0.7316 -0.7316 -0.5827 -0.5827 -0.5393 -0.5393 -0.4611 -0.4611 -0.4055 -0.4055 -0.4002 -0.4002 -0.3841 -0.3841 1.3228 1.3228 1.9309 1.9309 1.9764 1.9764 2.2252 2.2252 2.6222 2.6222 3.7361 3.7361 3.7896 3.7896 5.8253 5.8253 6.0816 6.0816 6.1495 6.1495 6.6935 6.6935 7.4412 7.4412 7.7857 7.7857 9.0576 9.0576 9.2138 9.2138 k = 0.0517 0.0372 0.0000 ( 6143 PWs) bands (ev): -7.2145 -7.2145 -4.6682 -4.6682 -4.5984 -4.5984 -4.5884 -4.5884 -3.2339 -3.2339 -0.9011 -0.9011 -0.8885 -0.8885 -0.8347 -0.8347 -0.7723 -0.7723 -0.7328 -0.7328 -0.5817 -0.5817 -0.5371 -0.5371 -0.4613 -0.4613 -0.4053 -0.4053 -0.3997 -0.3997 -0.3851 -0.3851 1.3222 1.3222 1.9384 1.9384 1.9834 1.9834 2.2354 2.2354 2.6366 2.6366 3.7428 3.7428 3.7964 3.7964 5.7545 5.7545 5.9997 5.9997 6.1259 6.1259 6.8260 6.8260 7.4428 7.4428 7.7993 7.7993 9.0680 9.0680 9.2204 9.2204 k = 0.0690 0.0496 0.0000 ( 6135 PWs) bands (ev): -7.2071 -7.2071 -4.7078 -4.7078 -4.5992 -4.5992 -4.5891 -4.5891 -3.1943 -3.1943 -0.9112 -0.9112 -0.8883 -0.8883 -0.8423 -0.8423 -0.7665 -0.7665 -0.7343 -0.7343 -0.5803 -0.5803 -0.5344 -0.5344 -0.4616 -0.4616 -0.4055 -0.4055 -0.3987 -0.3987 -0.3865 -0.3865 1.3217 1.3217 1.9487 1.9487 1.9931 1.9931 2.2496 2.2496 2.6564 2.6564 3.7521 3.7521 3.8058 3.8058 5.6512 5.6512 5.9369 5.9369 6.0938 6.0938 6.9640 6.9640 7.4453 7.4453 7.8179 7.8179 9.0785 9.0785 9.2264 9.2264 k = 0.0862 0.0620 0.0000 ( 6139 PWs) bands (ev): -7.1976 -7.1976 -4.7556 -4.7556 -4.5999 -4.5999 -4.5899 -4.5899 -3.1466 -3.1466 -0.9258 -0.9258 -0.8878 -0.8878 -0.8476 -0.8476 -0.7615 -0.7615 -0.7361 -0.7361 -0.5786 -0.5786 -0.5315 -0.5315 -0.4620 -0.4620 -0.4061 -0.4061 -0.3970 -0.3970 -0.3883 -0.3883 1.3215 1.3215 1.9618 1.9618 2.0056 2.0056 2.2674 2.2674 2.6812 2.6812 3.7639 3.7639 3.8178 3.8178 5.5286 5.5286 5.8845 5.8845 6.0540 6.0540 7.1033 7.1033 7.4491 7.4491 7.8410 7.8410 9.0846 9.0846 9.2283 9.2283 k = 0.1034 0.0744 0.0000 ( 6151 PWs) bands (ev): -7.1860 -7.1860 -4.8102 -4.8102 -4.6008 -4.6008 -4.5909 -4.5909 -3.0925 -3.0925 -0.9444 -0.9444 -0.8871 -0.8871 -0.8508 -0.8508 -0.7574 -0.7574 -0.7381 -0.7381 -0.5765 -0.5765 -0.5287 -0.5287 -0.4625 -0.4625 -0.4071 -0.4071 -0.3947 -0.3947 -0.3903 -0.3903 1.3221 1.3221 1.9778 1.9778 2.0206 2.0206 2.2888 2.2888 2.7108 2.7108 3.7782 3.7782 3.8322 3.8322 5.3974 5.3974 5.8342 5.8342 6.0074 6.0074 7.2415 7.2415 7.4544 7.4544 7.8682 7.8682 9.0788 9.0788 9.2154 9.2155 k = 0.1207 0.0868 0.0000 ( 6167 PWs) bands (ev): -7.1722 -7.1722 -4.8699 -4.8699 -4.6018 -4.6018 -4.5920 -4.5920 -3.0333 -3.0333 -0.9661 -0.9661 -0.8862 -0.8862 -0.8525 -0.8525 -0.7543 -0.7543 -0.7402 -0.7402 -0.5740 -0.5740 -0.5263 -0.5263 -0.4630 -0.4630 -0.4084 -0.4084 -0.3933 -0.3933 -0.3913 -0.3913 1.3238 1.3238 1.9963 1.9963 2.0382 2.0382 2.3133 2.3133 2.7445 2.7445 3.7948 3.7948 3.8491 3.8491 5.2628 5.2628 5.7825 5.7825 5.9549 5.9549 7.3769 7.3769 7.4614 7.4614 7.8990 7.8990 9.0523 9.0523 9.1673 9.1673 k = 0.1379 0.0992 0.0000 ( 6183 PWs) bands (ev): -7.1564 -7.1564 -4.9337 -4.9337 -4.6029 -4.6029 -4.5933 -4.5933 -2.9704 -2.9704 -0.9902 -0.9902 -0.8852 -0.8852 -0.8531 -0.8531 -0.7521 -0.7521 -0.7421 -0.7421 -0.5711 -0.5711 -0.5243 -0.5243 -0.4635 -0.4635 -0.4099 -0.4099 -0.3958 -0.3958 -0.3884 -0.3884 1.3270 1.3270 2.0174 2.0174 2.0582 2.0582 2.3407 2.3407 2.7821 2.7821 3.8136 3.8136 3.8682 3.8682 5.1273 5.1273 5.7282 5.7282 5.8976 5.8976 7.4697 7.4697 7.5081 7.5081 7.9329 7.9329 9.0044 9.0044 9.1213 9.1213 k = 0.1552 0.1116 0.0000 ( 6191 PWs) bands (ev): -7.1385 -7.1385 -5.0006 -5.0006 -4.6040 -4.6040 -4.5947 -4.5947 -2.9048 -2.9048 -1.0161 -1.0161 -0.8840 -0.8840 -0.8530 -0.8530 -0.7516 -0.7516 -0.7434 -0.7434 -0.5679 -0.5679 -0.5228 -0.5228 -0.4639 -0.4639 -0.4115 -0.4115 -0.3987 -0.3987 -0.3850 -0.3850 1.3321 1.3321 2.0410 2.0410 2.0806 2.0806 2.3706 2.3706 2.8229 2.8229 3.8345 3.8345 3.8893 3.8893 4.9923 4.9923 5.6713 5.6713 5.8364 5.8364 7.4808 7.4808 7.6311 7.6311 7.9690 7.9690 8.9466 8.9466 9.0689 9.0689 k = 0.1724 0.1240 0.0000 ( 6175 PWs) bands (ev): -7.1185 -7.1185 -5.0698 -5.0698 -4.6053 -4.6053 -4.5962 -4.5962 -2.8373 -2.8373 -1.0434 -1.0434 -0.8826 -0.8826 -0.8524 -0.8524 -0.7527 -0.7527 -0.7435 -0.7435 -0.5644 -0.5644 -0.5218 -0.5218 -0.4644 -0.4644 -0.4133 -0.4133 -0.4018 -0.4018 -0.3814 -0.3814 1.3394 1.3394 2.0667 2.0667 2.1050 2.1050 2.4024 2.4024 2.8666 2.8666 3.8572 3.8572 3.9124 3.9124 4.8588 4.8588 5.6122 5.6122 5.7723 5.7723 7.4936 7.4936 7.7432 7.7432 8.0068 8.0068 8.8902 8.8902 9.0027 9.0027 k = 0.1897 0.1364 0.0000 ( 6167 PWs) bands (ev): -7.0964 -7.0964 -5.1406 -5.1406 -4.6066 -4.6066 -4.5978 -4.5978 -2.7687 -2.7687 -1.0720 -1.0720 -0.8811 -0.8811 -0.8513 -0.8513 -0.7551 -0.7551 -0.7432 -0.7432 -0.5607 -0.5607 -0.5212 -0.5212 -0.4647 -0.4647 -0.4153 -0.4153 -0.4050 -0.4050 -0.3778 -0.3778 1.3493 1.3493 2.0945 2.0945 2.1315 2.1315 2.4357 2.4357 2.9125 2.9125 3.8815 3.8815 3.9370 3.9370 4.7275 4.7275 5.5513 5.5513 5.7062 5.7062 7.5084 7.5084 7.8391 7.8391 8.0451 8.0451 8.8427 8.8427 8.9228 8.9228 k = 0.2069 0.1488 0.0000 ( 6183 PWs) bands (ev): -7.0723 -7.0723 -5.2125 -5.2125 -4.6079 -4.6079 -4.5995 -4.5995 -2.6997 -2.6997 -1.1015 -1.1015 -0.8795 -0.8795 -0.8500 -0.8500 -0.7581 -0.7581 -0.7430 -0.7430 -0.5569 -0.5569 -0.5208 -0.5208 -0.4651 -0.4651 -0.4174 -0.4174 -0.4082 -0.4082 -0.3744 -0.3744 1.3622 1.3622 2.1242 2.1242 2.1597 2.1597 2.4698 2.4698 2.9602 2.9602 3.9072 3.9072 3.9630 3.9630 4.5991 4.5991 5.4894 5.4894 5.6388 5.6388 7.5251 7.5251 7.9120 7.9120 8.0826 8.0826 8.8017 8.8017 8.8365 8.8365 k = 0.2241 0.1612 0.0000 ( 6187 PWs) bands (ev): -7.0461 -7.0461 -5.2850 -5.2850 -4.6093 -4.6093 -4.6013 -4.6013 -2.6306 -2.6306 -1.1320 -1.1320 -0.8778 -0.8778 -0.8483 -0.8483 -0.7614 -0.7614 -0.7431 -0.7431 -0.5531 -0.5531 -0.5205 -0.5205 -0.4653 -0.4653 -0.4195 -0.4195 -0.4114 -0.4114 -0.3713 -0.3713 1.3783 1.3783 2.1556 2.1556 2.1895 2.1895 2.5038 2.5038 3.0091 3.0091 3.9339 3.9339 3.9900 3.9900 4.4744 4.4744 5.4271 5.4271 5.5711 5.5711 7.5433 7.5433 7.9556 7.9556 8.1173 8.1173 8.7199 8.7199 8.7453 8.7453 k = 0.2414 0.1736 0.0000 ( 6187 PWs) bands (ev): -7.0179 -7.0179 -5.3579 -5.3579 -4.6107 -4.6107 -4.6030 -4.6030 -2.5619 -2.5619 -1.1632 -1.1632 -0.8759 -0.8759 -0.8464 -0.8464 -0.7650 -0.7650 -0.7437 -0.7437 -0.5496 -0.5496 -0.5199 -0.5199 -0.4654 -0.4654 -0.4217 -0.4217 -0.4145 -0.4145 -0.3685 -0.3685 1.3979 1.3979 2.1883 2.1883 2.2207 2.2207 2.5370 2.5370 3.0588 3.0588 3.9614 3.9614 4.0173 4.0173 4.3542 4.3542 5.3652 5.3652 5.5038 5.5038 7.5628 7.5628 7.9677 7.9677 8.1467 8.1467 8.6161 8.6161 8.6389 8.6389 k = 0.2586 0.1860 0.0000 ( 6186 PWs) bands (ev): -6.9877 -6.9877 -5.4308 -5.4308 -4.6121 -4.6121 -4.6048 -4.6048 -2.4940 -2.4940 -1.1950 -1.1950 -0.8739 -0.8739 -0.8443 -0.8443 -0.7687 -0.7687 -0.7448 -0.7448 -0.5466 -0.5466 -0.5190 -0.5190 -0.4654 -0.4654 -0.4239 -0.4239 -0.4174 -0.4174 -0.3662 -0.3662 1.4212 1.4212 2.2222 2.2222 2.2529 2.2529 2.5681 2.5681 3.1087 3.1087 3.9891 3.9891 4.0440 4.0440 4.2400 4.2400 5.3045 5.3045 5.4377 5.4377 7.5827 7.5827 7.9521 7.9521 8.1677 8.1677 8.5087 8.5087 8.5294 8.5294 k = 0.2759 0.1984 0.0000 ( 6194 PWs) bands (ev): -6.9554 -6.9554 -5.5034 -5.5034 -4.6134 -4.6134 -4.6066 -4.6066 -2.4272 -2.4272 -1.2275 -1.2275 -0.8718 -0.8718 -0.8419 -0.8419 -0.7726 -0.7726 -0.7463 -0.7463 -0.5442 -0.5442 -0.5177 -0.5177 -0.4652 -0.4652 -0.4261 -0.4261 -0.4200 -0.4200 -0.3643 -0.3643 1.4484 1.4484 2.2568 2.2568 2.2858 2.2858 2.5960 2.5960 3.1584 3.1584 4.0167 4.0167 4.0644 4.0644 4.1382 4.1382 5.2456 5.2456 5.3734 5.3734 7.6022 7.6022 7.9163 7.9163 8.1773 8.1773 8.4010 8.4010 8.4202 8.4202 k = 0.2931 0.2108 0.0000 ( 6194 PWs) bands (ev): -6.9212 -6.9212 -5.5756 -5.5756 -4.6148 -4.6148 -4.6084 -4.6084 -2.3616 -2.3616 -1.2606 -1.2606 -0.8695 -0.8695 -0.8393 -0.8393 -0.7766 -0.7766 -0.7483 -0.7483 -0.5425 -0.5425 -0.5159 -0.5159 -0.4647 -0.4647 -0.4282 -0.4282 -0.4222 -0.4222 -0.3630 -0.3630 1.4797 1.4797 2.2920 2.2920 2.3192 2.3192 2.6189 2.6189 3.2072 3.2072 4.0160 4.0160 4.0442 4.0442 4.1112 4.1112 5.1895 5.1895 5.3118 5.3118 7.6197 7.6197 7.8682 7.8682 8.1744 8.1744 8.2952 8.2952 8.3132 8.3132 k = 0.3103 0.2232 0.0000 ( 6198 PWs) bands (ev): -6.8849 -6.8849 -5.6473 -5.6473 -4.6160 -4.6160 -4.6102 -4.6102 -2.2976 -2.2976 -1.2942 -1.2942 -0.8670 -0.8670 -0.8366 -0.8366 -0.7807 -0.7807 -0.7507 -0.7507 -0.5414 -0.5414 -0.5140 -0.5140 -0.4639 -0.4639 -0.4301 -0.4301 -0.4239 -0.4239 -0.3622 -0.3622 1.5152 1.5152 2.3272 2.3272 2.3525 2.3525 2.6352 2.6352 3.2547 3.2547 3.9277 3.9277 4.0698 4.0698 4.1322 4.1322 5.1370 5.1370 5.2535 5.2535 7.6327 7.6327 7.8137 7.8137 8.1595 8.1595 8.1935 8.1935 8.2108 8.2108 k = 0.3276 0.2356 0.0000 ( 6206 PWs) bands (ev): -6.8468 -6.8468 -5.7181 -5.7181 -4.6172 -4.6172 -4.6118 -4.6118 -2.2352 -2.2352 -1.3284 -1.3284 -0.8644 -0.8644 -0.8337 -0.8337 -0.7849 -0.7849 -0.7536 -0.7536 -0.5406 -0.5406 -0.5124 -0.5124 -0.4628 -0.4628 -0.4319 -0.4319 -0.4249 -0.4249 -0.3619 -0.3619 1.5550 1.5550 2.3621 2.3621 2.3854 2.3854 2.6429 2.6429 3.3004 3.3004 3.8462 3.8462 4.0941 4.0941 4.1545 4.1545 5.0888 5.0888 5.1992 5.1992 7.6385 7.6385 7.7571 7.7571 8.0929 8.0929 8.1071 8.1071 8.1506 8.1506 k = 0.3448 0.2480 0.0000 ( 6218 PWs) bands (ev): -6.8066 -6.8066 -5.7881 -5.7881 -4.6183 -4.6183 -4.6134 -4.6134 -2.1746 -2.1746 -1.3632 -1.3632 -0.8616 -0.8616 -0.8306 -0.8306 -0.7892 -0.7892 -0.7568 -0.7568 -0.5400 -0.5400 -0.5113 -0.5113 -0.4614 -0.4614 -0.4337 -0.4337 -0.4250 -0.4250 -0.3623 -0.3623 1.5990 1.5990 2.3962 2.3962 2.4174 2.4174 2.6403 2.6403 3.3437 3.3437 3.7759 3.7759 4.1162 4.1162 4.1746 4.1746 5.0459 5.0459 5.1494 5.1494 7.6334 7.6334 7.7017 7.7017 8.0011 8.0011 8.0150 8.0150 8.1369 8.1369 k = 0.3621 0.2604 0.0000 ( 6206 PWs) bands (ev): -6.7646 -6.7646 -5.8571 -5.8571 -4.6193 -4.6193 -4.6149 -4.6149 -2.1159 -2.1159 -1.3986 -1.3986 -0.8587 -0.8587 -0.8273 -0.8273 -0.7936 -0.7936 -0.7604 -0.7604 -0.5393 -0.5393 -0.5110 -0.5110 -0.4597 -0.4597 -0.4354 -0.4354 -0.4240 -0.4240 -0.3632 -0.3632 1.6473 1.6473 2.4288 2.4288 2.4480 2.4480 2.6259 2.6259 3.3842 3.3842 3.7183 3.7183 4.1357 4.1357 4.1914 4.1914 5.0090 5.0090 5.1047 5.1047 7.6145 7.6145 7.6511 7.6511 7.9154 7.9154 7.9283 7.9283 8.1359 8.1359 k = 0.3793 0.2728 0.0000 ( 6202 PWs) bands (ev): -6.7206 -6.7206 -5.9250 -5.9250 -4.6202 -4.6202 -4.6164 -4.6164 -2.0591 -2.0591 -1.4346 -1.4346 -0.8556 -0.8556 -0.8239 -0.8239 -0.7979 -0.7979 -0.7643 -0.7643 -0.5384 -0.5384 -0.5115 -0.5115 -0.4581 -0.4581 -0.4372 -0.4372 -0.4219 -0.4219 -0.3647 -0.3647 1.6997 1.6997 2.4591 2.4591 2.4762 2.4762 2.5998 2.5998 3.4215 3.4215 3.6737 3.6737 4.1524 4.1524 4.2044 4.2044 4.9785 4.9785 5.0655 5.0655 7.5806 7.5806 7.6092 7.6092 7.8373 7.8373 