Program PWSCF v.5.1.1 starts on 28Aug2015 at 3:24:56 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: ./GeF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 39 25 7 1101 543 87 Max 40 26 8 1106 566 91 Sum 1917 1215 345 53021 26563 4213 bravais-lattice index = 14 lattice parameter (alat) = 8.9765 a.u. unit-cell volume = 556.7964 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.976481 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) 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 F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) F 7.00 18.99840 F( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 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) = ( 0.0086207 -0.0060957 0.0105581), wk = 0.0036364 k( 3) = ( 0.0172414 -0.0121915 0.0211163), wk = 0.0036364 k( 4) = ( 0.0258621 -0.0182872 0.0316744), wk = 0.0036364 k( 5) = ( 0.0344828 -0.0243830 0.0422326), wk = 0.0036364 k( 6) = ( 0.0431035 -0.0304787 0.0527907), wk = 0.0036364 k( 7) = ( 0.0517241 -0.0365745 0.0633489), wk = 0.0036364 k( 8) = ( 0.0603448 -0.0426702 0.0739070), wk = 0.0036364 k( 9) = ( 0.0689655 -0.0487660 0.0844652), wk = 0.0036364 k( 10) = ( 0.0775862 -0.0548617 0.0950233), wk = 0.0036364 k( 11) = ( 0.0862069 -0.0609575 0.1055815), wk = 0.0036364 k( 12) = ( 0.0948276 -0.0670532 0.1161396), wk = 0.0036364 k( 13) = ( 0.1034483 -0.0731490 0.1266978), wk = 0.0036364 k( 14) = ( 0.1120690 -0.0792447 0.1372559), wk = 0.0036364 k( 15) = ( 0.1206897 -0.0853405 0.1478140), wk = 0.0036364 k( 16) = ( 0.1293103 -0.0914362 0.1583722), wk = 0.0036364 k( 17) = ( 0.1379310 -0.0975320 0.1689303), wk = 0.0036364 k( 18) = ( 0.1465517 -0.1036277 0.1794885), wk = 0.0036364 k( 19) = ( 0.1551724 -0.1097235 0.1900466), wk = 0.0036364 k( 20) = ( 0.1637931 -0.1158192 0.2006048), wk = 0.0036364 k( 21) = ( 0.1724138 -0.1219150 0.2111629), wk = 0.0036364 k( 22) = ( 0.1810345 -0.1280107 0.2217211), wk = 0.0036364 k( 23) = ( 0.1896552 -0.1341065 0.2322792), wk = 0.0036364 k( 24) = ( 0.1982759 -0.1402022 0.2428373), wk = 0.0036364 k( 25) = ( 0.2068966 -0.1462980 0.2533955), wk = 0.0036364 k( 26) = ( 0.2155172 -0.1523937 0.2639536), wk = 0.0036364 k( 27) = ( 0.2241379 -0.1584895 0.2745118), wk = 0.0036364 k( 28) = ( 0.2327586 -0.1645852 0.2850699), wk = 0.0036364 k( 29) = ( 0.2413793 -0.1706809 0.2956281), wk = 0.0036364 k( 30) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0036364 k( 31) = ( 0.2586207 -0.1828724 0.3167444), wk = 0.0036364 k( 32) = ( 0.2672414 -0.1889682 0.3273025), wk = 0.0036364 k( 33) = ( 0.2758621 -0.1950639 0.3378607), wk = 0.0036364 k( 34) = ( 0.2844828 -0.2011597 0.3484188), wk = 0.0036364 k( 35) = ( 0.2931034 -0.2072554 0.3589769), wk = 0.0036364 k( 36) = ( 0.3017241 -0.2133512 0.3695351), wk = 0.0036364 k( 37) = ( 0.3103448 -0.2194469 0.3800932), wk = 0.0036364 k( 38) = ( 0.3189655 -0.2255427 0.3906514), wk = 0.0036364 k( 39) = ( 0.3275862 -0.2316384 0.4012095), wk = 0.0036364 k( 40) = ( 0.3362069 -0.2377342 0.4117677), wk = 0.0036364 k( 41) = ( 0.3448276 -0.2438299 0.4223258), wk = 0.0036364 k( 42) = ( 0.3534483 -0.2499257 0.4328840), wk = 0.0036364 k( 43) = ( 0.3620690 -0.2560214 0.4434421), wk = 0.0036364 k( 44) = ( 0.3706897 -0.2621172 0.4540003), wk = 0.0036364 k( 45) = ( 0.3793103 -0.2682129 0.4645584), wk = 0.0036364 k( 46) = ( 0.3879310 -0.2743087 0.4751165), wk = 0.0036364 k( 47) = ( 0.3965517 -0.2804044 0.4856747), wk = 0.0036364 k( 48) = ( 0.4051724 -0.2865002 0.4962328), wk = 0.0036364 k( 49) = ( 0.4137931 -0.2925959 0.5067910), wk = 0.0036364 k( 50) = ( 0.4224138 -0.2986917 0.5173491), wk = 0.0036364 k( 51) = ( 0.4310345 -0.3047874 0.5279073), wk = 0.0036364 k( 52) = ( 0.4396552 -0.3108832 0.5384654), wk = 0.0036364 k( 53) = ( 0.4482759 -0.3169789 0.5490236), wk = 0.0036364 k( 54) = ( 0.4568966 -0.3230746 0.5595817), wk = 0.0036364 k( 55) = ( 0.4655172 -0.3291704 0.5701399), wk = 0.0036364 k( 56) = ( 0.4741379 -0.3352661 0.5806980), wk = 0.0036364 k( 57) = ( 0.4827586 -0.3413619 0.5912561), wk = 0.0036364 k( 58) = ( 0.4913793 -0.3474576 0.6018143), wk = 0.0036364 k( 59) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0036364 k( 60) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0036364 k( 61) = ( 0.4878049 -0.3449301 0.6123724), wk = 0.0036364 k( 62) = ( 0.4756098 -0.3363069 0.6123724), wk = 0.0036364 k( 63) = ( 0.4634146 -0.3276836 0.6123724), wk = 0.0036364 k( 64) = ( 0.4512195 -0.3190604 0.6123724), wk = 0.0036364 k( 65) = ( 0.4390244 -0.3104371 0.6123724), wk = 0.0036364 k( 66) = ( 0.4268293 -0.3018139 0.6123724), wk = 0.0036364 k( 67) = ( 0.4146341 -0.2931906 0.6123724), wk = 0.0036364 k( 68) = ( 0.4024390 -0.2845674 0.6123724), wk = 0.0036364 k( 69) = ( 0.3902439 -0.2759441 0.6123724), wk = 0.0036364 k( 70) = ( 0.3780488 -0.2673209 0.6123724), wk = 0.0036364 k( 71) = ( 0.3658537 -0.2586976 0.6123724), wk = 0.0036364 k( 72) = ( 0.3536585 -0.2500744 0.6123724), wk = 0.0036364 k( 73) = ( 0.3414634 -0.2414511 0.6123724), wk = 0.0036364 k( 74) = ( 0.3292683 -0.2328278 0.6123724), wk = 0.0036364 k( 75) = ( 0.3170732 -0.2242046 0.6123724), wk = 0.0036364 k( 76) = ( 0.3048781 -0.2155813 0.6123724), wk = 0.0036364 k( 77) = ( 0.2926829 -0.2069581 0.6123724), wk = 0.0036364 k( 78) = ( 0.2804878 -0.1983348 0.6123724), wk = 0.0036364 k( 79) = ( 0.2682927 -0.1897116 0.6123724), wk = 0.0036364 k( 80) = ( 0.2560976 -0.1810883 0.6123724), wk = 0.0036364 k( 81) = ( 0.2439024 -0.1724651 0.6123724), wk = 0.0036364 k( 82) = ( 0.2317073 -0.1638418 0.6123724), wk = 0.0036364 k( 83) = ( 0.2195122 -0.1552186 0.6123724), wk = 0.0036364 k( 84) = ( 0.2073171 -0.1465953 0.6123724), wk = 0.0036364 k( 85) = ( 0.1951219 -0.1379721 0.6123724), wk = 0.0036364 k( 86) = ( 0.1829268 -0.1293488 0.6123724), wk = 0.0036364 k( 87) = ( 0.1707317 -0.1207255 0.6123724), wk = 0.0036364 k( 88) = ( 0.1585366 -0.1121023 0.6123724), wk = 0.0036364 k( 89) = ( 0.1463415 -0.1034790 0.6123724), wk = 0.0036364 k( 90) = ( 0.1341463 -0.0948558 0.6123724), wk = 0.0036364 k( 91) = ( 0.1219512 -0.0862325 0.6123724), wk = 0.0036364 k( 92) = ( 0.1097561 -0.0776093 0.6123724), wk = 0.0036364 k( 93) = ( 0.0975610 -0.0689860 0.6123724), wk = 0.0036364 k( 94) = ( 0.0853658 -0.0603628 0.6123724), wk = 0.0036364 k( 95) = ( 0.0731707 -0.0517395 0.6123724), wk = 0.0036364 k( 96) = ( 0.0609756 -0.0431163 0.6123724), wk = 0.0036364 k( 97) = ( 0.0487805 -0.0344930 0.6123724), wk = 0.0036364 k( 98) = ( 0.0365854 -0.0258698 0.6123724), wk = 0.0036364 k( 99) = ( 0.0243902 -0.0172465 0.6123724), wk = 0.0036364 k( 100) = ( 0.0121951 -0.0086233 0.6123724), wk = 0.0036364 k( 101) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0036364 k( 102) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0036364 k( 103) = ( 0.0000000 0.0000000 0.5974365), wk = 0.0036364 k( 104) = ( 0.0000000 0.0000000 0.5825006), wk = 0.0036364 k( 105) = ( 0.0000000 0.0000000 0.5675647), wk = 0.0036364 k( 106) = ( 0.0000000 0.0000000 0.5526288), wk = 0.0036364 k( 107) = ( 0.0000000 0.0000000 0.5376929), wk = 0.0036364 k( 108) = ( 0.0000000 0.0000000 0.5227570), wk = 0.0036364 k( 109) = ( 0.0000000 0.0000000 0.5078210), wk = 0.0036364 k( 110) = ( 0.0000000 0.0000000 0.4928851), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.4779492), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.4630133), wk = 0.0036364 k( 113) = ( 0.0000000 0.0000000 0.4480774), wk = 0.0036364 k( 114) = ( 0.0000000 0.0000000 0.4331415), wk = 0.0036364 k( 115) = ( 0.0000000 0.0000000 0.4182056), wk = 0.0036364 k( 116) = ( 0.0000000 0.0000000 0.4032696), wk = 0.0036364 k( 117) = ( 0.0000000 0.0000000 0.3883337), wk = 0.0036364 k( 118) = ( 0.0000000 0.0000000 0.3733978), wk = 0.0036364 k( 119) = ( 0.0000000 0.0000000 0.3584619), wk = 0.0036364 k( 120) = ( 0.0000000 0.0000000 0.3435260), wk = 0.0036364 k( 121) = ( 0.0000000 0.0000000 0.3285901), wk = 0.0036364 k( 122) = ( 0.0000000 0.0000000 0.3136542), wk = 0.0036364 k( 123) = ( 0.0000000 0.0000000 0.2987183), wk = 0.0036364 k( 124) = ( 0.0000000 0.0000000 0.2837824), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.2688464), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.2539105), wk = 0.0036364 k( 127) = ( 0.0000000 0.0000000 0.2389746), wk = 0.0036364 k( 128) = ( 0.0000000 0.0000000 0.2240387), wk = 0.0036364 k( 129) = ( 0.0000000 0.0000000 0.2091028), wk = 0.0036364 k( 130) = ( 0.0000000 0.0000000 0.1941669), wk = 0.0036364 k( 131) = ( 0.0000000 0.0000000 0.1792310), wk = 0.0036364 k( 132) = ( 0.0000000 0.0000000 0.1642950), wk = 0.0036364 k( 133) = ( 0.0000000 0.0000000 0.1493591), wk = 0.0036364 k( 134) = ( 0.0000000 0.0000000 0.1344232), wk = 0.0036364 k( 135) = ( 0.0000000 0.0000000 0.1194873), wk = 0.0036364 k( 136) = ( 0.0000000 0.0000000 0.1045514), wk = 0.0036364 k( 137) = ( 0.0000000 0.0000000 0.0896155), wk = 0.0036364 k( 138) = ( 0.0000000 0.0000000 0.0746796), wk = 0.0036364 k( 139) = ( 0.0000000 0.0000000 0.0597437), wk = 0.0036364 k( 140) = ( 0.0000000 0.0000000 0.0448077), wk = 0.0036364 k( 141) = ( 0.0000000 0.0000000 0.0298718), wk = 0.0036364 k( 142) = ( 0.0000000 0.0000000 0.0149359), wk = 0.0036364 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 145) = ( 0.0050000 0.0070711 0.0122474), wk = 0.0036364 k( 146) = ( 0.0100000 0.0141421 0.0244949), wk = 0.0036364 k( 147) = ( 0.0150000 0.0212132 0.0367423), wk = 0.0036364 k( 148) = ( 0.0200000 0.0282843 0.0489898), wk = 0.0036364 k( 149) = ( 0.0250000 0.0353553 0.0612372), wk = 0.0036364 k( 150) = ( 0.0300000 0.0424264 0.0734847), wk = 0.0036364 k( 151) = ( 0.0350000 0.0494975 0.0857321), wk = 0.0036364 k( 152) = ( 0.0400000 0.0565685 0.0979796), wk = 0.0036364 k( 153) = ( 0.0450000 0.0636396 0.1102270), wk = 0.0036364 k( 154) = ( 0.0500000 0.0707107 0.1224745), wk = 0.0036364 k( 155) = ( 0.0550000 0.0777817 0.1347219), wk = 0.0036364 k( 156) = ( 0.0600000 0.0848528 0.1469694), wk = 0.0036364 k( 157) = ( 0.0650000 0.0919239 0.1592168), wk = 0.0036364 k( 158) = ( 0.0700000 0.0989949 0.1714643), wk = 0.0036364 k( 159) = ( 0.0750000 0.1060660 0.1837117), wk = 0.0036364 k( 160) = ( 0.0800000 0.1131371 0.1959592), wk = 0.0036364 k( 161) = ( 0.0850000 0.1202082 0.2082066), wk = 0.0036364 k( 162) = ( 0.0900000 0.1272792 0.2204541), wk = 0.0036364 k( 163) = ( 0.0950000 0.1343503 0.2327015), wk = 0.0036364 k( 164) = ( 0.1000000 0.1414214 0.2449490), wk = 0.0036364 k( 165) = ( 0.1050000 0.1484924 0.2571964), wk = 0.0036364 k( 166) = ( 0.1100000 0.1555635 0.2694439), wk = 0.0036364 k( 167) = ( 0.1150000 0.1626346 0.2816913), wk = 0.0036364 k( 168) = ( 0.1200000 0.1697056 0.2939388), wk = 0.0036364 k( 169) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0036364 k( 170) = ( 0.1300000 0.1838478 0.3184337), wk = 0.0036364 k( 171) = ( 0.1350000 0.1909188 0.3306811), wk = 0.0036364 k( 172) = ( 0.1400000 0.1979899 0.3429286), wk = 0.0036364 k( 173) = ( 0.1450000 0.2050610 0.3551760), wk = 0.0036364 k( 174) = ( 0.1500000 0.2121320 0.3674235), wk = 0.0036364 k( 175) = ( 0.1550000 0.2192031 0.3796709), wk = 0.0036364 k( 176) = ( 0.1600000 0.2262742 0.3919184), wk = 0.0036364 k( 177) = ( 0.1650000 0.2333452 0.4041658), wk = 0.0036364 k( 178) = ( 0.1700000 0.2404163 0.4164133), wk = 0.0036364 k( 179) = ( 0.1750000 0.2474874 0.4286607), wk = 0.0036364 k( 180) = ( 0.1800000 0.2545584 0.4409082), wk = 0.0036364 k( 181) = ( 0.1850000 0.2616295 0.4531556), wk = 0.0036364 k( 182) = ( 0.1900000 0.2687006 0.4654031), wk = 0.0036364 k( 183) = ( 0.1950000 0.2757716 0.4776505), wk = 0.0036364 k( 184) = ( 0.2000000 0.2828427 0.4898979), wk = 0.0036364 k( 185) = ( 0.2050000 0.2899138 0.5021454), wk = 0.0036364 k( 186) = ( 0.2100000 0.2969848 0.5143928), wk = 0.0036364 k( 187) = ( 0.2150000 0.3040559 0.5266403), wk = 0.0036364 k( 188) = ( 0.2200000 0.3111270 0.5388877), wk = 