7.8490 7.8490 8.1488 8.1488 k = 0.3966 0.2852 0.0000 ( 6210 PWs) bands (ev): -6.6748 -6.6748 -5.9916 -5.9916 -4.6210 -4.6210 -4.6176 -4.6176 -2.0041 -2.0041 -1.4714 -1.4714 -0.8523 -0.8523 -0.8204 -0.8204 -0.8023 -0.8023 -0.7684 -0.7684 -0.5374 -0.5374 -0.5127 -0.5127 -0.4565 -0.4565 -0.4390 -0.4390 -0.4187 -0.4187 -0.3668 -0.3668 1.7561 1.7561 2.4846 2.4846 2.5011 2.5011 2.5650 2.5650 3.4551 3.4551 3.6413 3.6413 4.1662 4.1662 4.2133 4.2133 4.9548 4.9548 5.0318 5.0318 7.5402 7.5402 7.5720 7.5720 7.7675 7.7675 7.7780 7.7780 8.1751 8.1751 k = 0.4138 0.2976 0.0000 ( 6214 PWs) bands (ev): -6.6272 -6.6272 -6.0570 -6.0570 -4.6216 -4.6216 -4.6188 -4.6188 -1.9511 -1.9511 -1.5090 -1.5090 -0.8488 -0.8488 -0.8170 -0.8170 -0.8064 -0.8064 -0.7726 -0.7726 -0.5361 -0.5361 -0.5144 -0.5144 -0.4550 -0.4550 -0.4407 -0.4407 -0.4147 -0.4147 -0.3694 -0.3694 1.8164 1.8164 2.4852 2.4852 2.5214 2.5214 2.5429 2.5429 3.4848 3.4848 3.6190 3.6190 4.1772 4.1772 4.2181 4.2181 4.9376 4.9376 5.0035 5.0035 7.5025 7.5025 7.5357 7.5357 7.7070 7.7070 7.7161 7.7161 8.2126 8.2126 k = 0.4310 0.3100 0.0000 ( 6202 PWs) bands (ev): -6.5777 -6.5777 -6.1210 -6.1210 -4.6221 -4.6221 -4.6198 -4.6198 -1.8999 -1.8999 -1.5475 -1.5475 -0.8452 -0.8452 -0.8148 -0.8148 -0.8090 -0.8090 -0.7770 -0.7770 -0.5346 -0.5346 -0.5164 -0.5164 -0.4536 -0.4536 -0.4423 -0.4423 -0.4100 -0.4100 -0.3725 -0.3725 1.8801 1.8801 2.4379 2.4379 2.5414 2.5414 2.5534 2.5534 3.5103 3.5103 3.6044 3.6044 4.1857 4.1857 4.2196 4.2196 4.9266 4.9266 4.9804 4.9804 7.4709 7.4709 7.5015 7.5015 7.6565 7.6565 7.6641 7.6641 8.2592 8.2592 k = 0.4483 0.3224 0.0000 ( 6194 PWs) bands (ev): -6.5265 -6.5265 -6.1837 -6.1837 -4.6224 -4.6224 -4.6207 -4.6207 -1.8506 -1.8506 -1.5870 -1.5870 -0.8414 -0.8414 -0.8170 -0.8170 -0.8071 -0.8071 -0.7815 -0.7815 -0.5328 -0.5328 -0.5188 -0.5188 -0.4523 -0.4523 -0.4439 -0.4439 -0.4049 -0.4049 -0.3761 -0.3761 1.9470 1.9470 2.3748 2.3748 2.5590 2.5590 2.5675 2.5675 3.5317 3.5317 3.5949 3.5949 4.1924 4.1924 4.2184 4.2184 4.9208 4.9208 4.9618 4.9618 7.4464 7.4464 7.4715 7.4715 7.6167 7.6167 7.6226 7.6226 8.3130 8.3130 k = 0.4655 0.3348 0.0000 ( 6190 PWs) bands (ev): -6.4735 -6.4735 -6.2448 -6.2448 -4.6225 -4.6225 -4.6214 -4.6214 -1.8029 -1.8029 -1.6276 -1.6276 -0.8375 -0.8375 -0.8210 -0.8210 -0.8034 -0.8034 -0.7859 -0.7859 -0.5308 -0.5308 -0.5212 -0.5212 -0.4510 -0.4510 -0.4455 -0.4455 -0.3997 -0.3997 -0.3802 -0.3802 2.0166 2.0166 2.3059 2.3059 2.5726 2.5726 2.5781 2.5781 3.5491 3.5491 3.5877 3.5877 4.1978 4.1978 4.2154 4.2154 4.9195 4.9195 4.9471 4.9471 7.4299 7.4299 7.4475 7.4475 7.5882 7.5882 7.5922 7.5922 8.3729 8.3729 k = 0.4828 0.3472 0.0000 ( 6182 PWs) bands (ev): -6.4188 -6.4188 -6.3044 -6.3044 -4.6225 -4.6225 -4.6219 -4.6219 -1.7569 -1.7569 -1.6693 -1.6693 -0.8335 -0.8335 -0.8252 -0.8252 -0.7992 -0.7992 -0.7904 -0.7904 -0.5286 -0.5286 -0.5237 -0.5237 -0.4497 -0.4497 -0.4470 -0.4470 -0.3945 -0.3945 -0.3846 -0.3846 2.0881 2.0881 2.2340 2.2340 2.5815 2.5815 2.5843 2.5843 3.5627 3.5627 3.5810 3.5810 4.2026 4.2026 4.2115 4.2115 4.9219 4.9219 4.9358 4.9358 7.4217 7.4217 7.4307 7.4307 7.5713 7.5713 7.5734 7.5734 8.4379 8.4379 k = 0.5000 0.3596 0.0000 ( 6182 PWs) bands (ev): -6.3624 -6.3624 -6.3624 -6.3624 -4.6223 -4.6223 -4.6223 -4.6223 -1.7124 -1.7124 -1.7124 -1.7124 -0.8294 -0.8294 -0.8294 -0.8294 -0.7948 -0.7948 -0.7948 -0.7948 -0.5262 -0.5262 -0.5262 -0.5262 -0.4484 -0.4484 -0.4484 -0.4484 -0.3895 -0.3895 -0.3895 -0.3895 2.1609 2.1609 2.1609 2.1609 2.5854 2.5854 2.5854 2.5854 3.5731 3.5731 3.5731 3.5731 4.2071 4.2071 4.2071 4.2071 4.9274 4.9274 4.9274 4.9274 7.4220 7.4220 7.4220 7.4220 7.5664 7.5664 7.5664 7.5664 8.5075 8.5075 k = 0.5000 0.3596 0.0000 ( 6182 PWs) bands (ev): -6.3624 -6.3624 -6.3624 -6.3624 -4.6223 -4.6223 -4.6223 -4.6223 -1.7124 -1.7124 -1.7124 -1.7124 -0.8294 -0.8294 -0.8294 -0.8294 -0.7948 -0.7948 -0.7948 -0.7948 -0.5262 -0.5262 -0.5262 -0.5262 -0.4484 -0.4484 -0.4484 -0.4484 -0.3895 -0.3895 -0.3895 -0.3895 2.1609 2.1609 2.1609 2.1609 2.5854 2.5854 2.5854 2.5854 3.5731 3.5731 3.5731 3.5731 4.2071 4.2071 4.2071 4.2071 4.9274 4.9274 4.9274 4.9274 7.4220 7.4220 7.4220 7.4220 7.5664 7.5664 7.5664 7.5664 8.5075 8.5075 k = 0.4912 0.3719 0.0151 ( 6182 PWs) bands (ev): -6.3622 -6.3621 -6.3615 -6.3614 -4.6248 -4.6248 -4.6225 -4.6219 -1.7139 -1.7120 -1.7106 -1.7101 -0.8335 -0.8330 -0.8258 -0.8253 -0.8033 -0.7996 -0.7894 -0.7857 -0.5309 -0.5277 -0.5244 -0.5220 -0.4552 -0.4485 -0.4483 -0.4407 -0.3952 -0.3913 -0.3876 -0.3811 2.1536 2.1575 2.1583 2.1619 2.5832 2.5842 2.5871 2.5898 3.5671 3.5687 3.5727 3.5766 4.2005 4.2032 4.2123 4.2140 4.9211 4.9247 4.9278 4.9292 7.4086 7.4157 7.4268 7.4282 7.5690 7.5729 7.5758 7.5859 8.5111 8.5127 k = 0.4823 0.3841 0.0302 ( 6182 PWs) bands (ev): -6.3614 -6.3614 -6.3589 -6.3586 -4.6323 -4.6322 -4.6225 -4.6214 -1.7161 -1.7123 -1.7052 -1.7043 -0.8376 -0.8366 -0.8226 -0.8215 -0.8107 -0.8035 -0.7833 -0.7760 -0.5359 -0.5289 -0.5225 -0.5184 -0.4609 -0.4489 -0.4484 -0.4337 -0.3978 -0.3922 -0.3861 -0.3705 2.1402 2.1480 2.1497 2.1565 2.5803 2.5817 2.5920 2.5976 3.5539 3.5566 3.5725 3.5810 4.1883 4.1940 4.2245 4.2273 4.9063 4.9133 4.9303 4.9331 7.3855 7.3954 7.4423 7.4450 7.5812 7.5889 7.6081 7.6239 8.5248 8.5297 k = 0.4735 0.3964 0.0454 ( 6188 PWs) bands (ev): -6.3602 -6.3602 -6.3544 -6.3540 -4.6446 -4.6444 -4.6224 -4.6208 -1.7191 -1.7134 -1.6962 -1.6948 -0.8419 -0.8402 -0.8213 -0.8181 -0.8155 -0.8064 -0.7767 -0.7659 -0.5410 -0.5298 -0.5204 -0.5155 -0.4656 -0.4494 -0.4486 -0.4299 -0.3993 -0.3875 -0.3848 -0.3576 2.1216 2.1329 2.1354 2.1451 2.5758 2.5775 2.6008 2.6087 3.5331 3.5370 3.5734 3.5866 4.1695 4.1781 4.2441 4.2479 4.8831 4.8937 4.9350 4.9394 7.3615 7.3716 7.4683 7.4722 7.6026 7.6142 7.6523 7.6711 8.5486 8.5564 k = 0.4647 0.4087 0.0605 ( 6188 PWs) bands (ev): -6.3586 -6.3586 -6.3482 -6.3476 -4.6613 -4.6611 -4.6221 -4.6199 -1.7230 -1.7155 -1.6840 -1.6822 -0.8462 -0.8435 -0.8255 -0.8161 -0.8142 -0.8072 -0.7695 -0.7556 -0.5461 -0.5304 -0.5183 -0.5130 -0.4694 -0.4501 -0.4488 -0.4298 -0.4018 -0.3838 -0.3742 -0.3422 2.0987 2.1126 2.1159 2.1283 2.5695 2.5715 2.6129 2.6223 3.5055 3.5109 3.5753 3.5933 4.1441 4.1555 4.2704 4.2749 4.8522 4.8663 4.9421 4.9483 7.3401 7.3496 7.5044 7.5094 7.6331 7.6487 7.7025 7.7234 8.5828 8.5932 k = 0.4559 0.4209 0.0756 ( 6180 PWs) bands (ev): -6.3567 -6.3566 -6.3401 -6.3394 -4.6822 -4.6819 -4.6216 -4.6190 -1.7278 -1.7186 -1.6689 -1.6666 -0.8506 -0.8467 -0.8307 -0.8165 -0.8115 -0.8050 -0.7618 -0.7452 -0.5509 -0.5307 -0.5165 -0.5108 -0.4725 -0.4510 -0.4491 -0.4314 -0.4047 -0.3831 -0.3548 -0.3240 2.0724 2.0879 2.0919 2.1071 2.5613 2.5637 2.6277 2.6379 3.4721 3.4791 3.5781 3.6011 4.1123 4.1266 4.3025 4.3072 4.8145 4.8319 4.9520 4.9600 7.3227 7.3312 7.5499 7.5557 7.6723 7.6919 7.7562 7.7783 8.6274 8.6406 k = 0.4470 0.4332 0.0907 ( 6178 PWs) bands (ev): -6.3545 -6.3544 -6.3302 -6.3295 -4.7068 -4.7064 -4.6211 -4.6179 -1.7335 -1.7227 -1.6514 -1.6487 -0.8550 -0.8497 -0.8353 -0.8179 -0.8089 -0.8013 -0.7539 -0.7351 -0.5555 -0.5307 -0.5152 -0.5086 -0.4751 -0.4522 -0.4494 -0.4334 -0.4079 -0.3826 -0.3307 -0.3026 2.0435 2.0595 2.0640 2.0823 2.5513 2.5538 2.6446 2.6550 3.4340 3.4427 3.5818 3.6098 4.0745 4.0915 4.3391 4.3439 4.7708 4.7916 4.9648 4.9747 7.3097 7.3172 7.6041 7.6105 7.7197 7.7434 7.8117 7.8347 8.6827 8.6985 k = 0.4382 0.4455 0.1058 ( 6166 PWs) bands (ev): -6.3521 -6.3520 -6.3186 -6.3177 -4.7346 -4.7342 -4.6203 -4.6166 -1.7402 -1.7279 -1.6320 -1.6290 -0.8593 -0.8526 -0.8394 -0.8191 -0.8065 -0.7971 -0.7458 -0.7253 -0.5598 -0.5305 -0.5147 -0.5063 -0.4773 -0.4536 -0.4496 -0.4353 -0.4110 -0.3823 -0.3025 -0.2778 2.0128 2.0281 2.0330 2.0547 2.5394 2.5420 2.6630 2.6729 3.3920 3.4024 3.5863 3.6193 4.0311 4.0508 4.3794 4.3837 4.7225 4.7464 4.9807 4.9927 7.3012 7.3075 7.6660 7.6727 7.7747 7.8026 7.8685 7.8918 8.7485 8.7669 k = 0.4294 0.4578 0.1209 ( 6174 PWs) bands (ev): -6.3497 -6.3496 -6.3052 -6.3041 -4.7651 -4.7645 -4.6195 -4.6153 -1.7479 -1.7343 -1.6113 -1.6079 -0.8635 -0.8553 -0.8432 -0.8200 -0.8045 -0.7928 -0.7377 -0.7161 -0.5636 -0.5301 -0.5150 -0.5037 -0.4792 -0.4554 -0.4498 -0.4369 -0.4141 -0.3822 -0.2704 -0.2494 1.9810 1.9944 1.9996 2.0252 2.5255 2.5280 2.6824 2.6914 3.3470 3.3591 3.5917 3.6297 3.9825 4.0048 4.4222 4.4254 4.6709 4.6976 4.9998 5.0138 7.2971 7.3023 7.7346 7.7413 7.8358 7.8680 7.9266 7.9497 8.8246 8.8456 k = 0.4206 0.4700 0.1361 ( 6182 PWs) bands (ev): -6.3474 -6.3474 -6.2900 -6.2889 -4.7976 -4.7970 -4.6185 -4.6139 -1.7568 -1.7420 -1.5897 -1.5859 -0.8674 -0.8579 -0.8465 -0.8205 -0.8028 -0.7884 -0.7297 -0.7076 -0.5671 -0.5295 -0.5161 -0.5011 -0.4810 -0.4575 -0.4498 -0.4380 -0.4170 -0.3822 -0.2347 -0.2174 1.9486 1.9592 1.9648 1.9946 2.5096 2.5118 2.7024 2.7100 3.2997 3.3136 3.5982 3.6409 3.9292 3.9541 4.4659 4.4664 4.6190 4.6469 5.0221 5.0381 7.2971 7.3011 7.8088 7.8151 7.9010 7.9372 7.9869 8.0097 8.9103 8.9341 k = 0.4117 0.4823 0.1512 ( 6182 PWs) bands (ev): -6.3454 -6.3454 -6.2731 -6.2718 -4.8316 -4.8309 -4.6175 -4.6123 -1.7669 -1.7511 -1.5677 -1.5635 -0.8711 -0.8605 -0.8496 -0.8205 -0.8015 -0.7839 -0.7219 -0.7000 -0.5701 -0.5288 -0.5178 -0.4984 -0.4825 -0.4598 -0.4496 -0.4386 -0.4196 -0.3823 -0.1954 -0.1817 1.9163 1.9234 1.9295 1.9633 2.4916 2.4933 2.7226 2.7285 3.2509 3.2664 3.6060 3.6532 3.8719 3.8994 4.4948 4.5060 4.5788 4.5994 5.0473 5.0652 7.3010 7.3038 7.8871 7.8928 7.9669 8.0055 8.0519 8.0756 9.0051 9.0318 k = 0.4029 0.4946 0.1663 ( 6190 PWs) bands (ev): -6.3439 -6.3439 -6.2545 -6.2531 -4.8665 -4.8656 -4.6163 -4.6107 -1.7783 -1.7616 -1.5457 -1.5412 -0.8745 -0.8629 -0.8525 -0.8201 -0.8007 -0.7796 -0.7145 -0.6933 -0.5726 -0.5282 -0.5200 -0.4959 -0.4839 -0.4625 -0.4494 -0.4386 -0.4219 -0.3823 -0.1531 -0.1426 1.8843 1.8878 1.8944 1.9321 2.4717 2.4725 2.7427 2.7465 3.2012 3.2181 3.6154 3.6665 3.8110 3.8412 4.4726 4.5109 4.5868 4.5889 5.0751 5.0949 7.3084 7.3101 7.9681 7.9727 8.0293 8.0674 8.1247 8.1517 9.1079 9.1379 k = 0.3941 0.5069 0.1814 ( 6198 PWs) bands (ev): -6.3431 -6.3431 -6.2342 -6.2326 -4.9016 -4.9007 -4.6151 -4.6090 -1.7911 -1.7737 -1.5239 -1.5192 -0.8775 -0.8653 -0.8551 -0.8191 -0.8004 -0.7753 -0.7075 -0.6875 -0.5748 -0.5275 -0.5225 -0.4935 -0.4851 -0.4654 -0.4494 -0.4379 -0.4237 -0.3823 -0.1082 -0.1005 1.8530 1.8532 1.8607 1.9012 2.4495 2.4498 2.7623 2.7636 3.1511 3.1694 3.6264 3.6804 3.7473 3.7808 4.4208 4.4669 4.6234 4.6286 5.1052 5.1266 7.3191 7.3195 8.0497 8.0532 8.0865 8.1221 8.2063 8.2378 9.2177 9.2515 k = 0.3853 0.5191 0.1965 ( 6202 PWs) bands (ev): -6.3433 -6.3433 -6.2122 -6.2105 -4.9364 -4.9353 -4.6138 -4.6073 -1.8054 -1.7874 -1.5027 -1.4977 -0.8803 -0.8677 -0.8576 -0.8177 -0.8005 -0.7712 -0.7010 -0.6826 -0.5764 -0.5271 -0.5253 -0.4912 -0.4862 -0.4685 -0.4495 -0.4364 -0.4251 -0.3822 -0.0613 -0.0561 1.8207 1.8227 1.8294 1.8711 2.4243 2.4261 2.7793 2.7810 3.1012 3.1207 3.6382 3.6825 3.6880 3.7258 4.3647 4.4150 4.6685 4.6731 5.1371 5.1598 7.3318 7.3327 8.1265 8.1321 8.1423 8.1718 8.2948 8.3305 9.3334 9.3669 k = 0.3764 0.5314 0.2116 ( 6196 PWs) bands (ev): -6.3447 -6.3446 -6.1885 -6.1867 -4.9703 -4.9691 -4.6125 -4.6055 -1.8212 -1.8029 -1.4823 -1.4770 -0.8827 -0.8699 -0.8599 -0.8160 -0.8012 -0.7672 -0.6951 -0.6784 -0.5777 -0.5281 -0.5269 -0.4891 -0.4871 -0.4716 -0.4498 -0.4343 -0.4258 -0.3820 -0.0132 -0.0101 1.7912 1.7940 1.8010 1.8421 2.3973 2.4008 2.7932 2.7983 3.0521 3.0725 3.6086 3.6424 3.6594 3.7238 4.3091 4.3636 4.7142 4.7179 5.1700 5.1939 7.3465 7.3489 8.1812 8.2055 8.2128 8.2195 8.3876 8.4269 9.4532 9.4572 k = 0.3676 0.5437 0.2268 ( 6192 PWs) bands (ev): -6.3476 -6.3475 -6.1632 -6.1613 -5.0027 -5.0013 -4.6111 -4.6038 -1.8386 -1.8202 -1.4627 -1.4572 -0.8849 -0.8722 -0.8620 -0.8138 -0.8023 -0.7634 -0.6898 -0.6751 -0.5785 -0.5308 -0.5272 -0.4877 -0.4873 -0.4748 -0.4499 -0.4323 -0.4256 -0.3818 0.0350 0.0364 1.7658 1.7677 1.7762 1.8144 2.3686 2.3742 2.8044 2.8136 3.0043 3.0253 3.5400 3.5765 3.6763 3.7423 4.2561 4.3147 4.7590 4.7617 5.2034 5.2281 7.3633 7.3673 8.2258 8.2569 8.2796 8.2841 8.4827 8.5248 9.5379 9.5735 k = 0.3588 0.5559 0.2419 ( 6192 PWs) bands (ev): -6.3522 -6.3521 -6.1363 -6.1343 -5.0330 -5.0314 -4.6098 -4.6020 -1.8577 -1.8393 -1.4441 -1.4383 -0.8869 -0.8743 -0.8639 -0.8114 -0.8040 -0.7599 -0.6852 -0.6724 -0.5789 -0.5333 -0.5279 -0.4880 -0.4858 -0.4779 -0.4499 -0.4311 -0.4238 -0.3814 0.0823 0.0824 1.7435 1.7456 1.7564 1.7882 2.3387 2.3465 2.8121 2.8263 2.9587 2.9795 3.4691 3.5080 3.6969 3.7639 4.2074 4.2696 4.8019 4.8036 5.2366 5.2619 7.3819 7.3876 8.2661 8.2962 8.3398 8.3478 8.5778 8.6220 9.6120 9.6692 k = 0.3500 0.5682 0.2570 ( 6168 PWs) bands (ev): -6.3589 -6.3586 -6.1079 -6.1057 -5.0607 -5.0590 -4.6084 -4.6002 -1.8786 -1.8604 -1.4264 -1.4204 -0.8886 -0.8763 -0.8656 -0.8087 -0.8062 -0.7566 -0.6813 -0.6702 -0.5789 -0.5354 -0.5292 -0.4879 -0.4848 -0.4807 -0.4494 -0.4305 -0.4206 -0.3809 0.1265 0.1273 1.7211 1.7313 1.7433 1.7642 2.3078 2.3182 2.8146 2.8355 2.9167 2.9357 3.3973 3.4385 3.7201 3.7872 4.1643 4.2297 4.8423 4.8429 5.2689 5.2945 7.4017 7.4093 8.3026 8.3313 8.3899 8.4008 8.6711 8.7167 9.6839 9.7420 k = 0.3411 0.5805 0.2721 ( 6174 PWs) bands (ev): -6.3678 -6.3675 -6.0779 -6.0756 -5.0855 -5.0836 -4.6070 -4.5985 -1.9014 -1.8835 -1.4096 -1.4035 -0.8903 -0.8782 -0.8672 -0.8088 -0.8060 -0.7535 -0.6780 -0.6687 -0.5786 -0.5371 -0.5310 -0.4875 -0.4842 -0.4834 -0.4485 -0.4300 -0.4169 -0.3805 0.1674 0.1687 1.7004 1.7218 1.7383 1.7447 2.2765 2.2896 2.8089 2.8397 2.8810 2.8952 3.3252 3.3685 3.7454 3.8112 4.1288 4.1959 4.8790 4.8796 5.2996 5.3251 7.4224 7.4320 8.3352 8.3624 8.4281 8.4416 8.7610 8.8072 9.7589 9.8170 k = 0.3323 0.5928 0.2872 ( 6174 PWs) bands (ev): -6.3791 -6.3787 -6.0465 -6.0440 -5.1069 -5.1048 -4.6057 -4.5969 -1.9260 -1.9085 -1.3938 -1.3874 -0.8917 -0.8801 -0.8684 -0.8117 -0.8031 -0.7507 -0.6753 -0.6676 -0.5780 -0.5383 -0.5334 -0.4872 -0.4853 -0.4843 -0.4473 -0.4292 -0.4128 -0.3799 0.2038 0.2052 1.6814 1.7087 1.7393 1.7424 2.2453 2.2612 2.7907 2.8330 2.8560 2.8633 3.2531 3.2986 3.7726 3.8343 4.1031 4.1692 4.9113 4.9131 5.3279 5.3531 7.4435 7.4554 8.3638 8.3893 8.4542 8.4698 8.8460 8.8920 9.8407 9.8997 k = 0.3235 0.6050 0.3023 ( 6170 PWs) bands (ev): -6.3930 -6.3926 -6.0135 -6.0110 -5.1246 -5.1224 -4.6044 -4.5953 -1.9524 -1.9355 -1.3788 -1.3722 -0.8931 -0.8818 -0.8695 -0.8150 -0.8002 -0.7481 -0.6732 -0.6670 -0.5771 -0.5391 -0.5361 -0.4887 -0.4848 -0.4847 -0.4458 -0.4279 -0.4086 -0.3793 0.2345 0.2356 1.6640 1.6900 1.7509 1.7564 2.2146 2.2335 2.7620 2.8063 2.8393 2.8491 3.1813 3.2290 3.8010 3.8549 4.0895 4.1508 4.9392 4.9424 5.3532 5.3779 7.4646 7.4789 8.3886 8.4125 8.4692 8.4864 8.9253 8.9703 9.9317 9.9922 k = 0.3146 0.6173 0.3175 ( 6174 PWs) bands (ev): -6.4096 -6.4091 -5.9792 -5.9765 -5.1384 -5.1360 -4.6031 -4.5938 -1.9807 -1.9644 -1.3646 -1.3576 -0.8944 -0.8833 -0.8702 -0.8185 -0.7973 -0.7458 -0.6715 -0.6667 -0.5762 -0.5395 -0.5390 -0.4908 -0.4859 -0.4831 -0.4444 -0.4259 -0.4044 -0.3788 0.2586 0.2589 1.6480 1.6706 1.7751 1.7812 2.1851 2.2069 2.7298 2.7735 2.8241 2.8385 3.1103 3.1603 3.8299 3.8712 4.0903 4.1415 4.9621 4.9667 5.3749 5.3988 7.4854 7.5022 8.4097 8.4324 8.4750 8.4938 8.9984 9.0420 10.0319 10.0944 k = 0.3146 0.6173 0.3175 ( 6174 PWs) bands (ev): -6.4096 -6.4091 -5.9792 -5.9765 -5.1384 -5.1360 -4.6031 -4.5938 -1.9807 -1.9644 -1.3646 -1.3576 -0.8944 -0.8833 -0.8702 -0.8185 -0.7973 -0.7458 -0.6715 -0.6667 -0.5762 -0.5395 -0.5390 -0.4908 -0.4859 -0.4831 -0.4444 -0.4259 -0.4044 -0.3788 0.2586 0.2589 1.6480 1.6706 1.7751 1.7812 2.1851 2.2069 2.7298 2.7735 2.8241 2.8385 3.1103 3.1603 3.8299 3.8712 4.0903 4.1415 4.9621 4.9667 5.3749 5.3988 7.4854 7.5022 8.4097 8.4324 8.4750 8.4938 8.9984 9.0420 10.0319 10.0944 k = 0.2950 0.6117 0.3244 ( 6178 PWs) bands (ev): -6.4200 -6.4195 -5.9609 -5.9582 -5.1423 -5.1397 -4.6031 -4.5936 -1.9961 -1.9803 -1.3574 -1.3505 -0.8949 -0.8840 -0.8704 -0.8208 -0.7956 -0.7442 -0.6715 -0.6665 -0.5756 -0.5406 -0.5394 -0.4922 -0.4861 -0.4821 -0.4436 -0.4245 -0.4030 -0.3775 0.2645 0.2691 1.6394 1.6601 1.7926 1.7985 2.1685 2.1917 2.7121 2.7536 2.8150 2.8392 3.0849 3.1364 3.8401 3.8756 4.0962 4.1419 4.9623 4.9676 5.3901 5.4124 7.4987 7.5172 8.4049 8.4326 8.4842 8.5062 9.0312 9.0737 10.0790 10.1419 k = 0.2753 0.6061 0.3313 ( 6176 PWs) bands (ev): -6.4339 -6.4334 -5.9395 -5.9368 -5.1428 -5.1399 -4.6042 -4.5946 -2.0151 -1.9998 -1.3489 -1.3421 -0.8954 -0.8848 -0.8707 -0.8241 -0.7930 -0.7417 -0.6724 -0.6660 -0.5749 -0.5424 -0.5391 -0.4943 -0.4858 -0.4810 -0.4426 -0.4222 -0.4030 -0.3742 0.2682 0.2770 1.6304 1.6491 1.8137 1.8184 2.1458 2.1707 2.6891 2.7241 2.8101 2.8420 3.0756 3.1284 3.8440 3.8767 4.1055 4.1469 4.9474 4.9530 5.4136 5.4326 7.5194 7.5408 8.3869 8.4214 8.5065 8.5294 9.0667 9.1075 10.1192 10.1799 k = 0.2557 0.6005 0.3382 ( 6181 PWs) bands (ev): -6.4498 -6.4494 -5.9168 -5.9142 -5.1397 -5.1365 -4.6067 -4.5969 -2.0369 -2.0224 -1.3396 -1.3331 -0.8958 -0.8857 -0.8709 -0.8281 -0.7898 -0.7385 -0.6738 -0.6656 -0.5741 -0.5445 -0.5388 -0.4968 -0.4852 -0.4797 -0.4416 -0.4188 -0.4038 -0.3693 0.2702 0.2829 1.6229 1.6399 1.8348 1.8374 2.1189 2.1458 2.6597 2.6850 2.8141 2.8448 3.0829 3.1345 3.8421 3.8747 4.1175 4.1561 4.9215 4.9277 5.4390 5.4536 7.5471 7.5724 8.3698 8.4110 8.5319 8.5534 9.1067 9.1460 10.1496 10.2061 k = 0.2360 0.5948 0.3451 ( 6169 PWs) bands (ev): -6.4666 -6.4662 -5.8943 -5.8918 -5.1327 -5.1291 -4.6105 -4.6006 -2.0609 -2.0473 -1.3299 -1.3237 -0.8960 -0.8865 -0.8712 -0.8325 -0.7859 -0.7347 -0.6755 -0.6654 -0.5733 -0.5467 -0.5382 -0.4994 -0.4844 -0.4783 -0.4406 -0.4141 -0.4050 -0.3634 0.2708 0.2869 1.6172 1.6327 1.8526 1.8542 2.0900 2.1195 2.6235 2.6401 2.8264 2.8519 3.1027 3.1513 3.8350 3.8694 4.1321 4.1689 4.8883 4.8957 5.4609 5.4708 7.5815 7.6112 8.3591 8.4078 8.5564 8.5757 9.1525 9.1911 10.1719 10.2233 k = 0.2163 0.5892 0.3521 ( 6171 PWs) bands (ev): -6.4835 -6.4832 -5.8729 -5.8706 -5.1219 -5.1178 -4.6159 -4.6058 -2.0862 -2.0735 -1.3201 -1.3142 -0.8962 -0.8874 -0.8716 -0.8371 -0.7815 -0.7306 -0.6775 -0.6656 -0.5727 -0.5491 -0.5376 -0.5020 -0.4834 -0.4769 -0.4397 -0.4085 -0.4059 -0.3568 0.2705 0.2893 1.6129 1.6272 1.8639 1.8687 2.0615 2.0943 2.5828 2.5931 2.8451 2.8653 3.1307 3.1753 3.8236 3.8604 4.1496 4.1851 4.8504 4.8598 5.4752 5.4812 7.6221 7.6566 8.3572 8.4136 8.5795 8.5959 9.2046 9.2440 10.1878 10.2337 k = 0.1967 0.5836 0.3590 ( 6170 PWs) bands (ev): -6.5000 -6.4997 -5.8535 -5.8513 -5.1072 -5.1026 -4.6229 -4.6128 -2.1122 -2.1005 -1.3106 -1.3050 -0.8962 -0.8882 -0.8720 -0.8417 -0.7767 -0.7265 -0.6796 -0.6661 -0.5723 -0.5515 -0.5369 -0.5048 -0.4823 -0.4756 -0.4388 -0.4082 -0.4001 -0.3498 0.2695 0.2904 1.6095 1.6230 1.8689 1.8778 2.0359 2.0722 2.5409 2.5470 2.8687 2.8849 3.1634 3.2038 3.8090 3.8480 4.1702 4.2043 4.8097 4.8220 5.4784 5.4842 7.6689 7.7080 8.3649 8.4283 8.6018 8.6144 9.2629 9.3045 10.1983 10.2389 k = 0.1770 0.5780 0.3659 ( 6166 PWs) bands (ev): -6.5156 -6.5153 -5.8364 -5.8343 -5.0890 -5.0838 -4.6318 -4.6216 -2.1382 -2.1275 -1.3015 -1.2963 -0.8962 -0.8889 -0.8724 -0.8463 -0.7715 -0.7224 -0.6819 -0.6668 -0.5720 -0.5539 -0.5361 -0.5074 -0.4811 -0.4743 -0.4379 -0.4097 -0.3916 -0.3428 0.2683 0.2904 1.6063 1.6194 1.8674 1.8800 2.0156 2.0546 2.5004 2.5036 2.8959 2.9097 3.1983 3.2346 3.7920 3.8327 4.1939 4.2259 4.7677 4.7835 5.4698 5.4789 7.7218 7.7650 8.3808 8.4494 8.6251 8.6326 9.3265 9.3719 10.2045 10.2401 k = 0.1573 0.5724 0.3728 ( 6169 PWs) bands (ev): -6.5300 -6.5298 -5.8217 -5.8198 -5.0674 -5.0618 -4.6424 -4.6322 -2.1634 -2.1538 -1.2931 -1.2882 -0.8960 -0.8896 -0.8728 -0.8506 -0.7661 -0.7185 -0.6842 -0.6678 -0.5719 -0.5562 -0.5353 -0.5101 -0.4799 -0.4731 -0.4369 -0.4111 -0.3821 -0.3358 0.2669 0.2895 1.6029 1.6159 1.8602 1.8753 2.0018 2.0418 2.4628 2.4646 2.9260 2.9383 3.2333 3.2657 3.7742 3.8157 4.2202 4.2492 4.7258 4.7459 5.4510 5.4642 7.7804 7.8272 8.4021 8.4725 8.6498 8.6543 9.3940 9.4445 10.2070 10.2383 k = 0.1377 0.5667 0.3797 ( 6165 PWs) bands (ev): -6.5431 -6.5429 -5.8095 -5.8078 -5.0432 -5.0372 -4.6550 -4.6448 -2.1872 -2.1787 -1.2854 -1.2809 -0.8958 -0.8903 -0.8733 -0.8547 -0.7605 -0.7151 -0.6863 -0.6689 -0.5718 -0.5584 -0.5345 -0.5126 -0.4786 -0.4721 -0.4357 -0.4126 -0.3720 -0.3292 0.2656 0.2879 1.5990 1.6118 1.8490 1.8651 1.9937 2.0328 2.4282 2.4315 2.9579 2.9698 3.2663 3.2949 3.7571 3.7982 4.2481 4.2730 4.6855 4.7106 5.4237 5.4406 7.8442 7.8939 8.4246 8.4930 8.6731 8.6863 9.4632 9.5200 10.2066 10.2345 k = 0.1180 0.5611 0.3867 ( 6169 PWs) bands (ev): -6.5547 -6.5545 -5.7996 -5.7981 -5.0170 -5.0106 -4.6693 -4.6593 -2.2091 -2.2017 -1.2786 -1.2746 -0.8955 -0.8908 -0.8737 -0.8584 -0.7549 -0.7126 -0.6880 -0.6703 -0.5718 -0.5605 -0.5336 -0.5151 -0.4774 -0.4714 -0.4344 -0.4142 -0.3617 -0.3233 0.2646 0.2857 1.5946 1.6071 1.8361 1.8521 1.9896 2.0264 2.3982 2.4034 2.9913 3.0030 3.2950 3.3196 3.7429 3.7822 4.2758 4.2959 4.6487 4.6792 5.3902 5.4099 7.9123 7.9640 8.4440 8.5074 8.6997 8.7245 9.5313 9.5953 10.2039 10.2296 k = 0.0983 0.5555 0.3936 ( 6164 PWs) bands (ev): -6.5646 -6.5645 -5.7917 -5.7905 -4.9895 -4.9828 -4.6853 -4.6755 -2.2285 -2.2223 -1.2727 -1.2692 -0.8951 -0.8913 -0.8740 -0.8618 -0.7493 -0.7113 -0.6889 -0.6718 -0.5717 -0.5623 -0.5327 -0.5174 -0.4762 -0.4708 -0.4329 -0.4157 -0.3516 -0.3183 0.2640 0.2831 1.5900 1.6016 1.8235 1.8384 1.9880 2.0213 2.3734 2.3799 3.0251 3.0368 3.3172 3.3377 3.7333 3.7691 4.3006 4.3161 4.6180 4.6537 5.3530 5.3744 7.9828 8.0357 8.4573 8.5147 8.7303 8.7648 9.5944 9.6656 10.1985 10.2236 k = 0.0787 0.5499 0.4005 ( 6168 PWs) bands (ev): -6.5729 -6.5728 -5.7857 -5.7847 -4.9618 -4.9550 -4.7025 -4.6932 -2.2450 -2.2400 -1.2677 -1.2648 -0.8947 -0.8917 -0.8742 -0.8648 -0.7438 -0.7115 -0.6887 -0.6735 -0.5716 -0.5641 -0.5317 -0.5195 -0.4750 -0.4705 -0.4313 -0.4173 -0.3419 -0.3144 0.2639 0.2802 1.5856 1.5958 1.8125 1.8254 1.9883 2.0170 2.3538 2.3608 3.0586 3.0699 3.3313 3.3472 3.7298 3.7604 4.3191 4.3319 4.5966 4.6354 5.3155 5.3368 8.0536 8.1064 8.4632 8.5153 8.7625 8.8022 9.6478 9.7238 10.1892 10.2066 k = 0.0590 0.5443 0.4074 ( 6171 PWs) bands (ev): -6.5793 -6.5792 -5.7813 -5.7805 -4.9350 -4.9284 -4.7201 -4.7117 -2.2581 -2.2543 -1.2638 -1.2615 -0.8943 -0.8920 -0.8742 -0.8674 -0.7384 -0.7132 -0.6875 -0.6753 -0.5713 -0.5657 -0.5306 -0.5215 -0.4740 -0.4704 -0.4296 -0.4190 -0.3331 -0.3120 0.2643 0.2772 1.5820 1.5901 1.8038 1.8141 1.9901 2.0129 2.3392 2.3457 3.0902 3.1005 3.3368 3.3484 3.7321 3.7558 4.3296 4.3414 4.5869 4.6242 5.2813 5.3006 8.1215 8.1718 8.4627 8.5094 8.7932 8.8319 9.6878 9.7611 10.1711 10.1772 k = 0.0393 0.5387 0.4143 ( 6171 PWs) bands (ev): -6.5840 -6.5839 -5.7782 -5.7777 -4.9108 -4.9051 -4.7366 -4.7296 -2.2675 -2.2649 -1.2608 -1.2593 -0.8939 -0.8924 -0.8739 -0.8695 -0.7332 -0.7160 -0.6857 -0.6772 -0.5708 -0.5671 -0.5294 -0.5234 -0.4730 -0.4706 -0.4279 -0.4207 -0.3255 -0.3111 0.2653 0.2742 1.5794 1.5851 1.7979 1.8050 1.9929 2.0089 2.3295 2.3344 3.1179 3.1262 3.3358 3.3434 3.7381 3.7542 4.3340 4.3437 4.5883 4.6179 5.2544 5.2692 8.1826 8.2257 8.4585 8.4977 8.8197 8.8505 9.7147 9.7727 10.1593 10.1711 k = 0.0197 0.5330 0.4213 ( 6169 PWs) bands (ev): -6.5868 -6.5867 -5.7764 -5.7762 -4.8921 -4.8886 -4.7487 -4.7445 -2.2729 -2.2717 -1.2589 -1.2581 -0.8934 -0.8927 -0.8734 -0.8712 -0.7283 -0.7196 -0.6836 -0.6793 -0.5702 -0.5683 -0.5281 -0.5251 -0.4722 -0.4709 -0.4261 -0.4225 -0.3193 -0.3120 0.2669 0.2714 1.5783 1.5812 1.7950 1.7986 1.9965 2.0047 2.3244 2.3271 3.1385 3.1433 3.3325 3.3364 3.7449 3.7530 4.3360 4.3414 4.5964 4.6127 5.2383 5.2465 8.2314 8.2583 8.4570 8.4814 8.8401 8.8573 9.7337 9.7654 10.1638 10.1716 k = 0.0000 0.5274 0.4282 ( 6178 PWs) bands (ev): -6.5877 -6.5877 -5.7757 -5.7757 -4.8836 -4.8836 -4.7520 -4.7520 -2.2744 -2.2744 -1.2579 -1.2579 -0.8931 -0.8931 -0.8725 -0.8725 -0.7238 -0.7238 -0.6814 -0.6814 -0.5694 -0.5694 -0.5267 -0.5267 -0.4715 -0.4715 -0.4243 -0.4243 -0.3148 -0.3148 0.2689 0.2689 1.5789 1.5789 1.7952 1.7952 2.0006 2.0006 2.3236 2.3236 3.1478 3.1478 3.3320 3.3320 3.7502 3.7502 4.3382 4.3382 4.6056 4.6056 5.2355 5.2355 8.2598 8.2598 8.4653 8.4653 8.8532 8.8532 9.7503 9.7503 10.1701 10.1701 k = 0.0000 0.5274 0.4282 ( 6178 PWs) bands (ev): -6.5877 -6.5877 -5.7757 -5.7757 -4.8836 -4.8836 -4.7520 -4.7520 -2.2744 -2.2744 -1.2579 -1.2579 -0.8931 -0.8931 -0.8725 -0.8725 -0.7238 -0.7238 -0.6814 -0.6814 -0.5694 -0.5694 -0.5267 -0.5267 -0.4715 -0.4715 -0.4243 -0.4243 -0.3148 -0.3148 0.2689 0.2689 1.5789 1.5789 1.7952 1.7952 2.0006 2.0006 2.3236 2.3236 3.1478 3.1478 3.3320 3.3320 3.7502 3.7502 4.3382 4.3382 4.6056 4.6056 5.2355 5.2355 8.2598 8.2598 8.4653 8.4653 8.8532 8.8532 9.7503 9.7503 10.1701 10.1701 k = 0.0089 0.5150 0.4435 ( 6178 PWs) bands (ev): -6.5869 -6.5868 -5.7757 -5.7757 -4.8847 -4.8843 -4.7524 -4.7522 -2.2735 -2.2732 -1.2593 -1.2574 -0.8934 -0.8927 -0.8728 -0.8720 -0.7266 -0.7213 -0.6816 -0.6812 -0.5694 -0.5692 -0.5276 -0.5257 -0.4717 -0.4713 -0.4260 -0.4226 -0.3159 -0.3147 0.2649 0.2663 1.5712 1.5724 1.7929 1.7939 2.0075 2.0079 2.3203 2.3226 3.1497 3.1532 3.3344 3.3413 3.7512 3.7564 4.3385 4.3419 4.6040 4.6081 5.2337 5.2354 8.2525 8.2571 8.4638 8.4640 8.8494 8.8550 9.7553 9.7557 10.1695 10.1722 k = 0.0179 0.5026 0.4588 ( 6174 PWs) bands (ev): -6.5846 -6.5844 -5.7755 -5.7754 -4.8874 -4.8866 -4.7535 -4.7530 -2.2706 -2.2700 -1.2614 -1.2575 -0.8936 -0.8923 -0.8729 -0.8714 -0.7298 -0.7193 -0.6819 -0.6810 -0.5694 -0.5689 -0.5285 -0.5247 -0.4721 -0.4713 -0.4278 -0.4211 -0.3179 -0.3155 0.2544 0.2572 1.5502 1.5524 1.7866 1.7882 2.0276 2.0286 2.3133 2.3182 3.1589 3.1658 3.3481 3.3617 3.7595 3.7698 4.3429 4.3498 4.6035 4.6117 5.2298 5.2331 8.2358 8.2449 8.4595 8.4599 8.8437 8.8549 9.7703 9.7710 10.1692 10.1759 k = 0.0268 0.4902 0.4741 ( 6176 PWs) bands (ev): -6.5807 -6.5804 -5.7753 -5.7752 -4.8919 -4.8907 -4.7552 -4.7545 -2.2657 -2.2648 -1.2642 -1.2585 -0.8938 -0.8918 -0.8729 -0.8705 -0.7333 -0.7177 -0.6822 -0.6808 -0.5693 -0.5686 -0.5293 -0.5237 -0.4726 -0.4714 -0.4297 -0.4197 -0.3208 -0.3174 0.2379 0.2420 1.5186 1.5215 1.7754 1.7770 2.0586 2.0602 2.3049 2.3128 3.1750 3.1851 3.3714 3.3915 3.7748 3.7902 4.3513 4.3618 4.6043 4.6166 5.2238 5.2289 8.2105 8.2242 8.4524 8.4530 8.8367 8.8529 9.7936 9.7946 10.1665 10.1809 k = 0.0357 0.4778 0.4894 ( 6178 PWs) bands (ev): -6.5752 -6.5749 -5.7750 -5.7748 -4.8979 -4.8963 -4.7575 -4.7567 -2.2589 -2.2576 -1.2679 -1.2602 -0.8939 -0.8913 -0.8728 -0.8695 -0.7371 -0.7166 -0.6826 -0.6806 -0.5690 -0.5682 -0.5300 -0.5227 -0.4733 -0.4716 -0.4316 -0.4185 -0.3246 -0.3201 0.2161 0.2213 1.4790 1.4823 1.7578 1.7591 2.0979 2.1002 2.2981 2.3095 3.1975 3.2107 3.4022 3.4286 3.7968 3.8173 4.3634 4.3777 4.6068 4.6230 5.2158 5.2227 8.1782 8.1963 8.4426 8.4432 8.8285 8.8494 9.8228 9.8242 10.1568 10.1854 k = 0.0446 0.4653 0.5047 ( 6178 PWs) bands (ev): -6.5682 -6.5678 -5.7747 -5.7745 -4.9053 -4.9034 -4.7605 -4.7595 -2.2501 -2.2484 -1.2723 -1.2628 -0.8939 -0.8908 -0.8725 -0.8683 -0.7411 -0.7161 -0.6831 -0.6802 -0.5686 -0.5678 -0.5308 -0.5217 -0.4741 -0.4719 -0.4335 -0.4174 -0.3290 -0.3235 0.1898 0.1961 1.4333 1.4369 1.7328 1.7335 2.1434 2.1462 2.2960 2.3113 3.2259 3.2421 3.4379 3.4704 3.8251 3.8505 4.3790 4.3973 4.6115 4.6315 5.2058 5.2145 8.1405 8.1630 8.4299 8.4305 8.8197 8.8445 9.8548 9.8568 10.1395 10.1807 k = 0.0536 0.4529 0.5199 ( 6176 PWs) bands (ev): -6.5596 -6.5591 -5.7746 -5.7744 -4.9141 -4.9118 -4.7642 -4.7629 -2.2393 -2.2373 -1.2776 -1.2663 -0.8938 -0.8903 -0.8721 -0.8669 -0.7454 -0.7161 -0.6837 -0.6797 -0.5680 -0.5674 -0.5314 -0.5206 -0.4750 -0.4724 -0.4355 -0.4166 -0.3341 -0.3277 0.1601 0.1673 1.3833 1.3870 1.6996 1.6997 2.1935 2.1964 2.3007 2.3205 3.2598 3.2787 3.4760 3.5145 3.8591 3.8893 4.3977 4.4201 4.6194 4.6429 5.1938 5.2045 8.0991 8.1260 8.4144 8.4147 8.8106 8.8387 9.8854 9.8885 10.1162 10.1621 k = 0.0625 0.4405 0.5352 ( 6172 PWs) bands (ev): -6.5495 -6.5490 -5.7747 -5.7744 -4.9239 -4.9213 -4.7685 -4.7671 -2.2267 -2.2243 -1.2838 -1.2706 -0.8936 -0.8897 -0.8716 -0.8653 -0.7500 -0.7166 -0.6843 -0.6791 -0.5673 -0.5669 -0.5320 -0.5196 -0.4762 -0.4730 -0.4375 -0.4159 -0.3396 -0.3324 0.1279 0.1359 1.3300 1.3339 1.6583 1.6587 2.2466 2.2489 2.3137 2.3386 3.2985 3.3200 3.5144 3.5586 3.8981 3.9329 4.4187 4.4457 4.6313 4.6579 5.1800 5.1928 8.0558 8.0868 8.3959 8.3960 8.8012 8.8321 9.9078 9.9130 10.0879 10.1352 k = 0.0714 0.4281 0.5505 ( 6164 PWs) bands (ev): -6.5379 -6.5373 -5.7752 -5.7749 -4.9346 -4.9317 -4.7735 -4.7718 -2.2123 -2.2095 -1.2909 -1.2760 -0.8932 -0.8891 -0.8710 -0.8636 -0.7548 -0.7177 -0.6850 -0.6785 -0.5665 -0.5664 -0.5325 -0.5186 -0.4775 -0.4737 -0.4394 -0.4156 -0.3454 -0.3376 0.0942 0.1026 1.2746 1.2785 1.6103 1.6109 2.3009 2.3016 2.3357 2.3666 3.3417 3.3656 3.5512 3.6009 3.9412 3.9805 4.4413 4.4731 4.6485 4.6775 5.1643 5.1794 8.0118 8.0469 8.3739 8.3746 8.7916 8.8249 9.9091 9.9161 10.0569 10.0979 k = 0.0804 0.4157 0.5658 ( 6158 PWs) bands (ev): -6.5248 -6.5241 -5.7762 -5.7759 -4.9460 -4.9428 -4.7792 -4.7773 -2.1962 -2.1929 -1.2989 -1.2823 -0.8928 -0.8885 -0.8704 -0.8618 -0.7598 -0.7193 -0.6857 -0.6778 -0.5661 -0.5653 -0.5330 -0.5177 -0.4790 -0.4747 -0.4414 -0.4156 -0.3514 -0.3430 0.0599 0.0685 1.2180 1.2218 1.5571 1.5578 2.3513 2.3522 2.3703 2.4052 3.3892 3.4152 3.5847 3.6395 3.9876 4.0312 4.4648 4.5016 4.6719 4.7027 5.1472 5.1649 7.9684 8.0075 8.3489 8.3503 8.7817 8.8168 9.8723 9.8770 10.0287 10.0776 k = 0.0893 0.4033 0.5811 ( 6150 PWs) bands (ev): -6.5103 -6.5096 -5.7779 -5.7775 -4.9577 -4.9542 -4.7855 -4.7834 -2.1784 -2.1746 -1.3080 -1.2898 -0.8923 -0.8879 -0.8697 -0.8598 -0.7650 -0.7212 -0.6865 -0.6770 -0.5658 -0.5641 -0.5335 -0.5168 -0.4807 -0.4758 -0.4433 -0.4160 -0.3575 -0.3485 0.0256 0.0342 1.1609 1.1646 1.5002 1.5007 2.3920 2.4004 2.4218 2.4532 3.4404 3.4682 3.6140 3.6733 4.0362 4.0840 4.4886 4.5303 4.7020 4.7340 5.1288 5.1494 7.9265 7.9694 8.3211 8.3232 8.7710 8.8078 9.8014 9.8015 10.0004 10.0547 k = 0.0982 0.3908 0.5964 ( 6156 PWs) bands (ev): -6.4944 -6.4936 -5.7805 -5.7801 -4.9695 -4.9657 -4.7925 -4.7902 -2.1590 -2.1547 -1.3182 -1.2984 -0.8917 -0.8874 -0.8689 -0.8578 -0.7703 -0.7235 -0.6874 -0.6764 -0.5655 -0.5628 -0.5339 -0.5159 -0.4827 -0.4772 -0.4451 -0.4168 -0.3635 -0.3540 -0.0077 0.0005 1.1040 1.1076 1.4408 1.4410 2.4335 2.4484 2.4779 2.5067 3.4949 3.5241 3.6382 3.7012 4.0861 4.1379 4.5127 4.5589 4.7385 4.7712 5.1097 5.1334 7.8868 7.9335 8.2906 8.2933 8.7592 8.7974 9.7103 9.7136 9.9691 10.0231 k = 0.1071 0.3784 0.6117 ( 6160 PWs) bands (ev): -6.4771 -6.4762 -5.7841 -5.7837 -4.9810 -4.9771 -4.8001 -4.7977 -2.1380 -2.1332 -1.3295 -1.3084 -0.8910 -0.8868 -0.8682 -0.8558 -0.7759 -0.7260 -0.6884 -0.6759 -0.5653 -0.5614 -0.5344 -0.5152 -0.4848 -0.4787 -0.4469 -0.4183 -0.3693 -0.3593 -0.0397 -0.0323 1.0480 1.0514 1.3798 1.3799 2.4789 2.4983 2.5343 2.5621 3.5519 3.5821 3.6569 3.7229 4.1365 4.1919 4.5375 4.5876 4.7806 4.8136 5.0905 5.1177 7.8501 7.9002 8.2577 8.2611 8.7456 8.7851 9.6134 9.6186 9.9364 9.9908 k = 0.1161 0.3660 0.6270 ( 6162 PWs) bands (ev): -6.4585 -6.4576 -5.7891 -5.7886 -4.9921 -4.9879 -4.8084 -4.8058 -2.1157 -2.1102 -1.3420 -1.3196 -0.8902 -0.8862 -0.8673 -0.8539 -0.7815 -0.7286 -0.6894 -0.6755 -0.5651 -0.5598 -0.5349 -0.5146 -0.4870 -0.4804 -0.4487 -0.4204 -0.3747 -0.3641 -0.0697 -0.0635 0.9935 0.9966 1.3180 1.3186 2.5278 2.5506 2.5901 2.6179 3.6104 3.6411 3.6699 3.7384 4.1866 4.2452 4.5635 4.6167 4.8269 4.8598 5.0718 5.1030 7.8165 7.8699 8.2227 8.2266 8.7296 8.7702 9.5146 9.5211 9.9041 9.9589 k = 0.1250 0.3536 0.6423 ( 6168 PWs) bands (ev): -6.4386 -6.4376 -5.7956 -5.7950 -5.0023 -4.9979 -4.8173 -4.8145 -2.0920 -2.0859 -1.3558 -1.3322 -0.8894 -0.8857 -0.8665 -0.8520 -0.7873 -0.7311 -0.6906 -0.6754 -0.5651 -0.5582 -0.5355 -0.5141 -0.4894 -0.4821 -0.4505 -0.4232 -0.3796 -0.3683 -0.0975 -0.0929 0.9411 0.9439 1.2564 1.2574 2.5797 2.6052 2.6450 2.6732 3.6681 3.6767 3.7004 3.7488 4.2361 4.2969 4.5911 4.6466 4.8757 4.9080 5.0545 5.0903 7.7865 7.8429 8.1859 8.1904 8.7108 8.7523 9.4158 9.4230 9.8738 9.9284 k = 0.1339 0.3412 0.6576 ( 6164 PWs) bands (ev): -6.4175 -6.4165 -5.8037 -5.8031 -5.0114 -5.0069 -4.8268 -4.8239 -2.0670 -2.0603 -1.3708 -1.3463 -0.8886 -0.8851 -0.8656 -0.8503 -0.7930 -0.7336 -0.6917 -0.6756 -0.5651 -0.5566 -0.5362 -0.5138 -0.4919 -0.4838 -0.4523 -0.4267 -0.3838 -0.3717 -0.1229 -0.1204 0.8913 0.8937 1.1956 1.1970 2.6336 2.6616 