0.0036364 k( 189) = ( 0.2250000 0.3181981 0.5511352), wk = 0.0036364 k( 190) = ( 0.2300000 0.3252691 0.5633826), wk = 0.0036364 k( 191) = ( 0.2350000 0.3323402 0.5756301), wk = 0.0036364 k( 192) = ( 0.2400000 0.3394113 0.5878775), wk = 0.0036364 k( 193) = ( 0.2450000 0.3464823 0.6001250), wk = 0.0036364 k( 194) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0036364 k( 195) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0036364 k( 196) = ( 0.2550000 0.3394113 0.6123724), wk = 0.0036364 k( 197) = ( 0.2600000 0.3252691 0.6123724), wk = 0.0036364 k( 198) = ( 0.2650000 0.3111270 0.6123724), wk = 0.0036364 k( 199) = ( 0.2700000 0.2969848 0.6123724), wk = 0.0036364 k( 200) = ( 0.2750000 0.2828427 0.6123724), wk = 0.0036364 k( 201) = ( 0.2800000 0.2687006 0.6123724), wk = 0.0036364 k( 202) = ( 0.2850000 0.2545584 0.6123724), wk = 0.0036364 k( 203) = ( 0.2900000 0.2404163 0.6123724), wk = 0.0036364 k( 204) = ( 0.2950000 0.2262742 0.6123724), wk = 0.0036364 k( 205) = ( 0.3000000 0.2121320 0.6123724), wk = 0.0036364 k( 206) = ( 0.3050000 0.1979899 0.6123724), wk = 0.0036364 k( 207) = ( 0.3100000 0.1838478 0.6123724), wk = 0.0036364 k( 208) = ( 0.3150000 0.1697056 0.6123724), wk = 0.0036364 k( 209) = ( 0.3200000 0.1555635 0.6123724), wk = 0.0036364 k( 210) = ( 0.3250000 0.1414214 0.6123724), wk = 0.0036364 k( 211) = ( 0.3300000 0.1272792 0.6123724), wk = 0.0036364 k( 212) = ( 0.3350000 0.1131371 0.6123724), wk = 0.0036364 k( 213) = ( 0.3400000 0.0989949 0.6123724), wk = 0.0036364 k( 214) = ( 0.3450000 0.0848528 0.6123724), wk = 0.0036364 k( 215) = ( 0.3500000 0.0707107 0.6123724), wk = 0.0036364 k( 216) = ( 0.3550000 0.0565685 0.6123724), wk = 0.0036364 k( 217) = ( 0.3600000 0.0424264 0.6123724), wk = 0.0036364 k( 218) = ( 0.3650000 0.0282843 0.6123724), wk = 0.0036364 k( 219) = ( 0.3700000 0.0141421 0.6123724), wk = 0.0036364 k( 220) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0036364 k( 221) = ( 0.3800000 -0.0141421 0.6123724), wk = 0.0036364 k( 222) = ( 0.3850000 -0.0282843 0.6123724), wk = 0.0036364 k( 223) = ( 0.3900000 -0.0424264 0.6123724), wk = 0.0036364 k( 224) = ( 0.3950000 -0.0565685 0.6123724), wk = 0.0036364 k( 225) = ( 0.4000000 -0.0707107 0.6123724), wk = 0.0036364 k( 226) = ( 0.4050000 -0.0848528 0.6123724), wk = 0.0036364 k( 227) = ( 0.4100000 -0.0989949 0.6123724), wk = 0.0036364 k( 228) = ( 0.4150000 -0.1131371 0.6123724), wk = 0.0036364 k( 229) = ( 0.4200000 -0.1272792 0.6123724), wk = 0.0036364 k( 230) = ( 0.4250000 -0.1414214 0.6123724), wk = 0.0036364 k( 231) = ( 0.4300000 -0.1555635 0.6123724), wk = 0.0036364 k( 232) = ( 0.4350000 -0.1697056 0.6123724), wk = 0.0036364 k( 233) = ( 0.4400000 -0.1838478 0.6123724), wk = 0.0036364 k( 234) = ( 0.4450000 -0.1979899 0.6123724), wk = 0.0036364 k( 235) = ( 0.4500000 -0.2121320 0.6123724), wk = 0.0036364 k( 236) = ( 0.4550000 -0.2262742 0.6123724), wk = 0.0036364 k( 237) = ( 0.4600000 -0.2404163 0.6123724), wk = 0.0036364 k( 238) = ( 0.4650000 -0.2545584 0.6123724), wk = 0.0036364 k( 239) = ( 0.4700000 -0.2687006 0.6123724), wk = 0.0036364 k( 240) = ( 0.4750000 -0.2828427 0.6123724), wk = 0.0036364 k( 241) = ( 0.4800000 -0.2969848 0.6123724), wk = 0.0036364 k( 242) = ( 0.4850000 -0.3111270 0.6123724), wk = 0.0036364 k( 243) = ( 0.4900000 -0.3252691 0.6123724), wk = 0.0036364 k( 244) = ( 0.4950000 -0.3394113 0.6123724), wk = 0.0036364 k( 245) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0036364 k( 246) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0036364 k( 247) = ( 0.2413793 0.3413619 0.6123724), wk = 0.0036364 k( 248) = ( 0.2327586 0.3291704 0.6123724), wk = 0.0036364 k( 249) = ( 0.2241379 0.3169789 0.6123724), wk = 0.0036364 k( 250) = ( 0.2155172 0.3047874 0.6123724), wk = 0.0036364 k( 251) = ( 0.2068966 0.2925959 0.6123724), wk = 0.0036364 k( 252) = ( 0.1982759 0.2804044 0.6123724), wk = 0.0036364 k( 253) = ( 0.1896552 0.2682129 0.6123724), wk = 0.0036364 k( 254) = ( 0.1810345 0.2560214 0.6123724), wk = 0.0036364 k( 255) = ( 0.1724138 0.2438299 0.6123724), wk = 0.0036364 k( 256) = ( 0.1637931 0.2316384 0.6123724), wk = 0.0036364 k( 257) = ( 0.1551724 0.2194469 0.6123724), wk = 0.0036364 k( 258) = ( 0.1465517 0.2072554 0.6123724), wk = 0.0036364 k( 259) = ( 0.1379310 0.1950639 0.6123724), wk = 0.0036364 k( 260) = ( 0.1293103 0.1828724 0.6123724), wk = 0.0036364 k( 261) = ( 0.1206897 0.1706810 0.6123724), wk = 0.0036364 k( 262) = ( 0.1120690 0.1584895 0.6123724), wk = 0.0036364 k( 263) = ( 0.1034483 0.1462980 0.6123724), wk = 0.0036364 k( 264) = ( 0.0948276 0.1341065 0.6123724), wk = 0.0036364 k( 265) = ( 0.0862069 0.1219150 0.6123724), wk = 0.0036364 k( 266) = ( 0.0775862 0.1097235 0.6123724), wk = 0.0036364 k( 267) = ( 0.0689655 0.0975320 0.6123724), wk = 0.0036364 k( 268) = ( 0.0603448 0.0853405 0.6123724), wk = 0.0036364 k( 269) = ( 0.0517241 0.0731490 0.6123724), wk = 0.0036364 k( 270) = ( 0.0431035 0.0609575 0.6123724), wk = 0.0036364 k( 271) = ( 0.0344828 0.0487660 0.6123724), wk = 0.0036364 k( 272) = ( 0.0258621 0.0365745 0.6123724), wk = 0.0036364 k( 273) = ( 0.0172414 0.0243830 0.6123724), wk = 0.0036364 k( 274) = ( 0.0086207 0.0121915 0.6123724), wk = 0.0036364 k( 275) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0086207 -0.0086207 0.0086207), wk = 0.0036364 k( 3) = ( 0.0172414 -0.0172414 0.0172414), wk = 0.0036364 k( 4) = ( 0.0258621 -0.0258621 0.0258621), wk = 0.0036364 k( 5) = ( 0.0344828 -0.0344828 0.0344828), wk = 0.0036364 k( 6) = ( 0.0431035 -0.0431035 0.0431035), wk = 0.0036364 k( 7) = ( 0.0517241 -0.0517241 0.0517241), wk = 0.0036364 k( 8) = ( 0.0603448 -0.0603448 0.0603448), wk = 0.0036364 k( 9) = ( 0.0689655 -0.0689655 0.0689655), wk = 0.0036364 k( 10) = ( 0.0775862 -0.0775862 0.0775862), wk = 0.0036364 k( 11) = ( 0.0862069 -0.0862069 0.0862069), wk = 0.0036364 k( 12) = ( 0.0948276 -0.0948276 0.0948276), wk = 0.0036364 k( 13) = ( 0.1034483 -0.1034483 0.1034483), wk = 0.0036364 k( 14) = ( 0.1120690 -0.1120690 0.1120690), wk = 0.0036364 k( 15) = ( 0.1206897 -0.1206897 0.1206897), wk = 0.0036364 k( 16) = ( 0.1293103 -0.1293103 0.1293103), wk = 0.0036364 k( 17) = ( 0.1379310 -0.1379310 0.1379310), wk = 0.0036364 k( 18) = ( 0.1465517 -0.1465517 0.1465517), wk = 0.0036364 k( 19) = ( 0.1551724 -0.1551724 0.1551724), wk = 0.0036364 k( 20) = ( 0.1637931 -0.1637931 0.1637931), wk = 0.0036364 k( 21) = ( 0.1724138 -0.1724138 0.1724138), wk = 0.0036364 k( 22) = ( 0.1810345 -0.1810345 0.1810345), wk = 0.0036364 k( 23) = ( 0.1896552 -0.1896552 0.1896552), wk = 0.0036364 k( 24) = ( 0.1982759 -0.1982759 0.1982759), wk = 0.0036364 k( 25) = ( 0.2068966 -0.2068966 0.2068966), wk = 0.0036364 k( 26) = ( 0.2155172 -0.2155172 0.2155172), wk = 0.0036364 k( 27) = ( 0.2241379 -0.2241379 0.2241379), wk = 0.0036364 k( 28) = ( 0.2327586 -0.2327586 0.2327586), wk = 0.0036364 k( 29) = ( 0.2413793 -0.2413793 0.2413793), wk = 0.0036364 k( 30) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0036364 k( 31) = ( 0.2586207 -0.2586207 0.2586207), wk = 0.0036364 k( 32) = ( 0.2672414 -0.2672414 0.2672414), wk = 0.0036364 k( 33) = ( 0.2758621 -0.2758621 0.2758621), wk = 0.0036364 k( 34) = ( 0.2844828 -0.2844828 0.2844828), wk = 0.0036364 k( 35) = ( 0.2931034 -0.2931035 0.2931034), wk = 0.0036364 k( 36) = ( 0.3017241 -0.3017241 0.3017241), wk = 0.0036364 k( 37) = ( 0.3103448 -0.3103448 0.3103448), wk = 0.0036364 k( 38) = ( 0.3189655 -0.3189655 0.3189655), wk = 0.0036364 k( 39) = ( 0.3275862 -0.3275862 0.3275862), wk = 0.0036364 k( 40) = ( 0.3362069 -0.3362069 0.3362069), wk = 0.0036364 k( 41) = ( 0.3448276 -0.3448276 0.3448276), wk = 0.0036364 k( 42) = ( 0.3534483 -0.3534483 0.3534483), wk = 0.0036364 k( 43) = ( 0.3620690 -0.3620690 0.3620690), wk = 0.0036364 k( 44) = ( 0.3706897 -0.3706897 0.3706897), wk = 0.0036364 k( 45) = ( 0.3793103 -0.3793103 0.3793103), wk = 0.0036364 k( 46) = ( 0.3879310 -0.3879310 0.3879310), wk = 0.0036364 k( 47) = ( 0.3965517 -0.3965517 0.3965517), wk = 0.0036364 k( 48) = ( 0.4051724 -0.4051724 0.4051724), wk = 0.0036364 k( 49) = ( 0.4137931 -0.4137931 0.4137931), wk = 0.0036364 k( 50) = ( 0.4224138 -0.4224138 0.4224138), wk = 0.0036364 k( 51) = ( 0.4310345 -0.4310345 0.4310345), wk = 0.0036364 k( 52) = ( 0.4396552 -0.4396552 0.4396552), wk = 0.0036364 k( 53) = ( 0.4482759 -0.4482759 0.4482759), wk = 0.0036364 k( 54) = ( 0.4568966 -0.4568965 0.4568965), wk = 0.0036364 k( 55) = ( 0.4655172 -0.4655172 0.4655172), wk = 0.0036364 k( 56) = ( 0.4741379 -0.4741379 0.4741379), wk = 0.0036364 k( 57) = ( 0.4827586 -0.4827586 0.4827586), wk = 0.0036364 k( 58) = ( 0.4913793 -0.4913793 0.4913793), wk = 0.0036364 k( 59) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036364 k( 60) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036364 k( 61) = ( 0.4878049 -0.4878049 0.5000000), wk = 0.0036364 k( 62) = ( 0.4756098 -0.4756098 0.5000000), wk = 0.0036364 k( 63) = ( 0.4634146 -0.4634146 0.5000000), wk = 0.0036364 k( 64) = ( 0.4512195 -0.4512195 0.5000000), wk = 0.0036364 k( 65) = ( 0.4390244 -0.4390244 0.5000000), wk = 0.0036364 k( 66) = ( 0.4268293 -0.4268293 0.5000000), wk = 0.0036364 k( 67) = ( 0.4146341 -0.4146342 0.5000000), wk = 0.0036364 k( 68) = ( 0.4024390 -0.4024390 0.5000000), wk = 0.0036364 k( 69) = ( 0.3902439 -0.3902439 0.5000000), wk = 0.0036364 k( 70) = ( 0.3780488 -0.3780488 0.5000000), wk = 0.0036364 k( 71) = ( 0.3658537 -0.3658537 0.5000000), wk = 0.0036364 k( 72) = ( 0.3536585 -0.3536585 0.5000000), wk = 0.0036364 k( 73) = ( 0.3414634 -0.3414634 0.5000000), wk = 0.0036364 k( 74) = ( 0.3292683 -0.3292683 0.5000000), wk = 0.0036364 k( 75) = ( 0.3170732 -0.3170732 0.5000000), wk = 0.0036364 k( 76) = ( 0.3048781 -0.3048781 0.5000000), wk = 0.0036364 k( 77) = ( 0.2926829 -0.2926829 0.5000000), wk = 0.0036364 k( 78) = ( 0.2804878 -0.2804878 0.5000000), wk = 0.0036364 k( 79) = ( 0.2682927 -0.2682927 0.5000000), wk = 0.0036364 k( 80) = ( 0.2560976 -0.2560976 0.5000000), wk = 0.0036364 k( 81) = ( 0.2439024 -0.2439024 0.5000000), wk = 0.0036364 k( 82) = ( 0.2317073 -0.2317073 0.5000000), wk = 0.0036364 k( 83) = ( 0.2195122 -0.2195122 0.5000000), wk = 0.0036364 k( 84) = ( 0.2073171 -0.2073171 0.5000000), wk = 0.0036364 k( 85) = ( 0.1951219 -0.1951219 0.5000000), wk = 0.0036364 k( 86) = ( 0.1829268 -0.1829268 0.5000000), wk = 0.0036364 k( 87) = ( 0.1707317 -0.1707317 0.5000000), wk = 0.0036364 k( 88) = ( 0.1585366 -0.1585366 0.5000000), wk = 0.0036364 k( 89) = ( 0.1463415 -0.1463415 0.5000000), wk = 0.0036364 k( 90) = ( 0.1341463 -0.1341463 0.5000000), wk = 0.0036364 k( 91) = ( 0.1219512 -0.1219512 0.5000000), wk = 0.0036364 k( 92) = ( 0.1097561 -0.1097561 0.5000000), wk = 0.0036364 k( 93) = ( 0.0975610 -0.0975610 0.5000000), wk = 0.0036364 k( 94) = ( 0.0853658 -0.0853658 0.5000000), wk = 0.0036364 k( 95) = ( 0.0731707 -0.0731707 0.5000000), wk = 0.0036364 k( 96) = ( 0.0609756 -0.0609756 0.5000000), wk = 0.0036364 k( 97) = ( 0.0487805 -0.0487805 0.5000000), wk = 0.0036364 k( 98) = ( 0.0365854 -0.0365854 0.5000000), wk = 0.0036364 k( 99) = ( 0.0243902 -0.0243902 0.5000000), wk = 0.0036364 k( 100) = ( 0.0121951 -0.0121951 0.5000000), wk = 0.0036364 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 103) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0036364 k( 104) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0036364 k( 105) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0036364 k( 106) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0036364 k( 107) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0036364 k( 108) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0036364 k( 109) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0036364 k( 110) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0036364 k( 113) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0036364 