2.6990 2.7277 3.6791 3.7172 3.7564 3.7608 4.2850 4.3466 4.6206 4.6776 4.9252 4.9561 5.0398 5.0808 7.7602 7.8192 8.1477 8.1527 8.6887 8.7308 9.3180 9.3257 9.8472 9.9008 k = 0.1429 0.3288 0.6729 ( 6162 PWs) bands (ev): -6.3953 -6.3942 -5.8136 -5.8129 -5.0191 -5.0145 -4.8370 -4.8339 -2.0409 -2.0334 -1.3872 -1.3619 -0.8877 -0.8846 -0.8647 -0.8488 -0.7987 -0.7357 -0.6930 -0.6761 -0.5651 -0.5550 -0.5371 -0.5136 -0.4943 -0.4854 -0.4542 -0.4309 -0.3873 -0.3742 -0.1458 -0.1457 0.8446 0.8466 1.1361 1.1380 2.6885 2.7189 2.7525 2.7816 3.6764 3.7334 3.7970 3.8078 4.3340 4.3943 4.6519 4.7098 4.9737 5.0011 5.0288 5.0767 7.7378 7.7990 8.1086 8.1143 8.6632 8.7055 9.2220 9.2300 9.8260 9.8776 k = 0.1518 0.3164 0.6882 ( 6160 PWs) bands (ev): -6.3719 -6.3708 -5.8254 -5.8247 -5.0252 -5.0205 -4.8476 -4.8444 -2.0137 -2.0056 -1.4049 -1.3790 -0.8869 -0.8841 -0.8637 -0.8476 -0.8043 -0.7375 -0.6943 -0.6771 -0.5651 -0.5535 -0.5382 -0.5135 -0.4966 -0.4868 -0.4561 -0.4356 -0.3898 -0.3757 -0.1693 -0.1661 0.8016 0.8030 1.0784 1.0807 2.7434 2.7761 2.8060 2.8352 3.6696 3.7292 3.8433 3.8514 4.3844 4.4405 4.6849 4.7431 5.0132 5.0284 5.0355 5.0843 7.7191 7.7821 8.0692 8.0757 8.6345 8.6765 9.1284 9.1367 9.8117 9.8607 k = 0.1607 0.3039 0.7035 ( 6160 PWs) bands (ev): -6.3475 -6.3463 -5.8393 -5.8385 -5.0297 -5.0249 -4.8588 -4.8554 -1.9857 -1.9767 -1.4241 -1.3978 -0.8860 -0.8836 -0.8628 -0.8467 -0.8097 -0.7387 -0.6956 -0.6785 -0.5651 -0.5522 -0.5395 -0.5136 -0.4987 -0.4879 -0.4581 -0.4408 -0.3913 -0.3763 -0.1908 -0.1843 0.7625 0.7635 1.0229 1.0255 2.7969 2.8320 2.8601 2.8892 3.6593 3.7185 3.8836 3.8844 4.4376 4.4868 4.7193 4.7771 5.0159 5.0507 5.0655 5.1108 7.7043 7.7685 8.0301 8.0376 8.6030 8.6443 9.0379 9.0464 9.8056 9.8512 k = 0.1696 0.2915 0.7187 ( 6148 PWs) bands (ev): -6.3222 -6.3210 -5.8551 -5.8543 -5.0322 -5.0274 -4.8704 -4.8669 -1.9568 -1.9470 -1.4445 -1.4180 -0.8852 -0.8831 -0.8619 -0.8462 -0.8148 -0.7393 -0.6970 -0.6804 -0.5651 -0.5513 -0.5410 -0.5136 -0.5006 -0.4886 -0.4602 -0.4460 -0.3917 -0.3759 -0.2107 -0.2004 0.7280 0.7283 0.9698 0.9728 2.8480 2.8854 2.9152 2.9442 3.6463 3.7042 3.9048 3.9131 4.4949 4.5349 4.7545 4.8115 5.0174 5.0581 5.1027 5.1433 7.6932 7.7581 7.9920 8.0007 8.5696 8.6100 8.9508 8.9596 9.8079 9.8498 k = 0.1786 0.2791 0.7340 ( 6148 PWs) bands (ev): -6.2961 -6.2948 -5.8730 -5.8720 -5.0330 -5.0281 -4.8824 -4.8788 -1.9272 -1.9165 -1.4663 -1.4398 -0.8844 -0.8827 -0.8611 -0.8461 -0.8196 -0.7393 -0.6984 -0.6828 -0.5650 -0.5507 -0.5425 -0.5135 -0.5021 -0.4888 -0.4622 -0.4512 -0.3910 -0.3747 -0.2291 -0.2148 0.6979 0.6982 0.9195 0.9229 2.8961 2.9357 2.9710 2.9998 3.6316 3.6877 3.9119 3.9297 4.5568 4.5865 4.7900 4.8459 5.0217 5.0651 5.1338 5.1721 7.6859 7.7507 7.9554 7.9657 8.5357 8.5747 8.8678 8.8770 9.8187 9.8565 k = 0.1875 0.2667 0.7493 ( 6142 PWs) bands (ev): -6.2692 -6.2679 -5.8927 -5.8917 -5.0318 -5.0270 -4.8947 -4.8910 -1.8970 -1.8855 -1.4894 -1.4631 -0.8837 -0.8823 -0.8604 -0.8463 -0.8238 -0.7386 -0.6998 -0.6856 -0.5647 -0.5505 -0.5442 -0.5132 -0.5032 -0.4885 -0.4643 -0.4562 -0.3892 -0.3727 -0.2463 -0.2277 0.6726 0.6736 0.8723 0.8760 2.9411 2.9829 3.0266 3.0549 3.6164 3.6706 3.9061 3.9327 4.6226 4.6422 4.8252 4.8797 5.0280 5.0727 5.1575 5.1941 7.6820 7.7462 7.9209 7.9332 8.5026 8.5400 8.7895 8.7991 9.8373 9.8710 k = 0.1964 0.2543 0.7646 ( 6128 PWs) bands (ev): -6.2416 -6.2403 -5.9142 -5.9131 -5.0289 -5.0240 -4.9072 -4.9034 -1.8664 -1.8540 -1.5138 -1.4878 -0.8830 -0.8819 -0.8599 -0.8468 -0.8274 -0.7373 -0.7012 -0.6888 -0.5643 -0.5506 -0.5458 -0.5127 -0.5039 -0.4879 -0.4663 -0.4609 -0.3863 -0.3701 -0.2624 -0.2394 0.6526 0.6542 0.8285 0.8324 2.9831 3.0272 3.0801 3.1077 3.6022 3.6543 3.8891 3.9230 4.6910 4.7015 4.8594 4.9124 5.0348 5.0803 5.1727 5.2079 7.6815 7.7444 7.8890 7.9037 8.4721 8.5075 8.7165 8.7267 9.8628 9.8925 k = 0.2054 0.2419 0.7799 ( 6130 PWs) bands (ev): -6.2136 -6.2122 -5.9373 -5.9362 -5.0243 -5.0194 -4.9199 -4.9160 -1.8355 -1.8222 -1.5393 -1.5138 -0.8824 -0.8815 -0.8597 -0.8475 -0.8304 -0.7354 -0.7024 -0.6922 -0.5638 -0.5509 -0.5475 -0.5122 -0.5041 -0.4869 -0.4683 -0.4653 -0.3822 -0.3668 -0.2775 -0.2500 0.6381 0.6404 0.7884 0.7923 3.0222 3.0689 3.1294 3.1557 3.5911 3.6411 3.8627 3.9026 4.7602 4.7630 4.8920 4.9433 5.0408 5.0870 5.1788 5.2126 7.6842 7.7452 7.8599 7.8776 8.4458 8.4791 8.6495 8.6605 9.8940 9.9198 k = 0.2143 0.2295 0.7952 ( 6134 PWs) bands (ev): -6.1851 -6.1837 -5.9618 -5.9606 -5.0182 -5.0133 -4.9325 -4.9286 -1.8045 -1.7904 -1.5660 -1.5409 -0.8818 -0.8812 -0.8597 -0.8482 -0.8327 -0.7331 -0.7035 -0.6958 -0.5632 -0.5514 -0.5490 -0.5120 -0.5036 -0.4855 -0.4704 -0.4692 -0.3771 -0.3633 -0.2917 -0.2594 0.6292 0.6322 0.7521 0.7561 3.0579 3.1079 3.1717 3.1957 3.5858 3.6337 3.8292 3.8738 4.8247 4.8280 4.9224 4.9719 5.0451 5.0920 5.1754 5.2077 7.6898 7.7483 7.8338 7.8548 8.4253 8.4564 8.5893 8.6013 9.9292 9.9516 k = 0.2232 0.2170 0.8105 ( 6128 PWs) bands (ev): -6.1564 -6.1550 -5.9876 -5.9863 -5.0107 -5.0057 -4.9450 -4.9411 -1.7734 -1.7586 -1.5936 -1.5689 -0.8813 -0.8810 -0.8600 -0.8489 -0.8343 -0.7306 -0.7045 -0.6993 -0.5624 -0.5519 -0.5504 -0.5119 -0.5027 -0.4840 -0.4726 -0.4724 -0.3710 -0.3596 -0.3050 -0.2674 0.6259 0.6295 0.7200 0.7240 3.0895 3.1439 3.2042 3.2246 3.5894 3.6348 3.7907 3.8394 4.8839 4.8918 4.9499 4.9982 5.0473 5.0949 5.1625 5.1934 7.6977 7.7533 7.8108 7.8354 8.4121 8.4408 8.5368 8.5500 9.9668 9.9865 k = 0.2321 0.2046 0.8258 ( 6122 PWs) bands (ev): -6.1275 -6.1261 -6.0144 -6.0130 -5.0020 -4.9970 -4.9572 -4.9533 -1.7424 -1.7273 -1.6220 -1.5975 -0.8809 -0.8808 -0.8603 -0.8495 -0.8353 -0.7281 -0.7051 -0.7024 -0.5617 -0.5523 -0.5516 -0.5120 -0.5015 -0.4822 -0.4753 -0.4743 -0.3640 -0.3563 -0.3171 -0.2738 0.6281 0.6323 0.6925 0.6962 3.1154 3.1759 3.2250 3.2398 3.6040 3.6459 3.7492 3.8026 4.9369 4.9473 4.9738 5.0232 5.0485 5.0955 5.1408 5.1703 7.7072 7.7597 7.7910 7.8193 8.4074 8.4338 8.4930 8.5076 10.0044 10.0227 k = 0.2411 0.1922 0.8411 ( 6118 PWs) bands (ev): -6.0987 -6.0974 -6.0419 -6.0406 -4.9926 -4.9872 -4.9687 -4.9652 -1.7116 -1.6977 -1.6512 -1.6255 -0.8807 -0.8806 -0.8605 -0.8499 -0.8359 -0.7262 -0.7056 -0.7048 -0.5611 -0.5526 -0.5524 -0.5122 -0.5005 -0.4804 -0.4771 -0.4763 -0.3570 -0.3540 -0.3272 -0.2779 0.6352 0.6404 0.6701 0.6731 3.1331 3.2020 3.2352 3.2418 3.6295 3.6643 3.7075 3.7685 4.9754 4.9853 4.9922 5.0515 5.0549 5.0936 5.1119 5.1413 7.7164 7.7663 7.7759 7.8073 8.4113 8.4358 8.4593 8.4751 10.0382 10.0575 k = 0.2500 0.1798 0.8564 ( 6108 PWs) bands (ev): -6.0704 -6.0704 -6.0699 -6.0671 -4.9855 -4.9766 -4.9765 -4.9765 -1.6828 -1.6795 -1.6795 -1.6431 -0.8806 -0.8806 -0.8606 -0.8500 -0.8360 -0.7254 -0.7057 -0.7057 -0.5609 -0.5527 -0.5527 -0.5122 -0.5001 -0.4789 -0.4778 -0.4777 -0.3532 -0.3532 -0.3320 -0.2794 0.6427 0.6510 0.6575 0.6575 3.1395 3.2152 3.2379 3.2379 3.6554 3.6763 3.6763 3.7513 4.9903 4.9979 4.9979 5.0726 5.0780 5.0854 5.0855 5.1224 7.7208 7.7695 7.7695 7.8023 8.4178 8.4426 8.4426 8.4580 10.0556 10.0791 k = 0.2500 0.1798 0.8564 ( 6108 PWs) bands (ev): -6.0704 -6.0704 -6.0699 -6.0671 -4.9855 -4.9766 -4.9765 -4.9765 -1.6828 -1.6795 -1.6795 -1.6431 -0.8806 -0.8806 -0.8606 -0.8500 -0.8360 -0.7254 -0.7057 -0.7057 -0.5609 -0.5527 -0.5527 -0.5122 -0.5001 -0.4789 -0.4778 -0.4777 -0.3532 -0.3532 -0.3320 -0.2794 0.6427 0.6510 0.6575 0.6575 3.1395 3.2152 3.2379 3.2379 3.6554 3.6763 3.6763 3.7513 4.9903 4.9979 4.9979 5.0726 5.0780 5.0854 5.0855 5.1224 7.7208 7.7695 7.7695 7.8023 8.4178 8.4426 8.4426 8.4580 10.0556 10.0791 k = 0.2639 0.1898 0.8441 ( 6122 PWs) bands (ev): -6.0856 -6.0843 -6.0548 -6.0534 -4.9885 -4.9826 -4.9731 -4.9704 -1.6976 -1.6873 -1.6642 -1.6367 -0.8817 -0.8795 -0.8611 -0.8494 -0.8360 -0.7257 -0.7069 -0.7045 -0.5610 -0.5538 -0.5513 -0.5122 -0.5002 -0.4794 -0.4788 -0.4759 -0.3549 -0.3544 -0.3307 -0.2796 0.6425 0.6482 0.6645 0.6651 3.1290 3.2007 3.2237 3.2237 3.6484 3.6782 3.7107 3.7691 4.9858 4.9875 5.0033 5.0555 5.0758 5.0856 5.1056 5.1297 7.7089 7.7575 7.7641 7.7965 8.4238 8.4480 8.4531 8.4694 10.0496 10.0704 k = 0.2778 0.1998 0.8318 ( 6124 PWs) bands (ev): -6.0996 -6.0983 -6.0411 -6.0399 -4.9932 -4.9881 -4.9676 -4.9645 -1.7128 -1.7010 -1.6490 -1.6250 -0.8827 -0.8783 -0.8620 -0.8479 -0.8359 -0.7269 -0.7078 -0.7036 -0.5614 -0.5549 -0.5496 -0.5122 -0.5003 -0.4801 -0.4793 -0.4736 -0.3593 -0.3584 -0.3271 -0.2800 0.6472 0.6509 0.6774 0.6789 3.1005 3.1623 3.1859 3.1873 3.6461 3.6814 3.7799 3.8206 4.9721 4.9751 5.0040 5.0382 5.0697 5.0974 5.1267 5.1437 7.6695 7.7156 7.7542 7.7857 8.4474 8.4694 8.4796 8.4958 10.0361 10.0543 k = 0.2917 0.2098 0.8195 ( 6129 PWs) bands (ev): -6.1121 -6.1109 -6.0293 -6.0282 -4.9977 -4.9930 -4.9621 -4.9590 -1.7267 -1.7151 -1.6353 -1.6131 -0.8837 -0.8774 -0.8630 -0.8457 -0.8357 -0.7290 -0.7082 -0.7028 -0.5619 -0.5557 -0.5475 -0.5122 -0.5007 -0.4809 -0.4792 -0.4711 -0.3660 -0.3635 -0.3226 -0.2803 0.6582 0.6606 0.6937 0.6963 3.0570 3.1050 3.1350 3.1412 3.6539 3.6882 3.8606 3.8893 4.9544 4.9606 5.0004 5.0237 5.0710 5.1107 5.1461 5.1591 7.6067 7.6495 7.7409 7.7707 8.4884 8.5071 8.5169 8.5323 10.0203 10.0367 k = 0.3056 0.2197 0.8072 ( 6133 PWs) bands (ev): -6.1231 -6.1219 -6.0192 -6.0182 -5.0016 -4.9973 -4.9570 -4.9542 -1.7389 -1.7282 -1.6233 -1.6024 -0.8846 -0.8767 -0.8637 -0.8432 -0.8354 -0.7320 -0.7082 -0.7020 -0.5626 -0.5565 -0.5451 -0.5121 -0.5014 -0.4819 -0.4784 -0.4683 -0.3733 -0.3699 -0.3180 -0.2804 0.6750 0.6765 0.7132 0.7170 3.0022 3.0384 3.0782 3.0878 3.6699 3.7005 3.9412 3.9614 4.9365 4.9444 4.9939 5.0108 5.0784 5.1251 5.1649 5.1748 7.5288 7.5683 7.7235 7.7512 8.5419 8.5573 8.5625 8.5770 10.0040 10.0189 k = 0.3194 0.2297 0.7949 ( 6139 PWs) bands (ev): -6.1325 -6.1313 -6.0111 -6.0102 -5.0050 -5.0009 -4.9527 -4.9501 -1.7490 -1.7394 -1.6130 -1.5932 -0.8854 -0.8766 -0.8639 -0.8404 -0.8350 -0.7358 -0.7077 -0.7012 -0.5635 -0.5572 -0.5423 -0.5120 -0.5023 -0.4829 -0.4770 -0.4652 -0.3805 -0.3771 -0.3135 -0.2802 0.6968 0.6976 0.7357 0.7405 2.9406 2.9686 3.0186 3.0291 3.6915 3.7177 4.0153 4.0289 4.9195 4.9278 4.9860 4.9986 5.0904 5.1388 5.1857 5.1912 7.4425 7.4787 7.7025 7.7282 8.6029 8.6154 8.6158 8.6281 9.9876 10.0010 k = 0.3333 0.2397 0.7826 ( 6137 PWs) bands (ev): -6.1402 -6.1391 -6.0048 -6.0041 -5.0078 -5.0038 -4.9493 -4.9470 -1.7568 -1.7484 -1.6044 -1.5856 -0.8861 -0.8769 -0.8634 -0.8373 -0.8345 -0.7402 -0.7068 -0.7002 -0.5643 -0.5578 -0.5393 -0.5117 -0.5032 -0.4841 -0.4750 -0.4617 -0.3871 -0.3846 -0.3095 -0.2801 0.7225 0.7229 0.7608 0.7664 2.8760 2.8988 2.9577 2.9674 3.7164 3.7384 4.0784 4.0870 4.9038 4.9117 4.9772 4.9868 5.1045 5.1495 5.2098 5.2114 7.3532 7.3862 7.6788 7.7026 8.6643 8.6779 8.6785 8.6858 9.9709 9.9830 k = 0.3472 0.2497 0.7703 ( 6141 PWs) bands (ev): -6.1463 -6.1452 -6.0005 -5.9999 -5.0098 -5.0060 -4.9469 -4.9451 -1.7619 -1.7548 -1.5974 -1.5796 -0.8868 -0.8777 -0.8625 -0.8340 -0.8339 -0.7449 -0.7056 -0.6991 -0.5651 -0.5584 -0.5361 -0.5113 -0.5042 -0.4854 -0.4727 -0.4581 -0.3928 -0.3918 -0.3059 -0.2800 0.7512 0.7514 0.7883 0.7945 2.8113 2.8307 2.8967 2.9047 3.7430 3.7611 4.1277 4.1326 4.8897 4.8965 4.9683 4.9755 5.1175 5.1557 5.2332 5.2430 7.2655 7.2953 7.6532 7.6755 8.7245 8.7397 8.7488 8.7524 9.9536 9.9647 k = 0.3611 0.2597 0.7580 ( 6147 PWs) bands (ev): -6.1507 -6.1496 -5.9981 -5.9977 -5.0112 -5.0076 -4.9458 -4.9443 -1.7642 -1.7584 -1.5922 -1.5754 -0.8874 -0.8788 -0.8612 -0.8336 -0.8302 -0.7497 -0.7041 -0.6978 -0.5658 -0.5589 -0.5327 -0.5108 -0.5051 -0.4869 -0.4702 -0.4543 -0.3980 -0.3971 -0.3028 -0.2801 0.7818 0.7820 0.8175 0.8242 2.7485 2.7657 2.8367 2.8427 3.7701 3.7846 4.1619 4.1643 4.8772 4.8825 4.9597 4.9650 5.1263 5.1573 5.2623 5.2786 7.1838 7.2101 7.6264 7.6475 8.7859 8.8014 8.8231 8.8237 9.9354 9.9460 k = 0.3750 0.2697 0.7457 ( 6153 PWs) bands (ev): -6.1533 -6.1522 -5.9978 -5.9975 -5.0119 -5.0084 -4.9458 -4.9448 -1.7635 -1.7589 -1.5886 -1.5729 -0.8879 -0.8801 -0.8597 -0.8333 -0.8263 -0.7545 -0.7023 -0.6962 -0.5664 -0.5594 -0.5293 -0.5102 -0.5057 -0.4885 -0.4675 -0.4507 -0.4028 -0.3999 -0.3002 -0.2806 0.8136 0.8137 0.8479 0.8549 2.6892 2.7050 2.7788 2.7827 3.7965 3.8077 4.1809 4.1818 4.8663 4.8700 4.9519 4.9556 5.1293 5.1548 5.2950 5.3144 7.1128 7.1350 7.5991 7.6192 8.8485 8.8644 8.8971 8.8992 9.9157 9.9264 k = 0.3889 0.2797 0.7333 ( 6161 PWs) bands (ev): -6.1541 -6.1531 -5.9995 -5.9993 -5.0119 -5.0086 -4.9471 -4.9464 -1.7596 -1.7564 -1.5868 -1.5720 -0.8884 -0.8814 -0.8581 -0.8333 -0.8221 -0.7591 -0.7002 -0.6943 -0.5668 -0.5598 -0.5262 -0.5096 -0.5059 -0.4902 -0.4649 -0.4478 -0.4051 -0.4008 -0.2981 -0.2813 0.8456 0.8457 0.8789 0.8858 2.6347 2.6496 2.7242 2.7258 3.8214 3.8296 4.1857 4.1861 4.8572 4.8593 4.9454 4.9478 5.1268 5.1485 5.3260 5.3452 7.0571 7.0748 7.5715 7.5909 8.9119 8.9283 8.9714 8.9759 9.8939 9.9054 k = 0.4028 0.2897 0.7210 ( 6163 PWs) bands (ev): -6.1531 -6.1521 -6.0033 -6.0033 -5.0112 -5.0080 -4.9495 -4.9492 -1.7527 -1.7508 -1.5867 -1.5729 -0.8888 -0.8827 -0.8565 -0.8336 -0.8176 -0.7633 -0.6977 -0.6922 -0.5670 -0.5602 -0.5234 -0.5092 -0.5054 -0.4918 -0.4624 -0.4462 -0.4043 -0.3996 -0.2965 -0.2824 0.8770 0.8772 0.9096 0.9162 2.5861 2.6004 2.6731 2.6737 3.8441 3.8494 4.1779 4.1785 4.8498 4.8507 4.9407 4.9420 5.1196 5.1389 5.3489 5.3654 7.0214 7.0338 7.5441 7.5630 8.9757 8.9924 9.0458 9.0524 9.8694 9.8825 k = 0.4167 0.2996 0.7087 ( 6157 PWs) bands (ev): -6.1504 -6.1493 -6.0095 -6.0093 -5.0097 -5.0067 -4.9531 -4.9529 -1.7428 -1.7421 -1.5882 -1.5756 -0.8891 -0.8839 -0.8549 -0.8343 -0.8128 -0.7671 -0.6950 -0.6899 -0.5670 -0.5606 -0.5214 -0.5091 -0.5042 -0.4932 -0.4604 -0.4460 -0.3998 -0.3959 -0.2953 -0.2838 0.9070 0.9072 0.9391 0.9454 2.5443 2.5583 2.6255 2.6283 3.8638 3.8664 4.1592 4.1605 4.8442 4.8444 4.9380 4.9382 5.1086 5.1264 5.3579 5.3700 7.0094 7.0162 7.5171 7.5355 9.0394 9.0562 9.1193 9.1275 9.8414 9.8570 k = 0.4306 0.3096 0.6964 ( 6159 PWs) bands (ev): -6.1457 -6.1447 -6.0179 -6.0175 -5.0075 -5.0047 -4.9577 -4.9572 -1.7306 -1.7300 -1.5916 -1.5799 -0.8893 -0.8851 -0.8533 -0.8355 -0.8079 -0.7704 -0.6919 -0.6874 -0.5667 -0.5609 -0.5202 -0.5095 -0.5023 -0.4941 -0.4588 -0.4470 -0.3920 -0.3895 -0.2946 -0.2855 0.9348 0.9352 0.9667 0.9724 2.5102 2.5241 2.5837 2.5887 3.8799 3.8801 4.1312 4.1336 4.8399 4.8410 4.9364 4.9374 5.0948 5.1116 5.3492 5.3562 7.0229 7.0240 7.4907 7.5088 9.1024 9.1191 9.1907 9.1998 9.8095 9.8285 k = 0.4444 0.3196 0.6841 ( 6166 PWs) bands (ev): -6.1393 -6.1383 -6.0285 -6.0281 -5.0047 -5.0019 -4.9630 -4.9621 -1.7165 -1.7147 -1.5966 -1.5860 -0.8894 -0.8861 -0.8518 -0.8371 -0.8028 -0.7734 -0.6887 -0.6848 -0.5662 -0.5611 -0.5196 -0.5106 -0.4999 -0.4943 -0.4576 -0.4486 -0.3815 -0.3805 -0.2940 -0.2873 0.9600 0.9605 0.9916 0.9965 2.4847 2.4985 2.5485 2.5555 3.8900 3.8922 4.0956 4.0992 4.8379 4.8395 4.9360 4.9380 5.0794 5.0958 5.3220 5.3238 7.0570 7.0613 7.4652 7.4830 9.1644 9.1803 9.2585 9.2674 9.7738 9.7973 k = 0.4583 0.3296 0.6718 ( 6167 PWs) bands (ev): -6.1309 -6.1300 -6.0415 -6.0409 -5.0011 -4.9985 -4.9686 -4.9673 -1.7002 -1.6972 -1.6033 -1.5937 -0.8894 -0.8871 -0.8503 -0.8390 -0.7977 -0.7760 -0.6853 -0.6823 -0.5654 -0.5613 -0.5194 -0.5124 -0.4973 -0.4939 -0.4567 -0.4503 -0.3689 -0.3688 -0.2935 -0.2889 0.9820 0.9827 1.0132 1.0173 2.4681 2.4819 2.5201 2.5291 3.8959 3.9001 4.0535 4.0584 4.8375 4.8394 4.9355 4.9385 5.0645 5.0805 5.2755 5.2782 7.1126 7.1215 7.4405 7.4581 9.2247 9.2390 9.3198 9.3269 9.7357 9.7651 k = 0.4722 0.3396 0.6595 ( 6171 PWs) bands (ev): -6.1207 -6.1198 -6.0569 -6.0561 -4.9969 -4.9945 -4.9742 -4.9727 -1.6822 -1.6782 -1.6113 -1.6030 -0.8894 -0.8878 -0.8488 -0.8411 -0.7925 -0.7783 -0.6820 -0.6799 -0.5644 -0.5615 -0.5193 -0.5146 -0.4948 -0.4930 -0.4560 -0.4519 -0.3553 -0.3546 -0.2926 -0.2900 1.0008 1.0015 1.0312 1.0343 2.4608 2.4743 2.4991 2.5097 3.8977 3.9035 4.0063 4.0124 4.8376 4.8395 4.9329 4.9362 5.0526 5.0675 5.2165 5.2226 7.1867 7.1991 7.4171 7.4344 9.2828 9.2940 9.3698 9.3728 9.6993 9.7361 k = 0.4861 0.3496 0.6472 ( 6170 PWs) bands (ev): -6.1087 -6.1077 -6.0746 -6.0737 -4.9922 -4.9901 -4.9794 -4.9777 -1.6635 -1.6592 -1.6197 -1.6132 -0.8892 -0.8884 -0.8473 -0.8434 -0.7874 -0.7805 -0.6787 -0.6776 -0.5631 -0.5615 -0.5194 -0.5170 -0.4926 -0.4919 -0.4553 -0.4533 -0.3411 -0.3403 -0.2901 -0.2891 1.0162 1.0168 1.0458 1.0475 2.4626 2.4742 2.4868 2.4971 3.8947 3.9012 3.9560 3.9625 4.8352 4.8365 4.9267 4.9289 5.0448 5.0557 5.1566 5.1633 7.2742 7.2891 7.3953 7.4123 9.3373 9.3431 9.3971 9.3994 9.6738 9.7155 k = 0.5000 0.3596 0.6349 ( 6164 PWs) bands (ev): -6.0954 -6.0954 -6.0930 -6.0930 -4.9880 -4.9880 -4.9811 -4.9811 -1.6485 -1.6485 -1.6204 -1.6204 -0.8889 -0.8889 -0.8458 -0.8458 -0.7825 -0.7825 -0.6756 -0.6756 -0.5615 -0.5615 -0.5195 -0.5195 -0.4907 -0.4907 -0.4546 -0.4546 -0.3290 -0.3290 -0.2835 -0.2835 1.0286 1.0286 1.0574 1.0574 2.4727 2.4727 2.4913 2.4913 3.8819 3.8819 3.9150 3.9150 4.8245 4.8245 4.9168 4.9168 5.0320 5.0320 5.1185 5.1185 7.3658 7.3658 7.3965 7.3965 9.3750 9.3750 9.4045 9.4045 9.6700 9.6700 k = 0.5000 0.3596 0.6349 ( 6164 PWs) bands (ev): -6.0954 -6.0954 -6.0930 -6.0930 -4.9880 -4.9880 -4.9811 -4.9811 -1.6485 -1.6485 -1.6204 -1.6204 -0.8889 -0.8889 -0.8458 -0.8458 -0.7825 -0.7825 -0.6756 -0.6756 -0.5615 -0.5615 -0.5195 -0.5195 -0.4907 -0.4907 -0.4546 -0.4546 -0.3290 -0.3290 -0.2835 -0.2835 1.0286 1.0286 1.0574 1.0574 2.4727 2.4727 2.4913 2.4913 3.8819 3.8819 3.9150 3.9150 4.8245 4.8245 4.9168 4.9168 5.0320 5.0320 5.1185 5.1185 7.3658 7.3658 7.3965 7.3965 9.3750 9.3750 9.4045 9.4045 9.6700 9.6700 k = 0.5000 0.3596 0.6138 ( 6160 PWs) bands (ev): -6.1013 -6.1013 -6.0988 -6.0988 -4.9865 -4.9865 -4.9796 -4.9796 -1.6414 -1.6414 -1.6135 -1.6135 -0.8889 -0.8889 -0.8466 -0.8466 -0.7800 -0.7800 -0.6719 -0.6719 -0.5599 -0.5599 -0.5216 -0.5216 -0.4881 -0.4881 -0.4549 -0.4549 -0.3130 -0.3130 -0.2670 -0.2670 1.0479 1.0479 1.0750 1.0750 2.4819 2.4819 2.5010 2.5010 3.8264 3.8264 3.8604 3.8604 4.7911 4.7911 4.8903 4.8903 4.9876 4.9876 5.0810 5.0810 7.4354 7.4354 7.4669 7.4669 9.3647 9.3647 9.4081 9.4081 9.6201 9.6201 k = 0.5000 0.3596 0.5926 ( 6156 PWs) bands (ev): -6.1080 -6.1080 -6.1054 -6.1054 -4.9839 -4.9839 -4.9769 -4.9769 -1.6347 -1.6347 -1.6070 -1.6070 -0.8887 -0.8887 -0.8474 -0.8474 -0.7774 -0.7774 -0.6688 -0.6688 -0.5580 -0.5580 -0.5237 -0.5237 -0.4859 -0.4859 -0.4551 -0.4551 -0.2971 -0.2971 -0.2506 -0.2506 1.0699 1.0699 1.0952 1.0952 2.4914 2.4914 2.5111 2.5111 3.7715 3.7715 3.8064 3.8064 4.7543 4.7543 4.8551 4.8551 4.9525 4.9525 5.0469 5.0469 7.5061 7.5061 7.5384 7.5384 9.3176 9.3176 9.3677 9.3677 9.5893 9.5893 k = 0.5000 0.3596 0.5714 ( 6152 PWs) bands (ev): -6.1155 -6.1155 -6.1129 -6.1129 -4.9799 -4.9799 -4.9730 -4.9730 -1.6286 -1.6286 -1.6011 -1.6011 -0.8884 -0.8884 -0.8483 -0.8483 -0.7750 -0.7750 -0.6664 -0.6664 -0.5560 -0.5560 -0.5256 -0.5256 -0.4838 -0.4838 -0.4552 -0.4552 -0.2818 -0.2818 -0.2347 -0.2347 1.0949 1.0949 1.1183 1.1183 2.5011 2.5011 2.5213 2.5213 3.7180 3.7180 3.7536 3.7536 4.7148 4.7148 4.8122 4.8122 4.9263 4.9263 5.0164 5.0164 7.5768 7.5768 7.6098 7.6098 9.2477 9.2477 9.2966 9.2966 9.5655 9.5655 k = 0.5000 0.3596 0.5503 ( 6162 PWs) bands (ev): -6.1238 -6.1238 -6.1212 -6.1212 -4.9746 -4.9746 -4.9676 -4.9676 -1.6233 -1.6233 -1.5960 -1.5960 -0.8880 -0.8880 -0.8492 -0.8492 -0.7727 -0.7727 -0.6646 -0.6646 -0.5539 -0.5539 -0.5273 -0.5273 -0.4821 -0.4821 -0.4551 -0.4551 -0.2674 -0.2674 -0.2198 -0.2198 1.1230 1.1230 1.1446 1.1446 2.5109 2.5109 2.5316 2.5316 3.6667 3.6667 3.7029 3.7029 4.6736 4.6736 4.7656 4.7656 4.9057 4.9057 4.9890 4.9890 7.6461 7.6461 7.6797 7.6797 9.1666 9.1666 9.2122 9.2122 9.5348 9.5348 k = 0.5000 0.3596 0.5291 ( 6174 PWs) bands (ev): -6.1329 -6.1329 -6.1303 -6.1303 -4.9678 -4.9678 -4.9609 -4.9609 -1.6187 -1.6187 -1.5917 -1.5917 -0.8875 -0.8875 -0.8499 -0.8499 -0.7707 -0.7707 -0.6635 -0.6635 -0.5518 -0.5518 -0.5288 -0.5288 -0.4807 -0.4807 -0.4549 -0.4549 -0.2545 -0.2545 -0.2065 -0.2065 1.1544 1.1544 1.1743 1.1743 2.5206 2.5206 2.5417 2.5417 3.6185 3.6185 3.6551 3.6551 4.6316 4.6316 4.7184 4.7184 4.8881 4.8881 4.9645 4.9645 7.7125 7.7125 7.7465 7.7465 9.0812 9.0812 9.1232 9.1232 9.4929 9.4929 k = 0.5000 0.3596 0.5079 ( 6176 PWs) bands (ev): -6.1428 -6.1428 -6.1402 -6.1402 -4.9595 -4.9595 -4.9526 -4.9526 -1.6151 -1.6151 -1.5883 -1.5883 -0.8868 -0.8868 -0.8506 -0.8506 -0.7690 -0.7690 -0.6629 -0.6629 -0.5498 -0.5498 -0.5300 -0.5300 -0.4797 -0.4797 -0.4545 -0.4545 -0.2435 -0.2435 -0.1952 -0.1952 1.1891 1.1891 1.2075 1.2075 2.5301 2.5301 2.5515 2.5515 3.5739 3.5739 3.6107 3.6107 4.5897 4.5897 4.6721 4.6721 4.8724 4.8724 4.9424 4.9424 7.7741 7.7741 7.8084 7.8084 8.9954 8.9954 9.0342 9.0342 9.4406 9.4406 k = 0.5000 0.3596 0.4868 ( 6176 PWs) bands (ev): -6.1534 -6.1534 -6.1509 -6.1509 -4.9496 -4.9496 -4.9428 -4.9428 -1.6124 -1.6124 -1.5860 -1.5860 -0.8860 -0.8860 -0.8511 -0.8511 -0.7676 -0.7676 -0.6629 -0.6629 -0.5480 -0.5480 -0.5307 -0.5307 -0.4788 -0.4788 -0.4539 -0.4539 -0.2349 -0.2349 -0.1863 -0.1863 1.2271 1.2271 1.2444 1.2444 2.5392 2.5392 2.5609 2.5609 3.5336 3.5336 3.5702 3.5702 4.5485 4.5485 4.6277 4.6277 4.8580 4.8580 4.9224 4.9224 7.8290 7.8290 7.8631 7.8631 8.9118 8.9118 8.9478 8.9478 9.3801 9.3801 k = 0.5000 0.3596 0.4656 ( 6180 PWs) bands (ev): -6.1646 -6.1646 -6.1621 -6.1621 -4.9383 -4.9383 -4.9315 -4.9315 -1.6108 -1.6108 -1.5848 -1.5848 -0.8851 -0.8851 -0.8515 -0.8515 -0.7666 -0.7666 -0.6633 -0.6633 -0.5468 -0.5468 -0.5308 -0.5308 -0.4783 -0.4783 -0.4532 -0.4532 -0.2289 -0.2289 -0.1800 -0.1800 1.2683 1.2683 1.2850 1.2850 2.5479 2.5479 2.5697 2.5697 3.4979 3.4979 3.5342 3.5342 4.5087 4.5087 