k( 114) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0036364 k( 115) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0036364 k( 116) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0036364 k( 117) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0036364 k( 118) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0036364 k( 119) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0036364 k( 120) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0036364 k( 121) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0036364 k( 122) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0036364 k( 123) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0036364 k( 124) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0036364 k( 127) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0036364 k( 128) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0036364 k( 129) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0036364 k( 130) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0036364 k( 131) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0036364 k( 132) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0036364 k( 133) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0036364 k( 134) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0036364 k( 135) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0036364 k( 136) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0036364 k( 137) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0036364 k( 138) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0036364 k( 139) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0036364 k( 140) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0036364 k( 141) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0036364 k( 142) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0036364 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 145) = ( 0.0050000 0.0050000 0.0050000), wk = 0.0036364 k( 146) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0036364 k( 147) = ( 0.0150000 0.0150000 0.0150000), wk = 0.0036364 k( 148) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0036364 k( 149) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0036364 k( 150) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0036364 k( 151) = ( 0.0350000 0.0350000 0.0350000), wk = 0.0036364 k( 152) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0036364 k( 153) = ( 0.0450000 0.0450000 0.0450000), wk = 0.0036364 k( 154) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0036364 k( 155) = ( 0.0550000 0.0550000 0.0550000), wk = 0.0036364 k( 156) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0036364 k( 157) = ( 0.0650000 0.0650000 0.0650000), wk = 0.0036364 k( 158) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0036364 k( 159) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0036364 k( 160) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0036364 k( 161) = ( 0.0850000 0.0850000 0.0850000), wk = 0.0036364 k( 162) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0036364 k( 163) = ( 0.0950000 0.0950000 0.0950000), wk = 0.0036364 k( 164) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036364 k( 165) = ( 0.1050000 0.1050000 0.1050000), wk = 0.0036364 k( 166) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0036364 k( 167) = ( 0.1150000 0.1150000 0.1150000), wk = 0.0036364 k( 168) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0036364 k( 169) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0036364 k( 170) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0036364 k( 171) = ( 0.1350000 0.1350000 0.1350000), wk = 0.0036364 k( 172) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0036364 k( 173) = ( 0.1450000 0.1450000 0.1450000), wk = 0.0036364 k( 174) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0036364 k( 175) = ( 0.1550000 0.1550000 0.1550000), wk = 0.0036364 k( 176) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0036364 k( 177) = ( 0.1650000 0.1650000 0.1650000), wk = 0.0036364 k( 178) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0036364 k( 179) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0036364 k( 180) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0036364 k( 181) = ( 0.1850000 0.1850000 0.1850000), wk = 0.0036364 k( 182) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0036364 k( 183) = ( 0.1950000 0.1950000 0.1950000), wk = 0.0036364 k( 184) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036364 k( 185) = ( 0.2050000 0.2050000 0.2050000), wk = 0.0036364 k( 186) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0036364 k( 187) = ( 0.2150000 0.2150000 0.2150000), wk = 0.0036364 k( 188) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0036364 k( 189) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0036364 k( 190) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0036364 k( 191) = ( 0.2350000 0.2350000 0.2350000), wk = 0.0036364 k( 192) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0036364 k( 193) = ( 0.2450000 0.2450000 0.2450000), wk = 0.0036364 k( 194) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 195) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 196) = ( 0.2550000 0.2350000 0.2550000), wk = 0.0036364 k( 197) = ( 0.2600000 0.2200000 0.2600000), wk = 0.0036364 k( 198) = ( 0.2650000 0.2050000 0.2650000), wk = 0.0036364 k( 199) = ( 0.2700000 0.1900000 0.2700000), wk = 0.0036364 k( 200) = ( 0.2750000 0.1750000 0.2750000), wk = 0.0036364 k( 201) = ( 0.2800000 0.1600000 0.2800000), wk = 0.0036364 k( 202) = ( 0.2850000 0.1450000 0.2850000), wk = 0.0036364 k( 203) = ( 0.2900000 0.1300000 0.2900000), wk = 0.0036364 k( 204) = ( 0.2950000 0.1150000 0.2950000), wk = 0.0036364 k( 205) = ( 0.3000000 0.1000000 0.3000000), wk = 0.0036364 k( 206) = ( 0.3050000 0.0850000 0.3050000), wk = 0.0036364 k( 207) = ( 0.3100000 0.0700000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3150000 0.0550000 0.3150000), wk = 0.0036364 k( 209) = ( 0.3200000 0.0400000 0.3200000), wk = 0.0036364 k( 210) = ( 0.3250000 0.0250000 0.3250000), wk = 0.0036364 k( 211) = ( 0.3300000 0.0100000 0.3300000), wk = 0.0036364 k( 212) = ( 0.3350000 -0.0050000 0.3350000), wk = 0.0036364 k( 213) = ( 0.3400000 -0.0200000 0.3400000), wk = 0.0036364 k( 214) = ( 0.3450000 -0.0350000 0.3450000), wk = 0.0036364 k( 215) = ( 0.3500000 -0.0500000 0.3500000), wk = 0.0036364 k( 216) = ( 0.3550000 -0.0650000 0.3550000), wk = 0.0036364 k( 217) = ( 0.3600000 -0.0800000 0.3600000), wk = 0.0036364 k( 218) = ( 0.3650000 -0.0950000 0.3650000), wk = 0.0036364 k( 219) = ( 0.3700000 -0.1100000 0.3700000), wk = 0.0036364 k( 220) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0036364 k( 221) = ( 0.3800000 -0.1400000 0.3800000), wk = 0.0036364 k( 222) = ( 0.3850000 -0.1550000 0.3850000), wk = 0.0036364 k( 223) = ( 0.3900000 -0.1700000 0.3900000), wk = 0.0036364 k( 224) = ( 0.3950000 -0.1850000 0.3950000), wk = 0.0036364 k( 225) = ( 0.4000000 -0.2000000 0.4000000), wk = 0.0036364 k( 226) = ( 0.4050000 -0.2150000 0.4050000), wk = 0.0036364 k( 227) = ( 0.4100000 -0.2300000 0.4100000), wk = 0.0036364 k( 228) = ( 0.4150000 -0.2450000 0.4150000), wk = 0.0036364 k( 229) = ( 0.4200000 -0.2600000 0.4200000), wk = 0.0036364 k( 230) = ( 0.4250000 -0.2750000 0.4250000), wk = 0.0036364 k( 231) = ( 0.4300000 -0.2900000 0.4300000), wk = 0.0036364 k( 232) = ( 0.4350000 -0.3050000 0.4350000), wk = 0.0036364 k( 233) = ( 0.4400000 -0.3200000 0.4400000), wk = 0.0036364 k( 234) = ( 0.4450000 -0.3350000 0.4450000), wk = 0.0036364 k( 235) = ( 0.4500000 -0.3500000 0.4500000), wk = 0.0036364 k( 236) = ( 0.4550000 -0.3650000 0.4550000), wk = 0.0036364 k( 237) = ( 0.4600000 -0.3800000 0.4600000), wk = 0.0036364 k( 238) = ( 0.4650000 -0.3950000 0.4650000), wk = 0.0036364 k( 239) = ( 0.4700000 -0.4100000 0.4700000), wk = 0.0036364 k( 240) = ( 0.4750000 -0.4250000 0.4750000), wk = 0.0036364 k( 241) = ( 0.4800000 -0.4400000 0.4800000), wk = 0.0036364 k( 242) = ( 0.4850000 -0.4550000 0.4850000), wk = 0.0036364 k( 243) = ( 0.4900000 -0.4700000 0.4900000), wk = 0.0036364 k( 244) = ( 0.4950000 -0.4850000 0.4950000), wk = 0.0036364 k( 245) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036364 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 247) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0036364 k( 248) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0036364 k( 249) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0036364 k( 250) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0036364 k( 251) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0036364 k( 252) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0036364 k( 253) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0036364 k( 254) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0036364 k( 255) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0036364 k( 256) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0036364 k( 257) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0036364 k( 258) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0036364 k( 259) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0036364 k( 260) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0036364 k( 261) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0036364 k( 262) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0036364 k( 263) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0036364 k( 264) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0036364 k( 265) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0036364 k( 266) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0036364 k( 267) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0036364 k( 268) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0036364 k( 269) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0036364 k( 270) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0036364 k( 271) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0036364 k( 272) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0036364 k( 273) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0036364 k( 274) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0036364 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 Dense grid: 53021 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 26563 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 144, 40) NL pseudopotentials 0.08 Mb ( 72, 70) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1104) G-vector shells 0.00 Mb ( 276) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 144, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.09 Mb ( 70, 2, 40) The potential is recalculated from file : ./GeF4.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.8 secs Computing kpt #: 2 total cpu time spent up to now is 39.8 secs Computing kpt #: 3 total cpu time spent up to now is 40.8 secs Computing kpt #: 4 total cpu time spent up to now is 41.8 secs Computing kpt #: 5 total cpu time spent up to now is 42.7 secs Computing kpt #: 6 total cpu time spent up to now is 43.7 secs Computing kpt #: 7 total cpu time spent up to now is 44.5 secs Computing kpt #: 8 total cpu time spent up to now is 45.3 secs Computing kpt #: 9 total cpu time spent up to now is 46.1 secs Computing kpt #: 10 total cpu time spent up to now is 46.8 secs Computing kpt #: 11 total cpu time spent up to now is 47.6 secs Computing kpt #: 12 total cpu time spent up to now is 48.4 secs Computing kpt #: 13 total cpu time spent up to now is 49.1 secs Computing kpt 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59.8 secs Computing kpt #: 30 total cpu time spent up to now is 60.5 secs Computing kpt #: 31 total cpu time spent up to now is 61.2 secs Computing kpt #: 32 total cpu time spent up to now is 62.0 secs Computing kpt #: 33 total cpu time spent up to now is 62.6 secs Computing kpt #: 34 total cpu time spent up to now is 63.2 secs Computing kpt #: 35 total cpu time spent up to now is 63.8 secs Computing kpt #: 36 total cpu time spent up to now is 64.4 secs Computing kpt #: 37 total cpu time spent up to now is 65.0 secs Computing kpt #: 38 total cpu time spent up to now is 65.7 secs Computing kpt #: 39 total cpu time spent up to now is 66.3 secs Computing kpt #: 40 total cpu time spent up to now is 66.9 secs Computing kpt #: 41 total cpu time spent up to now is 67.8 secs Computing kpt #: 42 total cpu time spent up to now is 68.4 secs Computing kpt #: 43 total cpu time spent up to now is 69.2 secs Computing kpt #: 44 total cpu time spent up to now is 70.0 secs Computing kpt #: 45 total cpu time spent up to now is 70.9 secs Computing kpt #: 46 total cpu time spent up to now is 71.6 secs Computing kpt #: 47 total cpu time spent up to now is 72.6 secs Computing kpt #: 48 total cpu time spent up to now is 73.3 secs Computing kpt #: 49 total cpu time spent up to now is 74.2 secs Computing kpt #: 50 total cpu time spent up to now is 75.0 secs Computing kpt #: 51 total cpu time spent up to now is 75.9 secs Computing kpt #: 52 total cpu time spent up to now is 76.7 secs Computing kpt #: 53 total cpu time spent up to now is 77.4 secs Computing kpt #: 54 total cpu time spent up to now is 78.0 secs Computing kpt #: 55 total cpu time spent up to now is 78.6 secs Computing kpt #: 56 total cpu time spent up to now is 79.2 secs Computing kpt #: 57 total cpu time spent up to now is 79.8 secs Computing kpt #: 58 total cpu time spent up to now is 80.5 secs Computing kpt #: 59 total cpu time spent up to now is 81.1 secs Computing kpt #: 60 total cpu time spent up to now is 81.7 secs Computing kpt #: 61 total cpu time spent up to now is 82.4 secs Computing kpt #: 62 total cpu time spent up to now is 83.1 secs Computing kpt #: 63 total cpu time spent up to now is 83.8 secs Computing kpt #: 64 total cpu time spent up to now is 84.4 secs Computing kpt #: 65 total cpu time spent up to now is 85.0 secs Computing kpt #: 66 total cpu time spent up to now is 85.6 secs Computing kpt #: 67 total cpu time spent up to now is 86.2 secs Computing kpt #: 68 total cpu time spent up to now is 86.8 secs Computing kpt #: 69 total cpu time spent up to now is 87.5 secs Computing kpt #: 70 total cpu time spent up to now is 88.4 secs Computing kpt #: 71 total cpu time spent up to now is 89.0 secs Computing kpt #: 72 total cpu time spent up to now is 89.7 secs Computing kpt #: 73 total cpu time spent up to now is 90.3 secs Computing kpt #: 74 total cpu time spent up to now is 91.0 secs Computing kpt #: 75 total cpu time spent up to now is 91.7 secs Computing kpt #: 76 total cpu time spent up to now is 92.3 secs Computing kpt #: 77 total cpu time spent up to now is 92.9 secs Computing kpt #: 78 total cpu time spent up to now is 93.6 secs Computing kpt #: 79 total cpu time spent up to now is 94.2 secs Computing kpt #: 80 total cpu time spent up to now is 94.8 secs Computing kpt #: 81 total cpu time spent up to now is 95.6 secs Computing kpt #: 82 total cpu time spent up to now is 96.4 secs Computing kpt #: 83 total cpu time spent up to now is 97.3 secs Computing kpt #: 84 total cpu time spent up to now is 98.0 secs Computing kpt #: 85 total cpu time spent up to now is 98.8 secs Computing kpt #: 86 total cpu time spent up to now is 99.6 secs Computing kpt #: 87 total cpu time spent up to now is 100.4 secs Computing kpt #: 88 total cpu time spent up to now is 101.1 secs Computing kpt #: 89 total cpu time spent up to now is 101.9 secs Computing kpt #: 90 total cpu time spent up to now is 102.7 secs Computing kpt #: 91 total cpu time spent up to now is 103.4 secs Computing kpt #: 92 total cpu time spent up to now is 104.4 secs Computing kpt #: 93 total cpu time spent up to now is 106.1 secs Computing kpt #: 94 total cpu time spent up to now is 106.9 secs Computing kpt #: 95 total cpu time spent up to now is 107.6 secs Computing kpt #: 96 total cpu time spent up to now is 108.3 secs Computing kpt #: 97 total cpu time spent up to now is 109.0 secs Computing kpt #: 98 total cpu time spent up to now is 109.7 secs Computing kpt #: 99 total cpu time spent up to now is 110.6 secs Computing kpt #: 100 total cpu time spent up to now is 111.4 secs Computing kpt #: 101 total cpu time spent up to now is 112.0 secs Computing kpt #: 102 total cpu time spent up to now is 112.7 secs Computing kpt #: 103 total cpu time spent up to now is 113.4 secs Computing kpt #: 104 total cpu time spent up to now is 114.1 secs Computing kpt #: 105 total cpu time spent up to now is 114.9 secs Computing kpt #: 106 total cpu time spent up to now is 115.5 secs Computing kpt #: 107 total cpu time spent up to now is 116.3 secs Computing kpt #: 108 total cpu time spent up to now is 117.0 secs Computing kpt #: 109 total cpu time spent up to now is 117.8 secs Computing kpt #: 110 total cpu time spent up to now is 118.5 secs Computing kpt #: 111 total cpu time spent up to now is 119.3 secs Computing kpt #: 112 total cpu time spent up to now is 120.1 secs Computing kpt #: 113 total cpu time spent up to now is 120.9 secs Computing kpt #: 114 total cpu time spent up to now is 121.7 secs Computing kpt #: 115 total cpu time spent up to now is 122.7 secs Computing kpt #: 116 total cpu time spent up to now is 123.6 secs Computing kpt #: 117 total cpu time spent up to now is 124.5 secs Computing kpt #: 118 total cpu time spent up to now is 125.4 secs Computing kpt #: 119 total cpu time spent up to now is 126.2 secs Computing kpt #: 120 total cpu time spent up to now is 127.1 secs Computing kpt #: 121 total cpu time spent up to now is 128.0 secs Computing kpt #: 122 total cpu time 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to now is 144.7 secs Computing kpt #: 138 total cpu time spent up to now is 145.7 secs Computing kpt #: 139 total cpu time spent up to now is 146.7 secs Computing kpt #: 140 total cpu time spent up to now is 147.7 secs Computing kpt #: 141 total cpu time spent up to now is 148.9 secs Computing kpt #: 142 total cpu time spent up to now is 149.9 secs Computing kpt #: 143 total cpu time spent up to now is 150.5 secs Computing kpt #: 144 total cpu time spent up to now is 151.1 secs Computing kpt #: 145 total cpu time spent up to now is 152.1 secs Computing kpt #: 146 total cpu time spent up to now is 153.1 secs Computing kpt #: 147 total cpu time spent up to now is 154.2 secs Computing kpt #: 148 total cpu time spent up to now is 155.2 secs Computing kpt #: 149 total cpu time spent up to now is 156.1 secs Computing kpt #: 150 total cpu time spent up to now is 157.0 secs Computing kpt #: 151 total cpu time spent up to now is 157.9 secs Computing kpt #: 152 total cpu time spent up to now is 158.8 secs Computing kpt #: 153 total cpu time spent up to now is 159.8 secs Computing kpt #: 154 total cpu time spent up to now is 160.7 secs Computing kpt #: 155 total cpu time spent up to now is 162.0 secs Computing kpt #: 156 total cpu time spent up to now is 162.9 secs Computing kpt #: 157 total cpu time spent up to now is 163.9 secs Computing kpt #: 158 total cpu time spent up to now is 164.9 secs Computing kpt #: 159 total cpu time spent up to now is 166.0 secs Computing kpt #: 160 total cpu time spent up to now is 166.9 secs Computing kpt #: 161 total cpu time spent up to now is 167.7 secs Computing kpt #: 162 total cpu time spent up to now is 168.6 secs Computing kpt #: 163 total cpu time spent up to now is 169.4 secs Computing kpt #: 164 total cpu time spent up to now is 170.3 secs Computing kpt #: 165 total cpu time spent up to now is 171.1 secs Computing kpt #: 166 total cpu time spent up to now is 171.8 secs Computing kpt #: 167 total cpu time spent up to now is 172.6 secs Computing kpt #: 168 total cpu time spent up to now is 173.8 secs Computing kpt #: 169 total cpu time spent up to now is 174.7 secs Computing kpt #: 170 total cpu time spent up to now is 175.3 secs Computing kpt #: 171 total cpu time spent up to now is 176.0 secs Computing kpt #: 172 total cpu time spent up to now is 176.6 secs Computing kpt #: 173 total cpu time spent up to now is 177.3 secs Computing kpt #: 174 total cpu time spent up to now is 178.0 secs Computing kpt #: 175 total cpu time spent up to now is 178.6 secs Computing kpt #: 176 total cpu time spent up to now is 179.6 secs Computing kpt #: 177 total cpu time spent up to now is 180.4 secs Computing kpt #: 178 total cpu time spent up to now is 181.0 secs Computing kpt #: 179 total cpu time spent up to now is 181.6 secs Computing kpt #: 180 total cpu time spent up to now is 182.4 secs Computing kpt #: 181 total cpu time spent up to now is 183.0 secs Computing kpt #: 182 total cpu time spent up to now is 183.8 secs Computing kpt #: 183 total cpu time spent up to now is 184.9 secs Computing kpt #: 184 total cpu time spent up to now is 185.8 secs Computing kpt #: 185 total cpu time spent up to now is 186.5 secs Computing kpt #: 186 total cpu time spent up to now is 187.1 secs Computing kpt #: 187 total cpu time spent up to now is 187.6 secs Computing kpt #: 188 total cpu time spent up to now is 188.5 secs Computing kpt #: 189 total cpu time spent up to now is 189.1 secs Computing kpt #: 190 total cpu time spent up to now is 189.8 secs Computing kpt #: 191 total cpu time spent up to now is 190.5 secs Computing kpt #: 192 total cpu time spent up to now is 191.1 secs Computing kpt #: 193 total cpu time spent up to now is 191.9 secs Computing kpt #: 194 total cpu time spent up to now is 192.8 secs Computing kpt #: 195 total cpu time spent up to now is 193.4 secs Computing kpt #: 196 total cpu time spent up to now is 194.0 secs Computing kpt #: 197 total cpu time spent up to now is 194.6 secs Computing kpt #: 198 total cpu time spent up to now is 195.2 secs Computing kpt #: 199 total cpu time spent up to now is 195.8 secs Computing kpt #: 200 total cpu time spent up to now is 196.4 secs Computing kpt #: 201 total cpu time spent up to now is 197.2 secs Computing kpt #: 202 total cpu time spent up to now is 197.9 secs Computing kpt #: 203 total cpu time spent up to now is 198.5 secs Computing kpt #: 204 total cpu time spent up to now is 199.4 secs Computing kpt #: 205 total cpu time spent up to now is 200.0 secs Computing kpt #: 206 total cpu time spent up to now is 200.8 secs Computing kpt #: 207 total cpu time spent up to now is 201.5 secs Computing kpt #: 208 total cpu time spent up to now is 202.2 secs Computing kpt #: 209 total cpu time spent up to now is 202.8 secs Computing kpt #: 210 total cpu time spent up to now is 203.4 secs Computing kpt #: 211 total cpu time spent up to now is 204.0 secs Computing kpt #: 212 total cpu time spent up to now is 204.6 secs Computing kpt #: 213 total cpu time spent up to now is 205.3 secs Computing kpt #: 214 total cpu time spent up to now is 206.1 secs Computing kpt #: 215 total cpu time spent up to now is 206.8 secs Computing kpt #: 216 total cpu time spent up to now is 207.4 secs Computing kpt #: 217 total cpu time spent up to now is 208.1 secs Computing kpt #: 218 total cpu time spent up to now is 208.8 secs Computing kpt #: 219 total cpu time spent up to now is 209.4 secs Computing kpt #: 220 total cpu time spent up to now is 210.0 secs Computing kpt #: 221 total cpu time spent up to now is 210.6 secs Computing kpt #: 222 total cpu time spent up to now is 211.3 secs Computing kpt #: 223 total cpu time spent up to now is 212.1 secs Computing kpt #: 224 total cpu time spent up to now is 212.7 secs Computing kpt #: 225 total cpu time spent up to now is 213.4 secs Computing