4.5856 4.5856 4.8449 4.8449 4.9044 4.9044 7.8747 7.8747 7.9079 7.9079 8.8328 8.8328 8.8664 8.8664 9.3144 9.3144 k = 0.5000 0.3596 0.4444 ( 6184 PWs) bands (ev): -6.1764 -6.1764 -6.1740 -6.1740 -4.9254 -4.9254 -4.9188 -4.9188 -1.6101 -1.6101 -1.5846 -1.5846 -0.8840 -0.8840 -0.8518 -0.8518 -0.7661 -0.7661 -0.6642 -0.6642 -0.5462 -0.5462 -0.5302 -0.5302 -0.4780 -0.4780 -0.4523 -0.4523 -0.2257 -0.2257 -0.1767 -0.1767 1.3124 1.3124 1.3292 1.3292 2.5561 2.5561 2.5778 2.5778 3.4674 3.4674 3.5029 3.5029 4.4706 4.4706 4.5460 4.5460 4.8331 4.8331 4.8883 4.8883 7.9085 7.9085 7.9401 7.9401 8.7597 8.7597 8.7918 8.7918 9.2465 9.2465 k = 0.5000 0.3596 0.4233 ( 6188 PWs) bands (ev): -6.1886 -6.1886 -6.1863 -6.1863 -4.9112 -4.9112 -4.9047 -4.9047 -1.6106 -1.6106 -1.5855 -1.5855 -0.8829 -0.8829 -0.8519 -0.8519 -0.7659 -0.7659 -0.6656 -0.6656 -0.5463 -0.5463 -0.5290 -0.5290 -0.4779 -0.4779 -0.4513 -0.4513 -0.2254 -0.2254 -0.1763 -0.1763 1.3593 1.3593 1.3767 1.3767 2.5636 2.5636 2.5852 2.5852 3.4420 3.4420 3.4765 3.4765 4.4346 4.4346 4.5091 4.5091 4.8226 4.8226 4.8741 4.8741 7.9278 7.9278 7.9569 7.9569 8.6933 8.6933 8.7252 8.7252 9.1797 9.1797 k = 0.5000 0.3596 0.4021 ( 6180 PWs) bands (ev): -6.2011 -6.2011 -6.1989 -6.1989 -4.8957 -4.8957 -4.8894 -4.8894 -1.6120 -1.6120 -1.5875 -1.5875 -0.8816 -0.8816 -0.8518 -0.8518 -0.7662 -0.7662 -0.6674 -0.6674 -0.5468 -0.5468 -0.5272 -0.5272 -0.4779 -0.4779 -0.4502 -0.4502 -0.2279 -0.2279 -0.1788 -0.1788 1.4085 1.4085 1.4271 1.4271 2.5706 2.5706 2.5918 2.5918 3.4220 3.4220 3.4550 3.4550 4.4010 4.4010 4.4751 4.4751 4.8136 4.8136 4.8617 4.8617 7.9310 7.9310 7.9569 7.9569 8.6328 8.6328 8.6663 8.6663 9.1174 9.1174 k = 0.5000 0.3596 0.3810 ( 6180 PWs) bands (ev): -6.2139 -6.2139 -6.2117 -6.2117 -4.8791 -4.8791 -4.8729 -4.8729 -1.6145 -1.6145 -1.5907 -1.5907 -0.8802 -0.8802 -0.8515 -0.8515 -0.7670 -0.7670 -0.6697 -0.6697 -0.5475 -0.5475 -0.5252 -0.5252 -0.4780 -0.4780 -0.4490 -0.4490 -0.2330 -0.2330 -0.1841 -0.1841 1.4598 1.4598 1.4799 1.4799 2.5768 2.5768 2.5976 2.5976 3.4072 3.4072 3.4387 3.4387 4.3699 4.3699 4.4438 4.4438 4.8062 4.8062 4.8513 4.8513 7.9178 7.9178 7.9404 7.9404 8.5761 8.5761 8.6123 8.6123 9.0630 9.0630 k = 0.5000 0.3596 0.3598 ( 6186 PWs) bands (ev): -6.2267 -6.2267 -6.2247 -6.2247 -4.8615 -4.8615 -4.8555 -4.8555 -1.6180 -1.6180 -1.5949 -1.5949 -0.8787 -0.8787 -0.8511 -0.8511 -0.7682 -0.7682 -0.6726 -0.6726 -0.5484 -0.5484 -0.5230 -0.5230 -0.4781 -0.4781 -0.4477 -0.4477 -0.2406 -0.2406 -0.1919 -0.1919 1.5126 1.5126 1.5345 1.5345 2.5824 2.5824 2.6026 2.6026 3.3975 3.3975 3.4272 3.4272 4.3415 4.3415 4.4154 4.4154 4.8006 4.8006 4.8429 4.8429 7.8901 7.8901 7.9098 7.9098 8.5202 8.5202 8.5587 8.5587 9.0190 9.0190 k = 0.5000 0.3596 0.3386 ( 6188 PWs) bands (ev): -6.2396 -6.2396 -6.2376 -6.2376 -4.8431 -4.8431 -4.8374 -4.8374 -1.6224 -1.6224 -1.6001 -1.6001 -0.8771 -0.8771 -0.8505 -0.8505 -0.7697 -0.7697 -0.6760 -0.6760 -0.5493 -0.5493 -0.5208 -0.5208 -0.4783 -0.4783 -0.4464 -0.4464 -0.2502 -0.2502 -0.2020 -0.2020 1.5665 1.5665 1.5902 1.5902 2.5873 2.5873 2.6069 2.6069 3.3925 3.3925 3.4206 3.4206 4.3159 4.3159 4.3897 4.3897 4.7969 4.7969 4.8365 4.8365 7.8509 7.8509 7.8687 7.8687 8.4620 8.4620 8.5015 8.5015 8.9860 8.9860 k = 0.5000 0.3596 0.3175 ( 6174 PWs) bands (ev): -6.2522 -6.2522 -6.2504 -6.2504 -4.8242 -4.8242 -4.8186 -4.8186 -1.6277 -1.6277 -1.6062 -1.6062 -0.8753 -0.8753 -0.8497 -0.8497 -0.7717 -0.7717 -0.6801 -0.6801 -0.5501 -0.5501 -0.5186 -0.5186 -0.4785 -0.4785 -0.4450 -0.4450 -0.2615 -0.2615 -0.2138 -0.2138 1.6209 1.6209 1.6463 1.6463 2.5914 2.5914 2.6105 2.6105 3.3918 3.3918 3.4186 3.4186 4.2930 4.2930 4.3666 4.3666 4.7953 4.7953 4.8323 4.8323 7.8042 7.8042 7.8208 7.8208 8.3998 8.3998 8.4388 8.4388 8.9620 8.9620 k = 0.5000 0.3596 0.2963 ( 6186 PWs) bands (ev): -6.2647 -6.2647 -6.2629 -6.2629 -4.8048 -4.8048 -4.7995 -4.7995 -1.6337 -1.6337 -1.6132 -1.6132 -0.8733 -0.8733 -0.8487 -0.8487 -0.7741 -0.7741 -0.6848 -0.6848 -0.5508 -0.5508 -0.5165 -0.5165 -0.4786 -0.4786 -0.4435 -0.4435 -0.2741 -0.2741 -0.2271 -0.2271 1.6752 1.6752 1.7022 1.7022 2.5948 2.5948 2.6135 2.6135 3.3949 3.3949 3.4209 3.4209 4.2729 4.2729 4.3460 4.3460 4.7959 4.7959 4.8304 4.8304 7.7534 7.7534 7.7692 7.7692 8.3336 8.3336 8.3710 8.3710 8.9434 8.9434 k = 0.5000 0.3596 0.2751 ( 6190 PWs) bands (ev): -6.2767 -6.2767 -6.2751 -6.2751 -4.7853 -4.7853 -4.7803 -4.7803 -1.6405 -1.6405 -1.6210 -1.6210 -0.8712 -0.8712 -0.8474 -0.8474 -0.7768 -0.7768 -0.6901 -0.6901 -0.5513 -0.5513 -0.5146 -0.5146 -0.4786 -0.4786 -0.4420 -0.4420 -0.2877 -0.2877 -0.2414 -0.2414 1.7288 1.7288 1.7573 1.7573 2.5974 2.5974 2.6159 2.6159 3.4014 3.4014 3.4271 3.4271 4.2556 4.2556 4.3277 4.3277 4.7987 4.7987 4.8307 4.8307 7.7014 7.7014 7.7166 7.7166 8.2642 8.2642 8.2996 8.2996 8.9262 8.9262 k = 0.5000 0.3596 0.2540 ( 6190 PWs) bands (ev): -6.2883 -6.2883 -6.2868 -6.2868 -4.7659 -4.7659 -4.7611 -4.7611 -1.6477 -1.6477 -1.6294 -1.6294 -0.8689 -0.8689 -0.8459 -0.8459 -0.7798 -0.7798 -0.6962 -0.6962 -0.5515 -0.5515 -0.5130 -0.5130 -0.4784 -0.4784 -0.4404 -0.4404 -0.3018 -0.3018 -0.2563 -0.2563 1.7811 1.7811 1.8108 1.8108 2.5991 2.5991 2.6175 2.6175 3.4109 3.4109 3.4369 3.4369 4.2408 4.2408 4.3114 4.3114 4.8037 4.8037 4.8333 4.8333 7.6503 7.6503 7.6649 7.6649 8.1930 8.1930 8.2263 8.2263 8.9069 8.9069 k = 0.5000 0.3596 0.2328 ( 6194 PWs) bands (ev): -6.2993 -6.2993 -6.2979 -6.2979 -4.7468 -4.7468 -4.7423 -4.7423 -1.6554 -1.6554 -1.6383 -1.6383 -0.8665 -0.8665 -0.8441 -0.8441 -0.7831 -0.7831 -0.7029 -0.7029 -0.5513 -0.5513 -0.5116 -0.5116 -0.4780 -0.4780 -0.4387 -0.4387 -0.3161 -0.3161 -0.2713 -0.2713 1.8318 1.8318 1.8622 1.8622 2.6000 2.6000 2.6184 2.6184 3.4229 3.4229 3.4495 3.4495 4.2286 4.2286 4.2970 4.2970 4.8109 4.8109 4.8381 4.8381 7.6017 7.6017 7.6158 7.6158 8.1212 8.1212 8.1525 8.1525 8.8830 8.8830 k = 0.5000 0.3596 0.2116 ( 6186 PWs) bands (ev): -6.3096 -6.3096 -6.3084 -6.3084 -4.7282 -4.7282 -4.7241 -4.7241 -1.6633 -1.6633 -1.6475 -1.6475 -0.8639 -0.8639 -0.8420 -0.8420 -0.7867 -0.7867 -0.7102 -0.7102 -0.5508 -0.5508 -0.5106 -0.5106 -0.4774 -0.4774 -0.4369 -0.4369 -0.3303 -0.3303 -0.2863 -0.2863 1.8802 1.8802 1.9110 1.9110 2.6000 2.6000 2.6185 2.6185 3.4370 3.4370 3.4643 3.4643 4.2187 4.2187 4.2842 4.2842 4.8202 4.8202 4.8450 4.8450 7.5569 7.5569 7.5705 7.5705 8.0499 8.0499 8.0795 8.0795 8.8528 8.8528 k = 0.5000 0.3596 0.1905 ( 6184 PWs) bands (ev): -6.3192 -6.3192 -6.3181 -6.3181 -4.7104 -4.7104 -4.7066 -4.7066 -1.6712 -1.6712 -1.6568 -1.6568 -0.8610 -0.8610 -0.8397 -0.8397 -0.7904 -0.7904 -0.7182 -0.7182 -0.5499 -0.5499 -0.5101 -0.5101 -0.4764 -0.4764 -0.4351 -0.4351 -0.3442 -0.3442 -0.3008 -0.3008 1.9260 1.9260 1.9567 1.9567 2.5991 2.5991 2.6177 2.6177 3.4528 3.4528 3.4805 3.4805 4.2108 4.2108 4.2727 4.2727 4.8313 4.8313 4.8538 4.8538 7.5169 7.5169 7.5299 7.5299 7.9800 7.9800 8.0079 8.0079 8.8159 8.8159 k = 0.5000 0.3596 0.1693 ( 6190 PWs) bands (ev): -6.3280 -6.3280 -6.3270 -6.3270 -4.6937 -4.6937 -4.6903 -4.6903 -1.6790 -1.6790 -1.6660 -1.6660 -0.8580 -0.8580 -0.8369 -0.8369 -0.7944 -0.7944 -0.7266 -0.7266 -0.5485 -0.5485 -0.5100 -0.5100 -0.4750 -0.4750 -0.4332 -0.4332 -0.3573 -0.3573 -0.3146 -0.3146 1.9687 1.9687 1.9989 1.9989 2.5975 2.5975 2.6159 2.6159 3.4697 3.4697 3.4973 3.4973 4.2050 4.2050 4.2624 4.2624 4.8438 4.8438 4.8640 4.8640 7.4824 7.4824 7.4949 7.4949 7.9122 7.9122 7.9387 7.9387 8.7731 8.7731 k = 0.5000 0.3596 0.1481 ( 6182 PWs) bands (ev): -6.3359 -6.3359 -6.3350 -6.3350 -4.6783 -4.6783 -4.6752 -4.6752 -1.6864 -1.6864 -1.6749 -1.6749 -0.8548 -0.8548 -0.8338 -0.8338 -0.7983 -0.7983 -0.7353 -0.7353 -0.5468 -0.5468 -0.5105 -0.5105 -0.4732 -0.4732 -0.4315 -0.4315 -0.3695 -0.3695 -0.3275 -0.3275 2.0082 2.0082 2.0370 2.0370 2.5952 2.5952 2.6132 2.6132 3.4872 3.4872 3.5141 3.5141 4.2008 4.2008 4.2531 4.2531 4.8573 4.8573 4.8752 4.8752 7.4540 7.4540 7.4661 7.4661 7.8472 7.8472 7.8724 7.8724 8.7261 8.7261 k = 0.5000 0.3596 0.1270 ( 6188 PWs) bands (ev): -6.3428 -6.3428 -6.3421 -6.3421 -4.6643 -4.6643 -4.6617 -4.6617 -1.6933 -1.6933 -1.6833 -1.6833 -0.8515 -0.8515 -0.8303 -0.8303 -0.8024 -0.8024 -0.7443 -0.7443 -0.5447 -0.5447 -0.5115 -0.5115 -0.4710 -0.4710 -0.4301 -0.4301 -0.3804 -0.3804 -0.3395 -0.3395 2.0439 2.0439 2.0708 2.0708 2.5925 2.5925 2.6097 2.6097 3.5046 3.5046 3.5299 3.5299 4.1983 4.1983 4.2445 4.2445 4.8712 4.8712 4.8869 4.8869 7.4321 7.4321 7.4439 7.4439 7.7857 7.7857 7.8094 7.8094 8.6777 8.6777 k = 0.5000 0.3596 0.1058 ( 6192 PWs) bands (ev): -6.3488 -6.3488 -6.3481 -6.3481 -4.6521 -4.6521 -4.6499 -4.6499 -1.6994 -1.6994 -1.6910 -1.6910 -0.8481 -0.8481 -0.8265 -0.8265 -0.8062 -0.8062 -0.7533 -0.7533 -0.5421 -0.5421 -0.5129 -0.5129 -0.4684 -0.4684 -0.4294 -0.4294 -0.3892 -0.3892 -0.3504 -0.3504 2.0756 2.0756 2.0998 2.0998 2.5897 2.5897 2.6055 2.6055 3.5213 3.5213 3.5442 3.5442 4.1970 4.1970 4.2367 4.2367 4.8849 4.8849 4.8984 4.8984 7.4170 7.4170 7.4286 7.4286 7.7285 7.7285 7.7506 7.7506 8.6309 8.6309 k = 0.5000 0.3596 0.0847 ( 6186 PWs) bands (ev): -6.3537 -6.3537 -6.3532 -6.3532 -4.6418 -4.6418 -4.6400 -4.6400 -1.7045 -1.7045 -1.6978 -1.6978 -0.8445 -0.8445 -0.8228 -0.8228 -0.8095 -0.8095 -0.7623 -0.7623 -0.5393 -0.5393 -0.5148 -0.5148 -0.4653 -0.4653 -0.4302 -0.4302 -0.3952 -0.3952 -0.3603 -0.3603 2.1030 2.1030 2.1237 2.1237 2.5870 2.5870 2.6009 2.6009 3.5366 3.5366 3.5562 3.5562 4.1971 4.1971 4.2295 4.2295 4.8978 4.8978 4.9088 4.9088 7.4088 7.4088 7.4200 7.4200 7.6764 7.6764 7.6968 7.6968 8.5887 8.5887 k = 0.5000 0.3596 0.0635 ( 6186 PWs) bands (ev): -6.3575 -6.3575 -6.3571 -6.3571 -4.6335 -4.6335 -4.6322 -4.6322 -1.7085 -1.7085 -1.7034 -1.7034 -0.8408 -0.8408 -0.8207 -0.8207 -0.8106 -0.8106 -0.7710 -0.7710 -0.5362 -0.5362 -0.5172 -0.5172 -0.4618 -0.4618 -0.4331 -0.4331 -0.3977 -0.3977 -0.3691 -0.3691 2.1256 2.1256 2.1420 2.1420 2.5850 2.5850 2.5962 2.5962 3.5500 3.5500 3.5654 3.5654 4.1982 4.1982 4.2230 4.2230 4.9090 4.9090 4.9175 4.9175 7.4069 7.4069 7.4176 7.4176 7.6312 7.6312 7.6490 7.6490 8.5535 8.5535 k = 0.5000 0.3596 0.0423 ( 6192 PWs) bands (ev): -6.3603 -6.3603 -6.3600 -6.3600 -4.6275 -4.6275 -4.6266 -4.6266 -1.7112 -1.7112 -1.7078 -1.7078 -0.8370 -0.8370 -0.8223 -0.8223 -0.8073 -0.8073 -0.7794 -0.7794 -0.5329 -0.5329 -0.5199 -0.5199 -0.4578 -0.4578 -0.4378 -0.4378 -0.3970 -0.3970 -0.3769 -0.3769 2.1430 2.1430 2.1545 2.1545 2.5839 2.5839 2.5918 2.5918 3.5608 3.5608 3.5714 3.5714 4.2003 4.2003 4.2170 4.2170 4.9180 4.9180 4.9238 4.9238 7.4104 7.4104 7.4195 7.4195 7.5950 7.5950 7.6091 7.6091 8.5275 8.5275 k = 0.5000 0.3596 0.0212 ( 6182 PWs) bands (ev): -6.3619 -6.3619 -6.3618 -6.3618 -4.6237 -4.6237 -4.6232 -4.6232 -1.7125 -1.7125 -1.7108 -1.7108 -0.8332 -0.8332 -0.8256 -0.8256 -0.8016 -0.8016 -0.7874 -0.7874 -0.5296 -0.5296 -0.5229 -0.5229 -0.4533 -0.4533 -0.4431 -0.4431 -0.3940 -0.3940 -0.3837 -0.3837 2.1549 2.1549 2.1608 2.1608 2.5840 2.5840 2.5881 2.5881 3.5686 3.5686 3.5740 3.5740 4.2033 4.2033 4.2117 4.2117 4.9243 4.9243 4.9272 4.9272 7.4168 7.4168 7.4225 7.4225 7.5718 7.5718 7.5801 7.5801 8.5119 8.5119 k = 0.5000 0.3596 0.0000 ( 6182 PWs) bands (ev): -6.3624 -6.3624 -6.3624 -6.3624 -4.6223 -4.6223 -4.6223 -4.6223 -1.7124 -1.7124 -1.7124 -1.7124 -0.8294 -0.8294 -0.8294 -0.8294 -0.7948 -0.7948 -0.7948 -0.7948 -0.5262 -0.5262 -0.5262 -0.5262 -0.4484 -0.4484 -0.4484 -0.4484 -0.3895 -0.3895 -0.3895 -0.3895 2.1609 2.1609 2.1609 2.1609 2.5854 2.5854 2.5854 2.5854 3.5731 3.5731 3.5731 3.5731 4.2071 4.2071 4.2071 4.2071 4.9274 4.9274 4.9274 4.9274 7.4220 7.4220 7.4220 7.4220 7.5664 7.5664 7.5664 7.5664 8.5075 8.5075 k = 0.0000 0.0000 0.8564 ( 6164 PWs) bands (ev): -6.0713 -6.0713 -6.0694 -6.0694 -4.9788 -4.9788 -4.9724 -4.9724 -1.7022 -1.7022 -1.6740 -1.6740 -0.8843 -0.8843 -0.8498 -0.8498 -0.7851 -0.7851 -0.7230 -0.7230 -0.5639 -0.5639 -0.5227 -0.5227 -0.4829 -0.4829 -0.4601 -0.4601 -0.4259 -0.4259 -0.3799 -0.3799 0.9456 0.9456 0.9826 0.9826 2.4201 2.4201 2.4350 2.4350 4.2538 4.2538 4.2758 4.2758 4.9710 4.9710 5.0155 5.0155 5.4282 5.4282 5.4575 5.4575 6.9395 6.9395 6.9637 6.9637 8.8259 8.8259 8.8358 8.8358 10.0579 10.0579 k = 0.0167 0.0120 0.8564 ( 6152 PWs) bands (ev): -6.0714 -6.0713 -6.0696 -6.0693 -4.9792 -4.9784 -4.9726 -4.9724 -1.7021 -1.7018 -1.6753 -1.6723 -0.8851 -0.8832 -0.8519 -0.8478 -0.7916 -0.7784 -0.7244 -0.7214 -0.5640 -0.5636 -0.5243 -0.5212 -0.4837 -0.4821 -0.4652 -0.4551 -0.4300 -0.4206 -0.3824 -0.3763 0.9415 0.9420 0.9778 0.9791 2.4263 2.4277 2.4395 2.4437 4.2492 4.2517 4.2716 4.2735 4.9699 4.9720 5.0151 5.0161 5.4166 5.4286 5.4518 5.4524 6.9443 6.9518 6.9713 6.9732 8.8232 8.8242 8.8330 8.8339 10.0555 10.0599 k = 0.0333 0.0240 0.8564 ( 6160 PWs) bands (ev): -6.0714 -6.0712 -6.0697 -6.0691 -4.9797 -4.9781 -4.9727 -4.9725 -1.7017 -1.7011 -1.6764 -1.6702 -0.8858 -0.8821 -0.8542 -0.8459 -0.7979 -0.7716 -0.7255 -0.7196 -0.5641 -0.5633 -0.5261 -0.5199 -0.4845 -0.4813 -0.4701 -0.4514 -0.4319 -0.4145 -0.3836 -0.3715 0.9301 0.9309 0.9649 0.9674 2.4460 2.4488 2.4567 2.4651 4.2379 4.2428 4.2610 4.2647 4.9688 4.9730 5.0148 5.0168 5.3948 5.4181 5.4357 5.4369 6.9658 6.9804 6.9954 6.9992 8.8160 8.8180 8.8255 8.8273 10.0529 10.0615 k = 0.0500 0.0360 0.8564 ( 6156 PWs) bands (ev): -6.0714 -6.0711 -6.0698 -6.0689 -4.9802 -4.9779 -4.9730 -4.9726 -1.7008 -1.7000 -1.6771 -1.6679 -0.8863 -0.8809 -0.8565 -0.8442 -0.8039 -0.7647 -0.7263 -0.7177 -0.5641 -0.5630 -0.5280 -0.5188 -0.4852 -0.4806 -0.4746 -0.4505 -0.4300 -0.4077 -0.3837 -0.3655 0.9121 0.9131 0.9449 0.9487 2.4783 2.4825 2.4859 2.4984 4.2199 4.2271 4.2439 4.2490 4.9678 4.9741 5.0146 5.0177 5.3647 5.3980 5.4109 5.4127 7.0027 7.0234 7.0344 7.0401 8.8043 8.8072 8.8130 8.8159 10.0502 10.0627 k = 0.0667 0.0479 0.8564 ( 6158 PWs) bands (ev): -6.0713 -6.0710 -6.0699 -6.0687 -4.9808 -4.9777 -4.9733 -4.9728 -1.6996 -1.6986 -1.6776 -1.6654 -0.8867 -0.8795 -0.8588 -0.8426 -0.8097 -0.7578 -0.7269 -0.7157 -0.5640 -0.5626 -0.5301 -0.5177 -0.4857 -0.4800 -0.4788 -0.4522 -0.4247 -0.4005 -0.3828 -0.3584 0.8889 0.8898 0.9190 0.9240 2.5218 2.5259 2.5274 2.5425 4.1949 4.2042 4.2204 4.2261 4.9670 4.9751 5.0146 5.0187 5.3288 5.3706 5.3797 5.3822 7.0528 7.0786 7.0862 7.0938 8.7879 8.7918 8.7956 8.7995 10.0479 10.0637 k = 0.0833 0.0599 0.8564 ( 6166 PWs) bands (ev): -6.0713 -6.0709 -6.0700 -6.0685 -4.9814 -4.9775 -4.9737 -4.9730 -1.6981 -1.6969 -1.6778 -1.6627 -0.8869 -0.8780 -0.8611 -0.8413 -0.8151 -0.7510 -0.7273 -0.7136 -0.5638 -0.5621 -0.5323 -0.5168 -0.4860 -0.4826 -0.4796 -0.4549 -0.4175 -0.3927 -0.3809 -0.3504 0.8618 0.8624 0.8888 0.8951 2.5750 2.5752 2.5821 2.5960 4.1629 4.1742 4.1904 4.1959 4.9663 4.9762 5.0149 5.0201 5.2897 5.3382 5.3445 5.3478 7.1135 7.1434 7.1483 7.1577 8.7667 8.7716 8.7730 8.7782 10.0460 10.0647 k = 0.1000 0.0719 0.8564 ( 6146 PWs) bands (ev): -6.0712 -6.0707 -6.0700 -6.0683 -4.9820 -4.9774 -4.9741 -4.9733 -1.6964 -1.6951 -1.6778 -1.6598 -0.8870 -0.8763 -0.8634 -0.8401 -0.8202 -0.7443 -0.7274 -0.7115 -0.5635 -0.5615 -0.5346 -0.5159 -0.4861 -0.4859 -0.4793 -0.4578 -0.4095 -0.3846 -0.3782 -0.3416 0.8323 0.8323 0.8560 0.8633 2.6322 2.6364 2.6450 2.6574 4.1238 4.1368 4.1539 4.1581 4.9660 4.9773 5.0155 5.0218 5.2499 5.3034 5.3077 5.3118 7.1823 7.2154 7.2180 7.2294 8.7406 8.7452 8.7466 8.7518 10.0451 10.0660 k = 0.1167 0.0839 0.8564 ( 6138 PWs) bands (ev): -6.0711 -6.0706 -6.0700 -6.0681 -4.9826 -4.9773 -4.9745 -4.9737 -1.6944 -1.6931 -1.6777 -1.6570 -0.8869 -0.8746 -0.8657 -0.8391 -0.8250 -0.7380 -0.7273 -0.7096 -0.5632 -0.5609 -0.5368 -0.5151 -0.4889 -0.4859 -0.4791 -0.4607 -0.4011 -0.3764 -0.3749 -0.3323 0.8009 0.8018 0.8220 0.8303 2.6953 2.7042 2.7144 2.7251 4.0778 4.0923 4.1112 4.1128 4.9661 4.9786 5.0163 5.0239 5.2114 5.2681 5.2712 5.2764 7.2566 7.2923 7.2931 7.3065 8.7098 8.7123 8.7168 8.7205 10.0455 10.0680 k = 0.1333 0.0959 0.8564 ( 6138 PWs) bands (ev): -6.0710 -6.0704 -6.0701 -6.0679 -4.9832 -4.9773 -4.9749 -4.9741 -1.6923 -1.6912 -1.6775 -1.6542 -0.8867 -0.8728 -0.8679 -0.8383 -0.8295 -0.7320 -0.7271 -0.7078 -0.5628 -0.5602 -0.5391 -0.5145 -0.4916 -0.4855 -0.4790 -0.4634 -0.3926 -0.3711 -0.3681 -0.3227 0.7697 0.7717 0.7882 0.7974 2.7628 2.7770 2.7889 2.7979 4.0254 4.0410 4.0604 4.0629 4.9667 4.9800 5.0174 5.0266 5.1757 5.2340 5.2365 5.2428 7.3340 7.3714 7.3719 7.3868 8.6744 8.6745 8.6825 8.6845 10.0473 10.0709 k = 0.1500 0.1079 0.8564 ( 6136 PWs) bands (ev): -6.0709 -6.0703 -6.0701 -6.0677 -4.9838 -4.9772 -4.9753 -4.9745 -1.6901 -1.6892 -1.6773 -1.6516 -0.8862 -0.8709 -0.8700 -0.8376 -0.8337 -0.7268 -0.7265 -0.7063 -0.5624 -0.5594 -0.5414 -0.5139 -0.4938 -0.4849 -0.4789 -0.4659 -0.3843 -0.3671 -0.3600 -0.3133 0.7399 0.7432 0.7559 0.7659 2.8329 2.8533 2.8669 2.8740 3.9674 3.9838 4.0017 4.0100 4.9681 4.9816 5.0188 5.0300 5.1440 5.2022 5.2046 5.2124 7.4122 7.4504 7.4520 7.4683 8.6325 8.6352 8.6445 8.6446 10.0506 10.0717 k = 0.1667 0.1199 0.8564 ( 6138 PWs) bands (ev): -6.0708 -6.0702 -6.0701 -6.0676 -4.9843 -4.9772 -4.9756 -4.9749 -1.6880 -1.6875 -1.6772 -1.6492 -0.8857 -0.8721 -0.8689 -0.8376 -0.8371 -0.7265 -0.7214 -0.7051 -0.5621 -0.5586 -0.5436 -0.5134 -0.4957 -0.4841 -0.4789 -0.4682 -0.3765 -0.3630 -0.3525 -0.3042 0.7125 0.7175 0.7264 0.7368 2.9037 2.9312 2.9466 2.9520 3.9049 3.9220 3.9380 3.9541 4.9703 4.9834 5.0200 5.0342 5.1172 5.1732 5.1760 5.1858 7.4886 7.5280 7.5302 7.5485 8.5873 8.5933 8.6017 8.6038 10.0554 10.0658 k = 0.1833 0.1318 0.8564 ( 6142 PWs) bands (ev): -6.0707 -6.0702 -6.0701 -6.0674 -4.9847 -4.9771 -4.9760 -4.9753 -1.6859 -1.6859 -1.6772 -1.6471 -0.8850 -0.8740 -0.8669 -0.8412 -0.8367 -0.7262 -0.7170 -0.7042 -0.5617 -0.5576 -0.5456 -0.5130 -0.4973 -0.4831 -0.4789 -0.4704 -0.3694 -0.3593 -0.3457 -0.2961 0.6886 0.6954 0.7006 0.7112 2.9725 3.0088 3.0261 3.0296 3.8399 3.8575 3.8713 3.8972 4.9735 4.9853 5.0204 5.0395 5.0962 5.1476 5.1509 5.1635 7.5603 7.6013 7.6039 7.6248 8.5406 8.5504 8.5578 8.5623 10.0614 10.0615 k = 0.2000 0.1438 0.8564 ( 6134 PWs) bands (ev): -6.0706 -6.0702 -6.0700 -6.0673 -4.9851 -4.9770 -4.9762 -4.9756 -1.6846 -1.6840 -1.6775 -1.6454 -0.8841 -0.8759 -0.8648 -0.8444 -0.8364 -0.7258 -0.7132 -0.7038 -0.5614 -0.5566 -0.5476 -0.5126 -0.4986 -0.4820 -0.4789 -0.4725 -0.3633 -0.3561 -0.3400 -0.2891 0.6691 0.6777 0.6795 0.6898 3.0361 3.0829 3.1021 3.1040 3.7755 3.7934 3.8046 3.8430 4.9778 4.9871 5.0188 5.0460 5.0823 5.1251 5.1294 5.1458 7.6240 7.6670 7.6695 7.6936 8.4954 8.5094 8.5154 8.5229 10.0586 10.0677 k = 0.2167 0.1558 0.8564 ( 6128 PWs) bands (ev): -6.0705 -6.0702 -6.0699 -6.0672 -4.9853 -4.9769 -4.9764 -4.9760 -1.6836 -1.6823 -1.6779 -1.6442 -0.8831 -0.8776 -0.8629 -0.8472 -0.8362 -0.7256 -0.7101 -0.7039 -0.5611 -0.5554 -0.5494 -0.5124 -0.4994 -0.4807 -0.4789 -0.4744 -0.3584 -0.3539 -0.3357 -0.2838 0.6546 0.6639 0.6653 0.6734 3.0895 3.1485 3.1694 3.1700 3.7167 3.7350 3.7432 3.7961 4.9833 4.9887 5.0138 5.0539 5.0766 5.1059 5.1113 5.1329 7.6752 7.7205 7.7226 7.7503 8.4559 8.4743 8.4788 8.4893 10.0568 10.0735 k = 0.2333 0.1678 0.8564 ( 6122 PWs) bands (ev): -6.0704 -6.0703 -6.0699 -6.0672 -4.9855 -4.9767 -4.9765 -4.9763 -1.6830 -1.6808 -1.6786 -1.6434 -0.8819 -0.8791 -0.8613 -0.8492 -0.8361 -0.7254 -0.7076 -0.7045 -0.5610 -0.5541 -0.5511 -0.5123 -0.5000 -0.4793 -0.4790 -0.4761 -0.3550 -0.3528 -0.3330 -0.2805 0.6457 0.6542 0.6584 0.6625 3.1262 3.1967 3.2190 3.2190 3.6725 3.6916 3.6962 3.7633 4.9899 4.9900 5.0062 5.0634 5.0783 5.0895 5.0966 5.1250 7.7089 7.7564 7.7576 7.7886 8.4280 8.4505 8.4528 8.4663 10.0559 10.0776 k = 0.2500 0.1798 0.8564 ( 6108 PWs) bands (ev): -6.0704 -6.0704 -6.0699 -6.0671 -4.9855 -4.9766 -4.9765 -4.9765 -1.6828 -1.6795 -1.6795 -1.6431 -0.8806 -0.8806 -0.8606 -0.8500 -0.8360 -0.7254 -0.7057 -0.7057 -0.5609 -0.5527 -0.5527 -0.5122 -0.5001 -0.4789 -0.4778 -0.4777 -0.3532 -0.3532 -0.3320 -0.2794 0.6427 0.6510 0.6575 0.6575 3.1395 3.2152 3.2379 3.2379 3.6554 3.6763 3.6763 3.7513 4.9903 4.9979 4.9979 5.0726 5.0780 5.0854 5.0855 5.1224 7.7208 7.7695 7.7695 7.8023 8.4178 8.4426 8.4426 8.4580 10.0556 10.0791 Writing output data file ZnGeAs2.save init_run : 4.24s CPU 13.97s WALL ( 1 calls) electrons : 952.40s CPU 961.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.65s WALL ( 1 calls) Called by electrons: c_bands : 952.36s CPU 960.81s WALL ( 1 calls) v_of_rho : 0.33s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.31s CPU 0.63s WALL ( 1 calls) newd : 0.25s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 275 calls) cegterg : 874.76s CPU 879.54s WALL ( 539 calls) Called by sum_band: Called by *egterg: h_psi : 524.48s CPU 531.27s WALL ( 8222 calls) s_psi : 28.88s CPU 29.17s WALL ( 8222 calls) g_psi : 0.87s CPU 0.87s WALL ( 7408 calls) cdiaghg : 244.55s CPU 242.85s WALL ( 7683 calls) cegterg:over : 63.74s CPU 62.00s WALL ( 7408 calls) cegterg:upda : 18.01s CPU 20.30s WALL ( 7408 calls) cegterg:last : 14.01s CPU 14.54s WALL ( 1386 calls) Called by h_psi: h_psi:vloc : 461.43s CPU 466.57s WALL ( 8222 calls) h_psi:vnl : 62.61s CPU 63.79s WALL ( 8222 calls) add_vuspsi : 21.44s CPU 24.10s WALL ( 8222 calls) General routines calbec : 41.13s CPU 39.61s WALL ( 8222 calls) fft : 0.30s CPU 1.50s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 436.47s CPU 439.29s WALL ( 1094684 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 3.29s WALL ( 550 calls) Parallel routines fft_scatter : 241.47s CPU 246.41s WALL ( 1094707 calls) PWSCF : 17m 5.17s CPU 20m11.38s WALL This run was terminated on: 16:29:23 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=