kpt #: 226 total cpu time spent up to now is 214.0 secs Computing kpt #: 227 total cpu time spent up to now is 214.6 secs Computing kpt #: 228 total cpu time spent up to now is 215.2 secs Computing kpt #: 229 total cpu time spent up to now is 215.9 secs Computing kpt #: 230 total cpu time spent up to now is 216.6 secs Computing kpt #: 231 total cpu time spent up to now is 217.3 secs Computing kpt #: 232 total cpu time spent up to now is 218.3 secs Computing kpt #: 233 total cpu time spent up to now is 218.9 secs Computing kpt #: 234 total cpu time spent up to now is 219.5 secs Computing kpt #: 235 total cpu time spent up to now is 220.1 secs Computing kpt #: 236 total cpu time spent up to now is 220.7 secs Computing kpt #: 237 total cpu time spent up to now is 221.3 secs Computing kpt #: 238 total cpu time spent up to now is 221.9 secs Computing kpt #: 239 total cpu time spent up to now is 222.6 secs Computing kpt #: 240 total cpu time spent up to now is 223.3 secs Computing kpt #: 241 total cpu time spent up to now is 224.1 secs Computing kpt #: 242 total cpu time spent up to now is 224.7 secs Computing kpt #: 243 total cpu time spent up to now is 225.7 secs Computing kpt #: 244 total cpu time spent up to now is 226.6 secs Computing kpt #: 245 total cpu time spent up to now is 227.3 secs Computing kpt #: 246 total cpu time spent up to now is 227.9 secs Computing kpt #: 247 total cpu time spent up to now is 228.5 secs Computing kpt #: 248 total cpu time spent up to now is 229.1 secs Computing kpt #: 249 total cpu time spent up to now is 229.7 secs Computing kpt #: 250 total cpu time spent up to now is 230.3 secs Computing kpt #: 251 total cpu time spent up to now is 230.8 secs Computing kpt #: 252 total cpu time spent up to now is 231.6 secs Computing kpt #: 253 total cpu time spent up to now is 232.2 secs Computing kpt #: 254 total cpu time spent up to now is 232.9 secs Computing kpt #: 255 total cpu time spent up to now is 233.5 secs Computing kpt #: 256 total cpu time spent up to now is 234.2 secs Computing kpt #: 257 total cpu time spent up to now is 234.8 secs Computing kpt #: 258 total cpu time spent up to now is 235.4 secs Computing kpt #: 259 total cpu time spent up to now is 236.0 secs Computing kpt #: 260 total cpu time spent up to now is 236.7 secs Computing kpt #: 261 total cpu time spent up to now is 237.4 secs Computing kpt #: 262 total cpu time spent up to now is 238.1 secs Computing kpt #: 263 total cpu time spent up to now is 238.9 secs Computing kpt #: 264 total cpu time spent up to now is 240.2 secs Computing kpt #: 265 total cpu time spent up to now is 240.9 secs Computing kpt #: 266 total cpu time spent up to now is 241.6 secs Computing kpt #: 267 total cpu time spent up to now is 242.2 secs Computing kpt #: 268 total cpu time spent up to now is 242.8 secs Computing kpt #: 269 total cpu time spent up to now is 243.4 secs Computing kpt #: 270 total cpu time spent up to now is 244.3 secs Computing kpt #: 271 total cpu time spent up to now is 245.0 secs Computing kpt #: 272 total cpu time spent up to now is 245.6 secs Computing kpt #: 273 total cpu time spent up to now is 246.4 secs Computing kpt #: 274 total cpu time spent up to now is 247.1 secs Computing kpt #: 275 total cpu time spent up to now is 248.1 secs ethr = 3.13E-11, avg # of iterations = 19.6 total cpu time spent up to now is 248.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3367 PWs) bands (ev): -24.2711 -24.2711 -23.1236 -23.1236 -23.1079 -23.1079 -23.1079 -23.1079 -8.3164 -8.3164 -6.3283 -6.3283 -6.2759 -6.2759 -6.2759 -6.2759 -3.6739 -3.6739 -3.6558 -3.6558 -3.6558 -3.6558 -3.6275 -3.6275 -3.6275 -3.6275 -3.5007 -3.5007 -3.4368 -3.4368 -3.4368 -3.4368 3.3209 3.3209 9.1653 9.1653 10.2154 10.2154 10.3917 10.3917 k = 0.0086-0.0061 0.0106 ( 3347 PWs) bands (ev): -24.2709 -24.2709 -23.1237 -23.1237 -23.1080 -23.1080 -23.1079 -23.1079 -8.3171 -8.3171 -6.3277 -6.3277 -6.2755 -6.2755 -6.2752 -6.2752 -3.6798 -3.6798 -3.6632 -3.6632 -3.6492 -3.6492 -3.6334 -3.6334 -3.6151 -3.6151 -3.5009 -3.5009 -3.4374 -3.4374 -3.4369 -3.4369 3.3229 3.3229 9.1647 9.1647 10.2141 10.2141 10.3899 10.3899 k = 0.0172-0.0122 0.0211 ( 3347 PWs) bands (ev): -24.2703 -24.2703 -23.1239 -23.1239 -23.1082 -23.1082 -23.1082 -23.1082 -8.3191 -8.3191 -6.3259 -6.3259 -6.2741 -6.2741 -6.2729 -6.2729 -3.6963 -3.6963 -3.6648 -3.6648 -3.6463 -3.6463 -3.6367 -3.6367 -3.5979 -3.5979 -3.5015 -3.5015 -3.4390 -3.4390 -3.4372 -3.4372 3.3289 3.3289 9.1630 9.1630 10.2104 10.2104 10.3846 10.3846 k = 0.0259-0.0183 0.0317 ( 3347 PWs) bands (ev): -24.2693 -24.2693 -23.1243 -23.1243 -23.1087 -23.1087 -23.1085 -23.1085 -8.3225 -8.3225 -6.3230 -6.3230 -6.2719 -6.2719 -6.2692 -6.2692 -3.7163 -3.7163 -3.6644 -3.6644 -3.6456 -3.6456 -3.6391 -3.6391 -3.5788 -3.5788 -3.5025 -3.5025 -3.4417 -3.4417 -3.4377 -3.4377 3.3390 3.3390 9.1600 9.1600 10.2041 10.2041 10.3756 10.3756 k = 0.0345-0.0244 0.0422 ( 3347 PWs) bands (ev): -24.2680 -24.2680 -23.1249 -23.1249 -23.1093 -23.1093 -23.1090 -23.1090 -8.3271 -8.3271 -6.3190 -6.3190 -6.2689 -6.2689 -6.2640 -6.2640 -3.7374 -3.7374 -3.6637 -3.6637 -3.6481 -3.6481 -3.6390 -3.6390 -3.5592 -3.5592 -3.5039 -3.5039 -3.4452 -3.4452 -3.4383 -3.4383 3.3529 3.3529 9.1558 9.1558 10.1949 10.1949 10.3632 10.3632 k = 0.0431-0.0305 0.0528 ( 3347 PWs) bands (ev): -24.2663 -24.2663 -23.1256 -23.1256 -23.1100 -23.1100 -23.1097 -23.1097 -8.3330 -8.3330 -6.3140 -6.3140 -6.2649 -6.2649 -6.2572 -6.2572 -3.7592 -3.7592 -3.6641 -3.6641 -3.6521 -3.6521 -3.6371 -3.6371 -3.5396 -3.5396 -3.5057 -3.5057 -3.4494 -3.4494 -3.4390 -3.4390 3.3708 3.3708 9.1505 9.1505 10.1829 10.1829 10.3472 10.3472 k = 0.0517-0.0366 0.0633 ( 3339 PWs) bands (ev): -24.2643 -24.2643 -23.1264 -23.1264 -23.1109 -23.1109 -23.1104 -23.1104 -8.3401 -8.3401 -6.3080 -6.3080 -6.2601 -6.2601 -6.2489 -6.2489 -3.7813 -3.7813 -3.6683 -3.6683 -3.6539 -3.6539 -3.6346 -3.6346 -3.5208 -3.5208 -3.5073 -3.5073 -3.4539 -3.4539 -3.4397 -3.4397 3.3925 3.3925 9.1439 9.1439 10.1677 10.1677 10.3277 10.3277 k = 0.0603-0.0427 0.0739 ( 3331 PWs) bands (ev): -24.2619 -24.2619 -23.1274 -23.1274 -23.1120 -23.1120 -23.1113 -23.1113 -8.3484 -8.3484 -6.3011 -6.3011 -6.2544 -6.2544 -6.2390 -6.2390 -3.8036 -3.8036 -3.6768 -3.6768 -3.6530 -3.6530 -3.6317 -3.6317 -3.5130 -3.5130 -3.4988 -3.4988 -3.4585 -3.4585 -3.4404 -3.4404 3.4180 3.4180 9.1362 9.1362 10.1492 10.1492 10.3048 10.3048 k = 0.0690-0.0488 0.0845 ( 3339 PWs) bands (ev): -24.2591 -24.2591 -23.1286 -23.1286 -23.1133 -23.1133 -23.1124 -23.1124 -8.3578 -8.3578 -6.2934 -6.2934 -6.2479 -6.2479 -6.2277 -6.2277 -3.8261 -3.8261 -3.6881 -3.6881 -3.6512 -3.6512 -3.6286 -3.6286 -3.5160 -3.5160 -3.4805 -3.4805 -3.4627 -3.4627 -3.4409 -3.4409 3.4471 3.4471 9.1272 9.1272 10.1271 10.1271 10.2786 10.2786 k = 0.0776-0.0549 0.0950 ( 3331 PWs) bands (ev): -24.2559 -24.2559 -23.1299 -23.1299 -23.1147 -23.1147 -23.1136 -23.1136 -8.3682 -8.3682 -6.2849 -6.2849 -6.2404 -6.2404 -6.2148 -6.2148 -3.8488 -3.8488 -3.7016 -3.7016 -3.6492 -3.6492 -3.6255 -3.6255 -3.5204 -3.5204 -3.4674 -3.4674 -3.4607 -3.4607 -3.4410 -3.4410 3.4797 3.4797 9.1171 9.1171 10.1016 10.1016 10.2490 10.2490 k = 0.0862-0.0610 0.1056 ( 3327 PWs) bands (ev): -24.2525 -24.2525 -23.1314 -23.1314 -23.1163 -23.1163 -23.1149 -23.1149 -8.3795 -8.3795 -6.2756 -6.2756 -6.2321 -6.2321 -6.2005 -6.2005 -3.8715 -3.8715 -3.7171 -3.7171 -3.6474 -3.6474 -3.6226 -3.6226 -3.5259 -3.5259 -3.4694 -3.4694 -3.4442 -3.4442 -3.4393 -3.4393 3.5157 3.5157 9.1059 9.1059 10.0724 10.0724 10.2162 10.2162 k = 0.0948-0.0671 0.1161 ( 3327 PWs) bands (ev): -24.2486 -24.2486 -23.1330 -23.1330 -23.1180 -23.1180 -23.1163 -23.1163 -8.3917 -8.3917 -6.2655 -6.2655 -6.2230 -6.2230 -6.1849 -6.1849 -3.8944 -3.8944 -3.7344 -3.7344 -3.6462 -3.6462 -3.6201 -3.6201 -3.5323 -3.5323 -3.4706 -3.4706 -3.4407 -3.4407 -3.4237 -3.4237 3.5550 3.5550 9.0935 9.0935 10.0398 10.0398 10.1804 10.1804 k = 0.1034-0.0731 0.1267 ( 3331 PWs) bands (ev): -24.2445 -24.2445 -23.1348 -23.1348 -23.1198 -23.1198 -23.1179 -23.1179 -8.4047 -8.4047 -6.2547 -6.2547 -6.2131 -6.2131 -6.1681 -6.1681 -3.9172 -3.9172 -3.7536 -3.7536 -3.6456 -3.6456 -3.6182 -3.6182 -3.5396 -3.5396 -3.4703 -3.4703 -3.4390 -3.4390 -3.4059 -3.4059 3.5974 3.5974 9.0799 9.0799 10.0039 10.0039 10.1416 10.1416 k = 0.1121-0.0792 0.1373 ( 3331 PWs) bands (ev): -24.2400 -24.2400 -23.1366 -23.1366 -23.1218 -23.1218 -23.1196 -23.1196 -8.4184 -8.4184 -6.2431 -6.2431 -6.2022 -6.2022 -6.1501 -6.1501 -3.9401 -3.9401 -3.7746 -3.7746 -3.6460 -3.6460 -3.6170 -3.6170 -3.5476 -3.5476 -3.4683 -3.4683 -3.4365 -3.4365 -3.3882 -3.3882 3.6429 3.6429 9.0653 9.0653 9.9647 9.9647 10.0999 10.0999 k = 0.1207-0.0853 0.1478 ( 3331 PWs) bands (ev): -24.2353 -24.2353 -23.1387 -23.1387 -23.1239 -23.1239 -23.1214 -23.1214 -8.4328 -8.4328 -6.2308 -6.2308 -6.1906 -6.1906 -6.1311 -6.1311 -3.9630 -3.9630 -3.7971 -3.7971 -3.6474 -3.6474 -3.6169 -3.6169 -3.5564 -3.5564 -3.4648 -3.4648 -3.4329 -3.4329 -3.3708 -3.3708 3.6912 3.6912 9.0497 9.0497 9.9226 9.9226 10.0555 10.0555 k = 0.1293-0.0914 0.1584 ( 3331 PWs) bands (ev): -24.2302 -24.2302 -23.1408 -23.1408 -23.1262 -23.1262 -23.1233 -23.1233 -8.4477 -8.4477 -6.2177 -6.2177 -6.1781 -6.1781 -6.1112 -6.1112 -3.9859 -3.9859 -3.8211 -3.8211 -3.6500 -3.6500 -3.6178 -3.6178 -3.5657 -3.5657 -3.4597 -3.4597 -3.4281 -3.4281 -3.3537 -3.3537 3.7422 3.7422 9.0331 9.0331 9.8776 9.8776 10.0086 10.0086 k = 0.1379-0.0975 0.1689 ( 3319 PWs) bands (ev): -24.2248 -24.2248 -23.1431 -23.1431 -23.1285 -23.1285 -23.1253 -23.1253 -8.4630 -8.4630 -6.2039 -6.2039 -6.1648 -6.1648 -6.0904 -6.0904 -4.0086 -4.0086 -3.8464 -3.8464 -3.6537 -3.6537 -3.6200 -3.6200 -3.5756 -3.5756 -3.4531 -3.4531 -3.4221 -3.4221 -3.3370 -3.3370 3.7957 3.7957 9.0155 9.0155 9.8301 9.8301 9.9593 9.9593 k = 0.1466-0.1036 0.1795 ( 3319 PWs) bands (ev): -24.2192 -24.2192 -23.1454 -23.1454 -23.1310 -23.1310 -23.1274 -23.1274 -8.4788 -8.4788 -6.1893 -6.1893 -6.1507 -6.1507 -6.0688 -6.0688 -4.0313 -4.0313 -3.8728 -3.8728 -3.6587 -3.6586 -3.6235 -3.6235 -3.5860 -3.5860 -3.4451 -3.4451 -3.4148 -3.4148 -3.3206 -3.3206 3.8516 3.8516 8.9970 8.9970 9.7803 9.7803 9.9078 9.9078 k = 0.1552-0.1097 0.1900 ( 3319 PWs) bands (ev): -24.2133 -24.2133 -23.1479 -23.1479 -23.1336 -23.1336 -23.1297 -23.1297 -8.4949 -8.4949 -6.1739 -6.1739 -6.1359 -6.1359 -6.0467 -6.0467 -4.0539 -4.0539 -3.9003 -3.9003 -3.6647 -3.6647 -3.6282 -3.6282 -3.5969 -3.5969 -3.4358 -3.4358 -3.4062 -3.4062 -3.3046 -3.3046 3.9098 3.9098 8.9777 8.9777 9.7283 9.7283 9.8543 9.8543 k = 0.1638-0.1158 0.2006 ( 3303 PWs) bands (ev): -24.2071 -24.2071 -23.1505 -23.1505 -23.1362 -23.1362 -23.1320 -23.1320 -8.5112 -8.5112 -6.1579 -6.1579 -6.1202 -6.1202 -6.0240 -6.0240 -4.0763 -4.0763 -3.9285 -3.9285 -3.6719 -3.6719 -3.6342 -3.6342 -3.6082 -3.6082 -3.4254 -3.4254 -3.3965 -3.3965 -3.2890 -3.2890 3.9700 3.9700 8.9577 8.9577 9.6744 9.6744 9.7991 9.7991 k = 0.1724-0.1219 0.2112 ( 3316 PWs) bands (ev): -24.2008 -24.2008 -23.1532 -23.1532 -23.1390 -23.1390 -23.1344 -23.1344 -8.5278 -8.5278 -6.1411 -6.1411 -6.1038 -6.1038 -6.0008 -6.0008 -4.0987 -4.0987 -3.9574 -3.9574 -3.6800 -3.6800 -3.6413 -3.6413 -3.6201 -3.6201 -3.4139 -3.4139 -3.3858 -3.3858 -3.2737 -3.2737 4.0321 4.0321 8.9369 8.9369 9.6189 9.6189 9.7422 9.7422 k = 0.1810-0.1280 0.2217 ( 3316 PWs) bands (ev): -24.1942 -24.1942 -23.1559 -23.1559 -23.1418 -23.1418 -23.1369 -23.1369 -8.5445 -8.5445 -6.1236 -6.1236 -6.0867 -6.0867 -5.9773 -5.9773 -4.1208 -4.1208 -3.9867 -3.9867 -3.6892 -3.6892 -3.6495 -3.6495 -3.6324 -3.6324 -3.4017 -3.4017 -3.3741 -3.3741 -3.2588 -3.2588 4.0960 4.0960 8.9155 8.9155 9.5619 9.5619 9.6840 9.6840 k = 0.1897-0.1341 0.2323 ( 3316 PWs) bands (ev): -24.1874 -24.1874 -23.1588 -23.1588 -23.1447 -23.1447 -23.1395 -23.1395 -8.5612 -8.5612 -6.1054 -6.1054 -6.0688 -6.0688 -5.9535 -5.9535 -4.1426 -4.1426 -4.0164 -4.0164 -3.6992 -3.6992 -3.6587 -3.6587 -3.6453 -3.6453 -3.3887 -3.3887 -3.3616 -3.3616 -3.2442 -3.2442 4.1614 4.1614 8.8935 8.8935 9.5038 9.5038 9.6247 9.6247 k = 0.1983-0.1402 0.2428 ( 3316 PWs) bands (ev): -24.1804 -24.1804 -23.1617 -23.1617 -23.1477 -23.1477 -23.1422 -23.1422 -8.5780 -8.5780 -6.0865 -6.0865 -6.0503 -6.0503 -5.9295 -5.9295 -4.1643 -4.1643 -4.0463 -4.0463 -3.7100 -3.7100 -3.6689 -3.6689 -3.6586 -3.6586 -3.3750 -3.3750 -3.3484 -3.3484 -3.2301 -3.2301 4.2284 4.2284 8.8709 8.8709 9.4447 9.4447 9.5644 9.5644 k = 0.2069-0.1463 0.2534 ( 3316 PWs) bands (ev): -24.1732 -24.1732 -23.1647 -23.1647 -23.1507 -23.1507 -23.1450 -23.1450 -8.5947 -8.5947 -6.0670 -6.0670 -6.0310 -6.0310 -5.9054 -5.9054 -4.1857 -4.1857 -4.0762 -4.0762 -3.7216 -3.7216 -3.6800 -3.6800 -3.6723 -3.6723 -3.3608 -3.3608 -3.3346 -3.3346 -3.2163 -3.2163 4.2966 4.2966 8.8479 8.8479 9.3849 9.3849 9.5034 9.5034 k = 0.2155-0.1524 0.2640 ( 3316 PWs) bands (ev): -24.1659 -24.1659 -23.1677 -23.1677 -23.1538 -23.1538 -23.1478 -23.1478 -8.6114 -8.6114 -6.0469 -6.0469 -6.0111 -6.0111 -5.8813 -5.8813 -4.2068 -4.2068 -4.1060 -4.1060 -3.7340 -3.7340 -3.6918 -3.6918 -3.6866 -3.6866 -3.3462 -3.3462 -3.3203 -3.3203 -3.2029 -3.2029 4.3659 4.3659 8.8244 8.8244 9.3247 9.3247 9.4420 9.4420 k = 0.2241-0.1585 0.2745 ( 3316 PWs) bands (ev): -24.1585 -24.1585 -23.1707 -23.1707 -23.1569 -23.1569 -23.1507 -23.1507 -8.6279 -8.6279 -6.0262 -6.0262 -5.9906 -5.9906 -5.8572 -5.8572 -4.2275 -4.2275 -4.1356 -4.1356 -3.7471 -3.7471 -3.7045 -3.7045 -3.7013 -3.7013 -3.3313 -3.3313 -3.3056 -3.3056 -3.1899 -3.1899 4.4363 4.4363 8.8004 8.8004 9.2642 9.2642 9.3802 9.3802 k = 0.2328-0.1646 0.2851 ( 3304 PWs) bands (ev): -24.1509 -24.1509 -23.1738 -23.1738 -23.1600 -23.1600 -23.1536 -23.1536 -8.6442 -8.6442 -6.0049 -6.0049 -5.9696 -5.9696 -5.8331 -5.8331 -4.2480 -4.2480 -4.1648 -4.1648 -3.7608 -3.7608 -3.7180 -3.7180 -3.7162 -3.7162 -3.3161 -3.3161 -3.2907 -3.2907 -3.1773 -3.1773 4.5075 4.5075 8.7761 8.7761 9.2037 9.2037 9.3184 9.3184 k = 0.2414-0.1707 0.2956 ( 3296 PWs) bands (ev): -24.1433 -24.1433 -23.1770 -23.1770 -23.1631 -23.1631 -23.1566 -23.1566 -8.6603 -8.6603 -5.9830 -5.9830 -5.9479 -5.9479 -5.8093 -5.8093 -4.2680 -4.2680 -4.1936 -4.1936 -3.7751 -3.7751 -3.7327 -3.7327 -3.7311 -3.7311 -3.3007 -3.3007 -3.2755 -3.2755 -3.1650 -3.1650 4.5794 4.5794 8.7514 8.7514 9.1434 9.1434 9.2567 9.2567 k = 0.2500-0.1768 0.3062 ( 3284 PWs) bands (ev): -24.1355 -24.1355 -23.1801 -23.1801 -23.1662 -23.1662 -23.1597 -23.1597 -8.6762 -8.6762 -5.9607 -5.9607 -5.9257 -5.9257 -5.7856 -5.7856 -4.2877 -4.2877 -4.2217 -4.2217 -3.7901 -3.7901 -3.7485 -3.7485 -3.7458 -3.7458 -3.2852 -3.2852 -3.2601 -3.2601 -3.1532 -3.1532 4.6519 4.6519 8.7262 8.7262 9.0835 9.0835 9.1953 9.1953 k = 0.2586-0.1829 0.3167 ( 3304 PWs) bands (ev): -24.1278 -24.1278 -23.1832 -23.1832 -23.1694 -23.1694 -23.1628 -23.1628 -8.6918 -8.6918 -5.9379 -5.9379 -5.9031 -5.9031 -5.7623 -5.7623 -4.3070 -4.3070 -4.2493 -4.2493 -3.8056 -3.8056 -3.7649 -3.7649 -3.7610 -3.7610 -3.2697 -3.2697 -3.2447 -3.2447 -3.1417 -3.1417 4.7249 4.7249 8.7007 8.7007 9.0243 9.0243 9.1344 9.1344 k = 0.2672-0.1890 0.3273 ( 3304 PWs) bands (ev): -24.1200 -24.1200 -23.1864 -23.1864 -23.1725 -23.1725 -23.1659 -23.1659 -8.7071 -8.7071 -5.9147 -5.9147 -5.8800 -5.8800 -5.7392 -5.7392 -4.3258 -4.3258 -4.2761 -4.2761 -3.8216 -3.8216 -3.7817 -3.7817 -3.7766 -3.7766 -3.2541 -3.2541 -3.2293 -3.2293 -3.1307 -3.1307 4.7981 4.7981 8.6746 8.6746 8.9660 8.9660 9.0742 9.0742 k = 0.2759-0.1951 0.3379 ( 3296 PWs) bands (ev): -24.1121 -24.1121 -23.1895 -23.1895 -23.1756 -23.1756 -23.1690 -23.1690 -8.7220 -8.7220 -5.8912 -5.8912 -5.8565 -5.8565 -5.7166 -5.7166 -4.3442 -4.3442 -4.3020 -4.3020 -3.8381 -3.8381 -3.7988 -3.7988 -3.7927 -3.7927 -3.2387 -3.2387 -3.2139 -3.2139 -3.1200 -3.1200 4.8715 4.8715 8.6481 8.6481 8.9088 8.9088 9.0148 9.0148 k = 0.2845-0.2012 0.3484 ( 3296 PWs) bands (ev): -24.1043 -24.1043 -23.1926 -23.1926 -23.1787 -23.1787 -23.1722 -23.1722 -8.7365 -8.7365 -5.8673 -5.8673 -5.8327 -5.8327 -5.6944 -5.6944 -4.3621 -4.3621 -4.3271 -4.3271 -3.8551 -3.8551 -3.8162 -3.8162 -3.8093 -3.8093 -3.2234 -3.2234 -3.1986 -3.1986 -3.1096 -3.1096 4.9449 4.9449 8.6210 8.6210 8.8530 8.8530 8.9565 8.9565 k = 0.2931-0.2073 0.3590 ( 3312 PWs) bands (ev): -24.0966 -24.0966 -23.1957 -23.1957 -23.1818 -23.1818 -23.1753 -23.1753 -8.7507 -8.7507 -5.8432 -5.8432 -5.8086 -5.8086 -5.6727 -5.6727 -4.3795 -4.3795 -4.3511 -4.3511 -3.8724 -3.8724 -3.8338 -3.8338 -3.8262 -3.8262 -3.2083 -3.2083 -3.1835 -3.1835 -3.0997 -3.0997 5.0182 5.0182 8.5931 8.5931 8.7989 8.7989 8.8993 8.8993 k = 0.3017-0.2134 0.3695 ( 3312 PWs) bands (ev): -24.0889 -24.0889 -23.1987 -23.1987 -23.1848 -23.1848 -23.1785 -23.1785 -8.7645 -8.7645 -5.8189 -5.8189 -5.7843 -5.7843 -5.6515 -5.6515 -4.3964 -4.3964 -4.3741 -4.3741 -3.8901 -3.8901 -3.8517 -3.8517 -3.8434 -3.8434 -3.1935 -3.1935 -3.1686 -3.1686 -3.0902 -3.0902 5.0912 5.0912 8.5643 8.5643 8.7467 8.7467 8.8434 8.8434 k = 0.3103-0.2194 0.3801 ( 3312 PWs) bands (ev): -24.0813 -24.0813 -23.2017 -23.2017 -23.1877 -23.1877 -23.1816 -23.1816 -8.7778 -8.7778 -5.7944 -5.7944 -5.7598 -5.7598 -5.6309 -5.6309 -4.4127 -4.4127 -4.3960 -4.3960 -3.9081 -3.9081 -3.8697 -3.8697 -3.8609 -3.8609 -3.1789 -3.1789 -3.1540 -3.1540 -3.0810 -3.0810 5.1638 5.1638 8.5345 8.5345 8.6968 8.6968 8.7890 8.7890 k = 0.3190-0.2255 0.3907 ( 3316 PWs) bands (ev): -24.0738 -24.0738 -23.2046 -23.2046 -23.1906 -23.1906 -23.1847 -23.1847 -8.7906 -8.7906 -5.7700 -5.7700 -5.7352 -5.7352 -5.6109 -5.6109 -4.4285 -4.4285 -4.4168 -4.4168 -3.9263 -3.9263 -3.8878 -3.8878 -3.8787 -3.8787 -3.1647 -3.1647 -3.1398 -3.1398 -3.0722 -3.0722 5.2359 5.2359 8.5035 8.5035 8.6496 8.6496 8.7362 8.7362 k = 0.3276-0.2316 0.4012 ( 3332 PWs) bands (ev): -24.0664 -24.0664 -23.2075 -23.2075 -23.1934 -23.1934 -23.1878 -23.1878 -8.8030 -8.8030 -5.7455 -5.7455 -5.7106 -5.7106 -5.5916 -5.5916 -4.4438 -4.4438 -4.4363 -4.4363 -3.9447 -3.9447 -3.9060 -3.9060 -3.8966 -3.8966 -3.1509 -3.1509 -3.1259 -3.1259 -3.0638 -3.0638 5.3072 5.3072 8.4711 8.4711 8.6051 8.6051 8.6851 8.6851 k = 0.3362-0.2377 0.4118 ( 3332 PWs) bands (ev): -24.0592 -24.0592 -23.2103 -23.2103 -23.1961 -23.1961 -23.1908 -23.1908 -8.8149 -8.8149 -5.7211 -5.7211 -5.6860 -5.6860 -5.5729 -5.5729 -4.4588 -4.4588 -4.4543 -4.4543 -3.9631 -3.9631 -3.9242 -3.9242 -3.9146 -3.9146 -3.1376 -3.1376 -3.1124 -3.1124 -3.0558 -3.0558 5.3777 5.3777 8.4372 8.4372 8.5637 8.5637 8.6359 8.6359 k = 0.3448-0.2438 0.4223 ( 3336 PWs) bands (ev): -24.0522 -24.0522 -23.2130 -23.2130 -23.1988 -23.1988 -23.1938 -23.1938 -8.8262 -8.8262 -5.6970 -5.6970 -5.6616 -5.6616 -5.5550 -5.5550 -4.4739 -4.4739 -4.4703 -4.4703 -3.9816 -3.9816 -3.9423 -3.9423 -3.9327 -3.9327 -3.1247 -3.1247 -3.0993 -3.0993 -3.0482 -3.0482 5.4471 5.4471 8.4022 8.4022 8.5253 8.5253 8.5885 8.5885 k = 0.3534-0.2499 0.4329 ( 3336 PWs) bands (ev): -24.0453 -24.0453 -23.2157 -23.2157 -23.2013 -23.2013 -23.1967 -23.1967 -8.8370 -8.8370 -5.6731 -5.6731 -5.6374 -5.6374 -5.5379 -5.5379 -4.4891 -4.4891 -4.4843 -4.4843 -4.0000 -4.0000 -3.9602 -3.9602 -3.9507 -3.9507 -3.1123 -3.1123 -3.0868 -3.0868 -3.0409 -3.0409 5.5154 5.5154 8.3664 8.3664 8.4895 8.4895 8.5433 8.5433 k = 0.3621-0.2560 0.4434 ( 3348 PWs) bands (ev): -24.0387 -24.0387 -23.2182 -23.2182 -23.2037 -23.2037 -23.1995 -23.1995 -8.8473 -8.8473 -5.6496 -5.6496 -5.6135 -5.6135 -5.5215 -5.5215 -4.5036 -4.5036 -4.4972 -4.4972 -4.0183 -4.0183 -3.9779 -3.9779 -3.9686 -3.9686 -3.1006 -3.1006 -3.0748 -3.0748 -3.0340 -3.0340 5.5821 5.5821 8.3304 8.3304 8.4561 8.4561 8.5001 8.5001 k = 0.3707-0.2621 0.4540 ( 3348 PWs) bands (ev): -24.0324 -24.0324 -23.2207 -23.2207 -23.2061 -23.2061 -23.2022 -23.2022 -8.8570 -8.8570 -5.6267 -5.6267 -5.5901 -5.5901 -5.5059 -5.5059 -4.5170 -4.5170 -4.5092 -4.5092 -4.0364 -4.0364 -3.9953 -3.9953 -3.9863 -3.9863 -3.0894 -3.0894 -3.0633 -3.0633 -3.0274 -3.0274 5.6473 5.6473 8.2947 8.2947 8.4245 8.4245 8.4591 8.4591 k = 0.3793-0.2682 0.4646 ( 3348 PWs) bands (ev): -24.0263 -24.0263 -23.2230 -23.2230 -23.2083 -23.2083 -23.2048 -23.2048 -8.8662 -8.8662 -5.6044 -5.6044 -5.5672 -5.5672 -5.4912 -5.4912 -4.5293 -4.5293 -4.5204 -4.5204 -4.0541 -4.0541 -4.0122 -4.0122 -4.0037 -4.0037 -3.0789 -3.0789 -3.0525 -3.0525 -3.0212 -3.0212 5.7105 5.7105 8.2597 8.2597 8.3945 8.3945 8.4205 8.4205 k = 0.3879-0.2743 0.4751 ( 3348 PWs) bands (ev): -24.0205 -24.0205 -23.2252 -23.2252 -23.2104 -23.2104 -23.2073 -23.2073 -8.8747 -8.8747 -5.5828 -5.5828 -5.5450 -5.5450 -5.4773 -5.4773 -4.5403 -4.5403 -4.5310 -4.5310 -4.0715 -4.0715 -4.0287 -4.0287 -4.0207 -4.0207 -3.0690 -3.0690 -3.0422 -3.0422 -3.0154 -3.0154 5.7717 5.7717 8.2260 8.2260 8.3658 8.3658 8.3842 8.3842 k = 0.3966-0.2804 0.4857 ( 3340 PWs) bands (ev): -24.0150 -24.0150 -23.2273 -23.2273 -23.2123 -23.2123 -23.2096 -23.2096 -8.8827 -8.8827 -5.5622 -5.5622 -5.5236 -5.5236 -5.4642 -5.4642 -4.5502 -4.5502 -4.5408 -4.5408 -4.0882 -4.0882 -4.0446 -4.0446 -4.0372 -4.0372 -3.0598 -3.0598 -3.0326 -3.0326 -3.0099 -3.0099 5.8305 5.8305 8.1938 8.1938 8.3383 8.3383 8.3503 8.3503 k = 0.4052-0.2865 0.4962 ( 3340 PWs) bands (ev): -24.0099 -24.0099 -23.2292 -23.2292 -23.2141 -23.2141 -23.2118 -23.2118 -8.8901 -8.8901 -5.5426 -5.5426 -5.5031 -5.5031 -5.4520 -5.4520 -4.5590 -4.5590 -4.5498 -4.5498 -4.1044 -4.1044 -4.0597 -4.0597 -4.0530 -4.0530 -3.0514 -3.0514 -3.0237 -3.0237 -3.0047 -3.0047 5.8865 5.8865 8.1634 8.1634 8.3121 8.3121 8.3190 8.3190 k = 0.4138-0.2926 0.5068 ( 3340 PWs) bands (ev): -24.0051 -24.0051 -23.2310 -23.2310 -23.2158 -23.2158 -23.2139 -23.2139 -8.8968 -8.8968 -5.5242 -5.5242 -5.4836 -5.4836 -5.4406 -5.4406 -4.5667 -4.5667 -4.5581 -4.5581 -4.1197 -4.1197 -4.0741 -4.0741 -4.0681 -4.0681 -3.0437 -3.0437 -3.0155 -3.0155 -2.9999 -2.9999 5.9396 5.9396 8.1350 8.1350 8.2871 8.2871 8.2902 8.2902 k = 0.4224-0.2987 0.5173 ( 3336 PWs) bands (ev): -24.0008 -24.0008 -23.2327 -23.2327 -23.2173 -23.2173 -23.2157 -23.2157 -8.9030 -8.9030 -5.5072 -5.5072 -5.4654 -5.4654 -5.4301 -5.4301 -4.5735 -4.5735 -4.5657 -4.5657 -4.1342 -4.1342 -4.0875 -4.0875 -4.0822 -4.0822 -3.0368 -3.0368 -3.0080 -3.0080 -2.9955 -2.9955 5.9893 5.9893 8.1087 8.1087 8.2632 8.2632 8.2644 8.2644 k = 0.4310-0.3048 0.5279 ( 3336 PWs) bands (ev): -23.9968 -23.9968 -23.2342 -23.2342 -23.2187 -23.2187 -23.2174 -23.2174 -8.9085 -8.9085 -5.4916 -5.4916 -5.4486 -5.4486 -5.4204 -5.4204 -4.5792 -4.5792 -4.5725 -4.5725 -4.1476 -4.1476 -4.0998 -4.0998 -4.0954 -4.0954 -3.0306 -3.0306 -3.0013 -3.0013 -2.9915 -2.9915 6.0352 6.0352 8.0846 8.0846 8.2402 8.2402 8.2421 8.2421 k = 0.4397-0.3109 0.5385 ( 3332 PWs) bands (ev): -23.9933 -23.9933 -23.2356 -23.2356 -23.2200 -23.2200 -23.2190 -23.2190 -8.9134 -8.9134 -5.4778 -5.4778 -5.4333 -5.4333 -5.4116 -5.4116 -4.5841 -4.5841 -4.5785 -4.5785 -4.1599 -4.1599 -4.1111 -4.1111 -4.1074 -4.1074 -3.0253 -3.0253 -2.9953 -2.9953 -2.9878 -2.9878 6.0771 6.0771 8.0629 8.0629 8.2193 8.2193 8.2219 8.2219 k = 0.4483-0.3170 0.5490 ( 3328 PWs) bands (ev): -23.9902 -23.9902 -23.2368 -23.2368 -23.2210 -23.2210 -23.2203 -23.2203 -8.9176 -8.9176 -5.4656 -5.4656 -5.4197 -5.4197 -5.4037 -5.4037 -4.5881 -4.5881 -4.5837 -4.5837 -4.1709 -4.1709 -4.1210 -4.1210 -4.1181 -4.1181 -3.0206 -3.0206 -2.9900 -2.9900 -2.9846 -2.9846 6.1145 6.1145 8.0438 8.0438 8.2012 8.2012 8.2039 8.2039 k = 0.4569-0.3231 0.5596 ( 3328 PWs) bands (ev): -23.9875 -23.9875 -23.2378 -23.2378 -23.2219 -23.2219 -23.2214 -23.2214 -8.9212 -8.9212 -5.4554 -5.4554 -5.4078 -5.4078 -5.3968 -5.3968 -4.5914 -4.5914 -4.5881 -4.5881 -4.1805 -4.1805 -4.1297 -4.1297 -4.1275 -4.1275 -3.0168 -3.0168 -2.9856 -2.9856 -2.9818 -2.9818 6.1469 6.1469 8.0273 8.0273 8.1858 8.1858 8.1882 8.1882 k = 0.4655-0.3292 0.5701 ( 3320 PWs) bands (ev): -23.9853 -23.9853 -23.2386 -23.2386 -23.2227 -23.2227 -23.2223 -23.2223 -8.9242 -8.9242 -5.4470 -5.4470 -5.3979 -5.3979 -5.3909 -5.3909 -4.5939 -4.5939 -4.5917 -4.5917 -4.1885 -4.1885 -4.1369 -4.1369 -4.1353 -4.1353 -3.0136 -3.0136 -2.9819 -2.9819 -2.9794 -2.9794 6.1741 6.1741 8.0136 8.0136 8.1731 8.1731 8.1750 8.1750 k = 0.4741-0.3353 0.5807 ( 3312 PWs) bands (ev): -23.9836 -23.9836 -23.2393 -23.2393 -23.2233 -23.2233 -23.2231 -23.2231 -8.9264 -8.9264 -5.4405 -5.4405 -5.3901 -5.3901 -5.3862 -5.3862 -4.5958 -4.5958 -4.5945 -4.5945 -4.1949 -4.1949 -4.1425 -4.1425 -4.1415 -4.1415 -3.0112 -3.0112 -2.9791 -2.9791 -2.9776 -2.9776 6.1957 6.1957 8.0027 8.0027 8.1633 8.1633 8.1645 8.1645 k = 0.4828-0.3414 0.5913 ( 3300 PWs) bands (ev): -23.9824 -23.9824 -23.2397 -23.2397 -23.2237 -23.2237 -23.2236 -23.2236 -8.9281 -8.9281 -5.4359 -5.4359 -5.3844 -5.3844 -5.3827 -5.3827 -4.5972 -4.5972 -4.5965 -4.5965 -4.1995 -4.1995 -4.1466 -4.1466 -4.1460 -4.1460 -3.0095 -3.0095 -2.9770 -2.9770 -2.9762 -2.9762 6.2113 6.2113 7.9949 7.9949 8.1562 8.1562 8.1568 8.1568 k = 0.4914-0.3475 0.6018 ( 3300 PWs) bands (ev): -23.9817 -23.9817 -23.2400 -23.2400 -23.2239 -23.2239 -23.2239 -23.2239 -8.9290 -8.9290 -5.4331 -5.4331 -5.3810 -5.3810 -5.3806 -5.3806 -4.5980 -4.5980 -4.5978 -4.5978 -4.2023 -4.2023 -4.1490 -4.1490 -4.1488 -4.1488 -3.0085 -3.0085 -2.9757 -2.9757 -2.9754 -2.9754 6.2208 6.2208 7.9901 7.9901 8.1520 8.1520 8.1522 8.1522 k = 0.5000-0.3536 0.6124 ( 3300 PWs) bands (ev): -23.9814 -23.9814 -23.2401 -23.2401 -23.2240 -23.2240 -23.2240 -23.2240 -8.9294 -8.9294 -5.4322 -5.4322 -5.3799 -5.3799 -5.3799 -5.3799 -4.5982 -4.5982 -4.5982 -4.5982 -4.2032 -4.2032 -4.1498 -4.1498 -4.1498 -4.1498 -3.0082 -3.0082 -2.9752 -2.9752 -2.9752 -2.9752 6.2240 6.2240 7.9886 7.9886 8.1506 8.1506 8.1506 8.1506 k = 0.5000-0.3536 0.6124 ( 3300 PWs) bands (ev): -23.9814 -23.9814 -23.2401 -23.2401 -23.2240 -23.2240 -23.2240 -23.2240 -8.9294 -8.9294 -5.4322 -5.4322 -5.3799 -5.3799 -5.3799 -5.3799 -4.5982 -4.5982 -4.5982 -4.5982 -4.2032 -4.2032 -4.1498 -4.1498 -4.1498 -4.1498 -3.0082 -3.0082 -2.9752 -2.9752 -2.9752 -2.9752 6.2240 6.2240 7.9886 7.9886 8.1506 8.1506 8.1506 8.1506 k = 0.4878-0.3449 0.6124 ( 3300 PWs) bands (ev): -23.9817 -23.9817 -23.2400 -23.2400 -23.2240 -23.2240 -23.2238 -23.2238 -8.9290 -8.9290 -5.4331 -5.4331 -5.3813 -5.3813 -5.3804 -5.3802 -4.5980 -4.5979 -4.5979 -4.5977 -4.2023 -4.2023 -4.1494 -4.1491 -4.1486 -4.1485 -3.0085 -3.0085 -2.9759 -2.9755 -2.9755 -2.9754 6.2208 6.2208 7.9901 7.9901 8.1507 8.1509 8.1533 8.1534 k = 0.4756-0.3363 0.6124 ( 3300 PWs) bands (ev): -23.9824 -23.9824 -23.2397 -23.2397 -23.2239 -23.2239 -23.2234 -23.2234 -8.9281 -8.9281 -5.4360 -5.4359 -5.3855 -5.3855 -5.3817 -5.3813 -4.5971 -4.5970 -4.5968 -4.5965 -4.1996 -4.1995 -4.1479 -4.1472 -4.1450 -4.1449 -3.0095 -3.0095 -2.9774 -2.9766 -2.9763 -2.9761 6.2114 6.2114 7.9945 7.9946 8.1514 8.1517 8.1617 8.1619 k = 0.4634-0.3277 0.6124 ( 3308 PWs) bands (ev): -23.9836 -23.9836 -23.2393 -23.2393 -23.2237 -23.2237 -23.2226 -23.2226 -8.9264 -8.9264 -5.4411 -5.4409 -5.3925 -5.3923 -5.3836 -5.3829 -4.5957 -4.5955 -4.5950 -4.5945 -4.1953 -4.1952 -4.1453 -4.1443 -4.1390 -4.1388 -3.0112 -3.0112 -2.9797 -2.9786 -2.9776 -2.9773 6.1959 6.1960 8.0009 8.0011 8.1529 8.1534 8.1757 8.1762 k = 0.4512-0.3191 0.6124 ( 3320 PWs) bands (ev): -23.9853 -23.9853 -23.2388 -23.2387 -23.2235 -23.2235 -23.2215 -23.2214 -8.9242 -8.9241 -5.4489 -5.4483 -5.4021 -5.4015 -5.3857 -5.3848 -4.5938 -4.5934 -4.5924 -4.5917 -4.1897 -4.1896 -4.1414 -4.1400 -4.1306 -4.1304 -3.0137 -3.0137 -2.9829 -2.9815 -2.9793 -2.9788 6.1749 6.1750 8.0082 8.0086 8.1559 8.1564 8.1957 8.1967 k = 0.4390-0.3104 0.6124 ( 3324 PWs) bands (ev): -23.9875 -23.9875 -23.2381 -23.2380 -23.2232 -23.2231 -23.2200 -23.2199 -8.9212 -8.9212 -5.4596 -5.4584 -5.4139 -5.4127 -5.3877 -5.3865 -4.5912 -4.5908 -4.5889 -4.5881 -4.1833 -4.1830 -4.1362 -4.1344 -4.1198 -4.1197 -3.0169 -3.0169 -2.9870 -2.9852 -2.9813 -2.9808 6.1489 6.1489 8.0150 8.0156 8.1611 8.1614 8.2218 8.2234 k = 0.4268-0.3018 0.6124 ( 3330 PWs) bands (ev): -23.9901 -23.9901 -23.2374 -23.2373 -23.2227 -23.2227 -23.2182 -23.2181 -8.9176 -8.9176 -5.4734 -5.4714 -5.4276 -5.4256 -5.3895 -5.3881 -4.5881 -4.5876 -4.5845 -4.5837 -4.1764 -4.1760 -4.1294 -4.1272 -4.1068 -4.1067 -3.0209 -3.0209 -2.9918 -2.9897 -2.9837 -2.9831 6.1183 6.1184 8.0200 8.0208 8.1693 8.1694 8.2537 8.2561 k = 0.4146-0.2932 0.6124 ( 3330 PWs) bands (ev): -23.9931 -23.9931 -23.2367 -23.2366 -23.2221 -23.2220 -23.2161 -23.2158 -8.9134 -8.9134 -5.4902 -5.4874 -5.4428 -5.4400 -5.3909 -5.3894 -4.5843 -4.5838 -4.5792 -4.5784 -4.1694 -4.1687 -4.1211 -4.1185 -4.0917 -4.0915 -3.0257 -3.0256 -2.9975 -2.9950 -2.9865 -2.9858 6.0839 6.0840 8.0225 8.0233 8.1806 8.1813 8.2911 8.2945 k = 0.4024-0.2846 0.6124 ( 3342 PWs) bands (ev): -23.9965 -23.9964 -23.2361 -23.2359 -23.2214 -23.2213 -23.2136 -23.2133 -8.9086 -8.9086 -5.5101 -5.5064 -5.4592 -5.4555 -5.3920 -5.3903 -4.5801 -4.5794 -4.5730 -4.5722 -4.1625 -4.1615 -4.1113 -4.1083 -4.0748 -4.0742 -3.0314 -3.0313 -3.0040 -3.0012 -2.9895 -2.9887 6.0463 6.0464 8.0221 8.0228 8.1956 8.1970 8.3335 8.3380 k = 0.3902-0.2759 0.6124 ( 3342 PWs) bands (ev): -24.0002 -24.0002 -23.2355 -23.2353 -23.2205 -23.2203 -23.2108 -23.2104 -8.9032 -8.9032 -5.5326 -5.5283 -5.4764 -5.4721 -5.3928 -5.3911 -4.5753 -4.5746 -4.5659 -4.5650 -4.1556 -4.1543 -4.1002 -4.0968 -4.0561 -4.0552 -3.0378 -3.0377 -3.0111 -3.0080 -2.9927 -2.9919 6.0060 6.0061 8.0189 8.0195 8.2141 8.2164 8.3803 8.3859 k = 0.3780-0.2673 0.6124 ( 3346 PWs) bands (ev): -24.0043 -24.0043 -23.2350 -23.2348 -23.2195 -23.2192 -23.2078 -23.2072 -8.8972 -8.8972 -5.5575 -5.5527 -5.4943 -5.4894 -5.3934 -5.3916 -4.5699 -4.5692 -4.5578 -4.5570 -4.1488 -4.1472 -4.0881 -4.0841 -4.0360 -4.0346 -3.0452 -3.0450 -3.0190 -3.0156 -2.9961 -2.9953 5.9635 5.9636 8.0134 8.0137 8.2359 8.2391 8.4308 8.4375 k = 0.3659-0.2587 0.6124 ( 3350 PWs) bands (ev): -24.0086 -24.0086 -23.2346 -23.2344 -23.2183 -23.2179 -23.2044 -23.2038 -8.8906 -8.8906 -5.5846 -5.5795 -5.5126 -5.5075 -5.3938 -5.3920 -4.5640 -4.5633 -4.5487 -4.5480 -4.1419 -4.1400 -4.0750 -4.0706 -4.0145 -4.0128 -3.0533 -3.0531 -3.0276 -3.0238 -2.9998 -2.9989 5.9194 5.9196 8.0059 8.0060 8.2605 8.2647 8.4843 8.4923 k = 0.3537-0.2501 0.6124 ( 3350 PWs) bands (ev): -24.0133 -24.0133 -23.2343 -23.2341 -23.2169 -23.2164 -23.2008 -23.2001 -8.8835 -8.8835 -5.6134 -5.6082 -5.5314 -5.5261 -5.3940 -5.3922 -4.5577 -4.5569 -4.5388 -4.5381 -4.1350 -4.1327 -4.0613 -4.0563 -3.9921 -3.9899 -3.0623 -3.0620 -3.0367 -3.0327 -3.0036 -3.0027 5.8741 5.8744 7.9967 7.9967 8.2877 8.2929 8.5403 8.5496 k = 0.3415-0.2415 0.6124 ( 3346 PWs) bands (ev): -24.0181 -24.0181 -23.2341 -23.2339 -23.2153 -23.2147 -23.1970 -23.1962 -8.8759 -8.8758 -5.6437 -5.6385 -5.5504 -5.5451 -5.3942 -5.3923 -4.5508 -4.5500 -4.5279 -4.5273 -4.1279 -4.1254 -4.0471 -4.0416 -3.9689 -3.9662 -3.0721 -3.0717 -3.0464 -3.0422 -3.0077 -3.0067 5.8281 5.8283 7.9862 7.9864 8.3172 8.3233 8.5982 8.6090 k = 0.3293-0.2328 0.6124 ( 3354 PWs) bands (ev): -24.0232 -24.0231 -23.2340 -23.2337 -23.2136 -23.2129 -23.1930 -23.1922 -8.8677 -8.8677 -5.6753 -5.6702 -5.5697 -5.5644 -5.3942 -5.3923 -4.5436 -4.5428 -4.5162 -4.5158 -4.1207 -4.1179 -4.0327 -4.0265 -3.9452 -3.9420 -3.0827 -3.0821 -3.0566 -3.0521 -3.0119 -3.0109 5.7816 5.7819 7.9747 7.9750 8.3486 8.3557 8.6577 8.6699 k = 0.3171-0.2242 0.6124 ( 3350 PWs) bands (ev): -24.0284 -24.0283 -23.2339 -23.2337 -23.2118 -23.2110 -23.1889 -23.1880 -8.8591 -8.8591 -5.7079 -5.7030 -5.5891 -5.5839 -5.3941 -5.3922 -4.5359 -4.5351 -4.5037 -4.5033 -4.1134 -4.1102 -4.0180 -4.0112 -3.9211 -3.9173 -3.0940 -3.0934 -3.0672 -3.0625 -3.0163 -3.0153 5.7350 5.7353 7.9624 7.9629 8.3817 8.3898 8.7182 8.7319 k = 0.3049-0.2156 0.6124 ( 3358 PWs) bands (ev): -24.0337 -24.0337 -23.2339 -23.2337 -23.2098 -23.2090 -23.1847 -23.1837 -8.8501 -8.8500 -5.7414 -5.7367 -5.6084 -5.6033 -5.3940 -5.3921 -4.5278 -4.5270 -4.4904 -4.4902 -4.1059 -4.1024 -4.0032 -3.9958 -3.8968 -3.8925 -3.1061 -3.1053 -3.0781 -3.0733 -3.0209 -3.0199 5.6885 5.6889 7.9496 7.9501 8.4164 8.4253 8.7795 8.7948 k = 0.2927-0.2070 0.6124 ( 3358 PWs) bands (ev): -24.0391 -24.0390 -23.2339 -23.2337 -23.2078 -23.2068 -23.1805 -23.1794 -8.8407 -8.8406 -5.7754 -5.7710 -5.6276 -5.6227 -5.3938 -5.3919 -4.5193 -4.5186 -4.4764 -4.4763 -4.0983 -4.0946 -3.9885 -3.9804 -3.8725 -3.8676 -3.1189 -3.1180 -3.0893 -3.0844 -3.0256 -3.0247 5.6425 5.6430 7.9363 7.9370 8.4522 8.4621 8.8413 8.8582 k = 0.2805-0.1983 0.6124 ( 3352 PWs) bands (ev): -24.0445 -24.0445 -23.2340 -23.2338 -23.2056 -23.2046 -23.1762 -23.1750 -8.8309 -8.8308 -5.8099 -5.8057 -5.6466 -5.6419 -5.3936 -5.3917 -4.5105 -4.5098 -4.4617 -4.4617 -4.0907 -4.0867 -3.9738 -3.9651 -3.8484 -3.8429 -3.1324 -3.1313 -3.1006 -3.0957 -3.0306 -3.0296 5.5971 5.5976 7.9228 7.9235 8.4891 8.4999 8.9032 8.9219 k = 0.2683-0.1897 0.6124 ( 3352 PWs) bands (ev): -24.0500 -24.0499 -23.2341 -23.2339 -23.2034 -23.2024 -23.1719 -23.1707 -8.8208 -8.8207 -5.8447 -5.8407 -5.6653 -5.6608 -5.3933 -5.3914 -4.5014 -4.5008 -4.4466 -4.4464 -4.0830 -4.0787 -3.9593 -3.9499 -3.8245 -3.8185 -3.1465 -3.1452 -3.1122 -3.1071 -3.0356 -3.0346 5.5526 5.5531 7.9091 7.9099 8.5268 8.5385 8.9651 8.9855 k = 0.2561-0.1811 0.6124 ( 3344 PWs) bands (ev): -24.0554 -24.0553 -23.2342 -23.2340 -23.2012 -23.2001 -23.1676 -23.1664 -8.8104 -8.8102 -5.8794 -5.8758 -5.6835 -5.6793 -5.3930 -5.3911 -4.4920 -4.4915 -4.4309 -4.4306 -4.0753 -4.0708 -3.9449 -3.9349 -3.8012 -3.7945 -3.1611 -3.1597 -3.1237 -3.1187 -3.0408 -3.0399 5.5091 5.5097 7.8954 7.8961 8.5650 8.5776 9.0267 9.0490 k = 0.2439-0.1725 0.6124 ( 3340 PWs) bands (ev): -24.0608 -24.0607 -23.2343 -23.2342 -23.1989 -23.1978 -23.1633 -23.1621 -8.7998 -8.7996 -5.9141 -5.9107 -5.7014 -5.6974 -5.3926 -5.3908 -4.4824 -4.4820 -4.4148 -4.4143 -4.0677 -4.0629 -3.9308 -3.9201 -3.7784 -3.7711 -3.1762 -3.1747 -3.1353 -3.1302 -3.0461 -3.0452 5.4667 5.4674 7.8817 7.8825 8.6035 8.6169 9.0880 9.1120 k = 0.2317-0.1638 0.6124 ( 3338 PWs) bands (ev): -24.0661 -24.0660 -23.2345 -23.2344 -23.1966 -23.1955 -23.1591 -23.1579 -8.7890 -8.7889 -5.9484 -5.9453 -5.7187 -5.7149 -5.3922 -5.3904 -4.4726 -4.4723 -4.3982 -4.3976 -4.0602 -4.0552 -3.9169 -3.9055 -3.7564 -3.7484 -3.1917 -3.1902 -3.1468 -3.1417 -3.0515 -3.0506 5.4257 5.4264 7.8681 7.8689 8.6421 8.6563 9.1487 9.1745 k = 0.2195-0.1552 0.6124 ( 3338 PWs) bands (ev): -24.0713 -24.0713 -23.2346 -23.2345 -23.1944 -23.1932 -23.1551 -23.1538 -8.7781 -8.7780 -5.9823 -5.9795 -5.7354 -5.7319 -5.3918 -5.3900 -4.4627 -4.4625 -4.3814 -4.3806 -4.0529 -4.0477 -3.9033 -3.8912 -3.7353 -3.7266 -3.2076 -3.2060 -3.1581 -3.1531 -3.0570 -3.0561 5.3861 5.3868 7.8548 7.8556 8.6806 8.6954 9.2087 9.2363 k = 0.2073-0.1466 0.6124 ( 3338 PWs) bands (ev): -24.0764 -24.0763 -23.2348 -23.2347 -23.1921 -23.1909 -23.1511 -23.1499 -8.7672 -8.7670 -6.0155 -6.0129 -5.7515 -5.7482 -5.3913 -5.3896 -4.4527 -4.4526 -4.3644 -4.3634 -4.0457 -4.0405 -3.8899 -3.8772 -3.7153 -3.7057 -3.2236 -3.2222 -3.1693 -3.1642 -3.0625 -3.0617 5.3481 5.3488 7.8418 7.8426 8.7186 8.7340 9.2680 9.2973 k = 0.1951-0.1380 0.6124 ( 3338 PWs) bands (ev): -24.0813 -24.0813 -23.2350 -23.2349 -23.1898 -23.1886 -23.1473 -23.1461 -8.7563 -8.7562 -6.0479 -6.0456 -5.7668 -5.7638 -5.3908 -5.3892 -4.4426 -4.4426 -4.3473 -4.3462 -4.0389 -4.0335 -3.8768 -3.8634 -3.6963 -3.6859 -3.2398 -3.2385 -3.1801 -3.1751 -3.0680 -3.0673 5.3118 5.3125 7.8291 7.8299 8.7560 8.7718 9.3263 9.3573 k = 0.1829-0.1293 0.6124 ( 3322 PWs) bands (ev): -24.0860 -24.0860 -23.2352 -23.2351 -23.1876 -23.1864 -23.1437 -23.1424 -8.7455 -8.7453 -6.0793 -6.0773 -5.7815 -5.7786 -5.3903 -5.3888 -4.4327 -4.4326 -4.3301 -4.3289 -4.0324 -4.0269 -3.8640 -3.8498 -3.6787 -3.6674 -3.2559 -3.2548 -3.1906 -3.1856 -3.0735 -3.0728 5.2772 5.2779 7.8169 7.8177 8.7925 8.8087 9.3836 9.4161 k = 0.1707-0.1207 0.6124 ( 3322 PWs) bands (ev): -24.0906 -24.0905 -23.2354 -23.2353 -23.1854 -23.1843 -23.1402 -23.1390 -8.7349 -8.7347 -6.1097 -6.1078 -5.7953 -5.7927 -5.3898 -5.3884 -4.4228 -4.4226 -4.3131 -4.3117 -4.0262 -4.0207 -3.8513 -3.8365 -3.6626 -3.6503 -3.2719 -3.2710 -3.2006 -3.1958 -3.0790 -3.0783 5.2445 5.2452 7.8052 7.8060 8.8280 8.8443 9.4398 9.4736 k = 0.1585-0.1121 0.6124 ( 3322 PWs) bands (ev): -24.0949 -24.0948 -23.2355 -23.2355 -23.1833 -23.1822 -23.1369 -23.1357 -8.7245 -8.7243 -6.1388 -6.1371 -5.8083 -5.8059 -5.3893 -5.3880 -4.4131 -4.4128 -4.2963 -4.2948 -4.0204 -4.0149 -3.8389 -3.8234 -3.6480 -3.6347 -3.2875 -3.2870 -3.2101 -3.2054 -3.0844 -3.0838 5.2137 5.2144 7.7941 7.7948 8.8621 8.8784 9.4947 9.5297 k = 0.1463-0.1035 0.6124 ( 3332 PWs) bands (ev): -24.0990 -24.0989 -23.2357 -23.2357 -23.1814 -23.1803 -23.1338 -23.1327 -8.7145 -8.7143 -6.1664 -6.1650 -5.8205 -5.8183 -5.3889 -5.3876 -4.4036 -4.4032 -4.2799 -4.2782 -4.0151 -4.0097 -3.8267 -3.8105 -3.6353 -3.6209 -3.3026 -3.3026 -3.2191 -3.2146 -3.0897 -3.0891 5.1850 5.1857 7.7836 7.7842 8.8947 8.9108 9.5481 9.5841 k = 0.1341-0.0949 0.6124 ( 3330 PWs) bands (ev): -24.1028 -24.1027 -23.2359 -23.2358 -23.1794 -23.1784 -23.1309 -23.1298 -8.7048 -8.7046 -6.1925 -6.1912 -5.8317 -5.8297 -5.3884 -5.3872 -4.3944 -4.3940 -4.2639 -4.2622 -4.0102 -4.0050 -3.8145 -3.7977 -3.6246 -3.6091 -3.3174 -3.3169 -3.2275 -3.2231 -3.0948 -3.0943 5.1583 5.1590 7.7737 7.7743 8.9255 8.9413 9.5999 9.6365 k = 0.1220-0.0862 0.6124 ( 3326 PWs) bands (ev): -24.1063 -24.1063 -23.2360 -23.2360 -23.1777 -23.1767 -23.1282 -23.1272 -8.6956 -8.6955 -6.2169 -6.2158 -5.8421 -5.8403 -5.3880 -5.3869 -4.3856 -4.3851 -4.2486 -4.2468 -4.0058 -4.0007 -3.8025 -3.7851 -3.6161 -3.5993 -3.3313 -3.3303 -3.2352 -3.2310 -3.0997 -3.0992 5.1338 5.1344 7.7646 7.7651 8.9545 8.9697 9.6499 9.6867 k = 0.1098-0.0776 0.6124 ( 3328 PWs) bands (ev): -24.1096 -24.1095 -23.2362 -23.2361 -23.1760 -23.1751 -23.1258 -23.1249 -8.6871 -8.6869 -6.2394 -6.2384 -5.8515 -5.8499 -5.3875 -5.3865 -4.3772 -4.3767 -4.2341 -4.2323 -4.0019 -3.9971 -3.7906 -3.7726 -3.6099 -3.5920 -3.3440 -3.3423 -3.2422 -3.2383 -3.1043 -3.1039 5.1114 5.1120 7.7562 7.7567 8.9814 8.9958 9.6977 9.7343 k = 0.0976-0.0690 0.6124 ( 3326 PWs) bands (ev): -24.1125 -24.1125 -23.2363 -23.2363 -23.1744 -23.1736 -23.1235 -23.1227 -8.6791 -8.6789 -6.2599 -6.2591 -5.8600 -5.8586 -5.3871 -5.3862 -4.3694 -4.3688 -4.2205 -4.2187 -3.9985 -3.9939 -3.7787 -3.7603 -3.6061 -3.5872 -3.3552 -3.3529 -3.2484 -3.2448 -3.1087 -3.1083 5.0913 5.0918 7.7486 7.7490 9.0060 9.0195 9.7431 9.7789 k = 0.0854-0.0604 0.6124 ( 3320 PWs) bands (ev): -24.1151 -24.1151 -23.2364 -23.2364 -23.1731 -23.1723 -23.1216 -23.1208 -8.6719 -8.6717 -6.2783 -6.2777 -5.8675 -5.8663 -5.3868 -5.3860 -4.3622 -4.3616 -4.2080 -4.2063 -3.9955 -3.9913 -3.7668 -3.7481 -3.6048 -3.5851 -3.3647 -3.3620 -3.2539 -3.2507 -3.1126 -3.1123 5.0735 5.0739 7.7418 7.7422 9.0283 9.0406 9.7857 9.8200 k = 0.0732-0.0517 0.6124 ( 3318 PWs) bands (ev): -24.1174 -24.1174 -23.2365 -23.2365 -23.1718 -23.1712 -23.1198 -23.1192 -8.6654 -8.6653 -6.2946 -6.2940 -5.8740 -5.8730 -5.3864 -5.3857 -4.3557 -4.3551 -4.1968 -4.1952 -3.9929 -3.9892 -3.7549 -3.7361 -3.6058 -3.5856 -3.3723 -3.3694 -3.2586 -3.2558 -3.1162 -3.1159 5.0579 5.0584 7.7358 7.7362 9.0480 9.0590 9.8250 9.8571 k = 0.0610-0.0431 0.6124 ( 3318 PWs) bands (ev): -24.1193 -24.1193 -23.2366 -23.2366 -23.1708 -23.1702 -23.1184 -23.1178 -8.6599 -8.6597 -6.3085 -6.3080 -5.8795 -5.8787 -5.3861 -5.3856 -4.3500 -4.3495 -4.1869 -4.1855 -3.9908 -3.9876 -3.7431 -3.7246 -3.6088 -3.5887 -3.3781 -3.3752 -3.2626 -3.2601 -3.1193 -3.1191 5.0447 5.0451 7.7308 7.7311 9.0651 9.0745 9.8605 9.8895 k = 0.0488-0.0345 0.6124 ( 3326 PWs) bands (ev): -24.1209 -24.1209 -23.2367 -23.2367 -23.1699 -23.1694 -23.1171 -23.1167 -8.6552 -8.6551 -6.3200 -6.3196 -5.8840 -5.8834 -5.3859 -5.3854 -4.3452 -4.3448 -4.1787 -4.1774 -3.9890 -3.9864 -3.7316 -3.7139 -3.6132 -3.5939 -3.3823 -3.3796 -3.2657 -3.2637 -3.1219 -3.1218 5.0339 5.0342 7.7266 7.7269 9.0795 9.0872 9.8916 9.9166 k = 0.0366-0.0259 0.6124 ( 3324 PWs) bands (ev): -24.1222 -24.1222 -23.2368 -23.2368 -23.1691 -23.1688 -23.1162 -23.1158 -8.6515 -8.6514 -6.3290 -6.3287 -5.8875 -5.8870 -5.3857 -5.3853 -4.3414 -4.3410 -4.1720 -4.1711 -3.9876 -3.9856 -3.7205 -3.7045 -3.6180 -3.6006 -3.3850 -3.3828 -3.2681 -3.2666 -3.1240 -3.1239 5.0255 5.0257 7.7234 7.7236 9.0910 9.0969 9.9177 9.9376 k = 0.0244-0.0172 0.6124 ( 3320 PWs) bands (ev): -24.1231 -24.1231 -23.2368 -23.2368 -23.1686 -23.1684 -23.1154 -23.1152 -8.6489 -8.6488 -6.3354 -6.3353 -5.8900 -5.8897 -5.3855 -5.3852 -4.3386 -4.3383 -4.1671 -4.1665 -3.9865 -3.9852 -3.7103 -3.6975 -3.6219 -3.6081 -3.3865 -3.3850 -3.2698 -3.2687 -3.1255 -3.1254 5.0195 5.0196 7.7210 7.7212 9.0995 9.1035 9.9381 9.9520 k = 0.0122-0.0086 0.6124 ( 3316 PWs) bands (ev): -24.1236 -24.1236 -23.2368 -23.2368 -23.1682 -23.1681 -23.1150 -23.1149 -8.6472 -8.6472 -6.3393 -6.3392 -5.8915 -5.8913 -5.3853 -5.3852 -4.3368 -4.3367 -4.1641 -4.1638 -3.9858 -3.9851 -3.7017 -3.6943 -3.6231 -3.6153 -3.3871 -3.3863 -3.2706 -3.2701 -3.1264 -3.1263 5.0159 5.0160 7.7197 7.7197 9.1051 9.1071 9.9522 9.9594 k = 0.0000 0.0000 0.6124 ( 3316 PWs) bands (ev): -24.1238 -24.1238 -23.2368 -23.2368 -23.1681 -23.1681 -23.1148 -23.1148 -8.6467 -8.6467 -6.3406 -6.3406 -5.8919 -5.8919 -5.3853 -5.3853 -4.3362 -4.3362 -4.1630 -4.1630 -3.9853 -3.9853 -3.6959 -3.6959 -3.6208 -3.6208 -3.3871 -3.3871 -3.2707 -3.2707 -3.1267 -3.1267 5.0147 5.0147 7.7192 7.7192 9.1076 9.1076 9.9594 9.9594 k = 0.0000 0.0000 0.6124 ( 3316 PWs) bands (ev): -24.1238 -24.1238 -23.2368 -23.2368 -23.1681 -23.1681 -23.1148 -23.1148 -8.6467 -8.6467 -6.3406 -6.3406 -5.8919 -5.8919 -5.3853 -5.3853 -4.3362 -4.3362 -4.1630 -4.1630 -3.9853 -3.9853 -3.6959 -3.6959 -3.6208 -3.6208 -3.3871 -3.3871 -3.2707 -3.2707 -3.1267 -3.1267 5.0147 5.0147 7.7192 7.7192 9.1076 9.1076 9.9594 9.9594 k = 0.0000 0.0000 0.5974 ( 3316 PWs) bands (ev): -24.1241 -24.1240 -23.2367 -23.2366 -23.1681 -23.1680 -23.1148 -23.1148 -8.6463 -8.6463 -6.3405 -6.3405 -5.8928 -5.8927 -5.3869 -5.3864 -4.3350 -4.3347 -4.1627 -4.1621 -3.9854 -3.9847 -3.6955 -3.6955 -3.6210 -3.6204 -3.3881 -3.3868 -3.2716 -3.2703 -3.1273 -3.1268 5.0110 5.0111 7.7224 7.7237 9.1068 9.1117 9.9598 9.9601 k = 0.0000 0.0000 0.5825 ( 3324 PWs) bands (ev): -24.1248 -24.1248 -23.2361 -23.2359 -23.1679 -23.1677 -23.1148 -23.1148 -8.6453 -8.6452 -6.3404 -6.3403 -5.8954 -5.8952 -5.3913 -5.3902 -4.3312 -4.3305 -4.1614 -4.1603 -3.9849 -3.9836 -3.6943 -3.6942 -3.6211 -3.6198 -3.3898 -3.3872 -3.2727 -3.2701 -3.1286 -3.1276 5.0000 5.0002 7.7332 7.7358 9.1093 9.1191 9.9612 9.9620 k = 0.0000 0.0000 0.5676 ( 3312 PWs) bands (ev): -24.1260 -24.1260 -23.2350 -23.2347 -23.1676 -23.1672 -23.1148 -23.1148 -8.6435 -8.6434 -6.3401 -6.3399 -5.8996 -5.8994 -5.3983 -5.3967 -4.3247 -4.3237 -4.1591 -4.1573 -3.9839 -3.9819 -3.6922 -3.6921 -3.6210 -3.6190 -3.3922 -3.3884 -3.2742 -3.2703 -3.1306 -3.1292 4.9819 4.9823 7.7514 7.7552 9.1151 9.1297 9.9638 9.9651 k = 0.0000 0.0000 0.5526 ( 3316 PWs) bands (ev): -24.1278 -24.1278 -23.2336 -23.2332 -23.1671 -23.1667 -23.1147 -23.1147 -8.6410 -8.6409 -6.3398 -6.3395 -5.9054 -5.9051 -5.4079 -5.4059 -4.3156 -4.3143 -4.1557 -4.1534 -3.9824 -3.9797 -3.6893 -3.6892 -3.6207 -3.6181 -3.3953 -3.3903 -3.2760 -3.2709 -3.1333 -3.1314 4.9572 4.9576 7.7765 7.7817 9.1240 9.1436 9.9675 9.9692 k = 0.0000 0.0000 0.5377 ( 3314 PWs) bands (ev): -24.1300 -24.1299 -23.2317 -23.2312 -23.1665 -23.1659 -23.1147 -23.1147 -8.6378 -8.6377 -6.3393 -6.3389 -5.9127 -5.9123 -5.4202 -5.4177 -4.3040 -4.3024 -4.1512 -4.1485 -3.9804 -3.9771 -3.6857 -3.6855 -3.6203 -3.6170 -3.3990 -3.3929 -3.2781 -3.2719 -3.1367 -3.1344 4.9262 4.9267 7.8082 7.8147 9.1362 9.1606 9.9722 9.9744 k = 0.0000 0.0000 0.5228 ( 3314 PWs) bands (ev): -24.1326 -24.1326 -23.2295 -23.2288 -23.1657 -23.1651 -23.1147 -23.1146 -8.6339 -8.6338 -6.3387 -6.3383 -5.9213 -5.9209 -5.4348 -5.4321 -4.2900 -4.2881 -4.1458 -4.1427 -3.9779 -3.9739 -3.6814 -3.6811 -3.6197 -3.6157 -3.4034 -3.3962 -3.2805 -3.2733 -3.1409 -3.1381 4.8895 4.8902 7.8457 7.8535 9.1514 9.1808 9.9779 9.9807 k = 0.0000 0.0000 0.5078 ( 3318 PWs) bands (ev): -24.1357 -24.1356 -23.2269 -23.2261 -23.1648 -23.1640 -23.1146 -23.1146 -8.6293 -8.6292 -6.3379 -6.3375 -5.9312 -5.9308 -5.4519 -5.4488 -4.2737 -4.2715 -4.1395 -4.1361 -3.9748 -3.9702 -3.6765 -3.6761 -3.6190 -3.6143 -3.4083 -3.4002 -3.2832 -3.2750 -3.1457 -3.1425 4.8478 4.8485 7.8886 7.8977 9.1698 9.2041 9.9846 9.9880 k = 0.0000 0.0000 0.4929 ( 3330 PWs) bands (ev): -24.1392 -24.1391 -23.2240 -23.2231 -23.1638 -23.1629 -23.1146 -23.1145 -8.6240 -8.6239 -6.3371 -6.3366 -5.9423 -5.9419 -5.4712 -5.4679 -4.2553 -4.2528 -4.1321 -4.1286 -3.9713 -3.9660 -3.6710 -3.6705 -3.6180 -3.6126 -3.4138 -3.4049 -3.2862 -3.2772 -3.1512 -3.1476 4.8015 4.8022 7.9361 7.9466 9.1911 9.2304 9.9921 9.9962 k = 0.0000 0.0000 0.4779 ( 3322 PWs) bands (ev): -24.1430 -24.1429 -23.2207 -23.2197 -23.1626 -23.1616 -23.1145 -23.1144 -8.6181 -8.6179 -6.3362 -6.3356 -5.9544 -5.9539 -5.4925 -5.4891 -4.2351 -4.2320 -4.1238 -4.1204 -3.9672 -3.9612 -3.6650 -3.6644 -3.6169 -3.6108 -3.4198 -3.4101 -3.2895 -3.2798 -3.1574 -3.1534 4.7512 4.7521 7.9876 7.9994 9.2153 9.2596 10.0005 10.0054 k = 0.0000 0.0000 0.4630 ( 3322 PWs) bands (ev): -24.1472 -24.1471 -23.2171 -23.2161 -23.1613 -23.1602 -23.1144 -23.1144 -8.6114 -8.6112 -6.3352 -6.3346 -5.9673 -5.9668 -5.5158 -5.5123 -4.2132 -4.2095 -4.1145 -4.1113 -3.9626 -3.9560 -3.6588 -3.6579 -3.6155 -3.6087 -3.4262 -3.4158 -3.2932 -3.2828 -3.1643 -3.1598 4.6977 4.6985 8.0424 8.0555 9.2422 9.2915 10.0095 10.0155 k = 0.0000 0.0000 0.4481 ( 3318 PWs) bands (ev): -24.1516 -24.1516 -23.2133 -23.2122 -23.1599 -23.1587 -23.1143 -23.1142 -8.6041 -8.6040 -6.3340 -6.3334 -5.9809 -5.9805 -5.5410 -5.5374 -4.1900 -4.1855 -4.1041 -4.1014 -3.9575 -3.9503 -3.6522 -3.6512 -3.6139 -3.6064 -3.4331 -3.4221 -3.2971 -3.2861 -3.1719 -3.1670 4.6414 4.6422 8.1000 8.1143 9.2719 9.3261 10.0192 10.0264 k = 0.0000 0.0000 0.4331 ( 3316 PWs) bands (ev): -24.1564 -24.1563 -23.2093 -23.2081 -23.1583 -23.1571 -23.1142 -23.1141 -8.5962 -8.5960 -6.3328 -6.3321 -5.9951 -5.9947 -5.5678 -5.5642 -4.1660 -4.1603 -4.0922 -4.0905 -3.9520 -3.9442 -3.6456 -3.6445 -3.6119 -3.6039 -3.4403 -3.4289 -3.3014 -3.2900 -3.1801 -3.1748 4.5828 4.5836 8.1596 8.1752 9.3040 9.3632 10.0293 10.0381 k = 0.0000 0.0000 0.4182 ( 3316 PWs) bands (ev): -24.1613 -24.1613 -23.2051 -23.2038 -23.1567 -23.1554 -23.1141 -23.1140 -8.5877 -8.5875 -6.3315 -6.3308 -6.0098 -6.0094 -5.5960 -5.5925 -4.1419 -4.1344 -4.0784 -4.0784 -3.9460 -3.9375 -3.6391 -3.6380 -3.6093 -3.6009 -3.4479 -3.4360 -3.3059 -3.2942 -3.1890 -3.1833 4.5224 4.5232 8.2208 8.2375 9.3385 9.4025 10.0397 10.0504 k = 0.0000 0.0000 0.4033 ( 3306 PWs) bands (ev): -24.1665 -24.1665 -23.2008 -23.1994 -23.1549 -23.1536 -23.1140 -23.1139 -8.5786 -8.5784 -6.3302 -6.3294 -6.0248 -6.0245 -5.6256 -5.6221 -4.1187 -4.1086 -4.0644 -4.0619 -3.9394 -3.9304 -3.6328 -3.6321 -3.6058 -3.5974 -3.4557 -3.4435 -3.3108 -3.2988 -3.1985 -3.1924 4.4606 4.4615 8.2831 8.3008 9.3751 9.4440 10.0502 10.0633 k = 0.0000 0.0000 0.3883 ( 3326 PWs) bands (ev): -24.1719 -24.1718 -23.1963 -23.1949 -23.1531 -23.1517 -23.1139 -23.1138 -8.5689 -8.5687 -6.3288 -6.3280 -6.0401 -6.0398 -5.6563 -5.6530 -4.0976 -4.0848 -4.0470 -4.0418 -3.9325 -3.9229 -3.6272 -3.6270 -3.6013 -3.5934 -3.4638 -3.4513 -3.3160 -3.3038 -3.2087 -3.2022 4.3980 4.3988 8.3458 8.3644 9.4138 9.4873 10.0604 10.0768 k = 0.0000 0.0000 0.3734 ( 3320 PWs) bands (ev): -24.1773 -24.1773 -23.1917 -23.1903 -23.1512 -23.1497 -23.1137 -23.1137 -8.5587 -8.5585 -6.3273 -6.3265 -6.0554 -6.0552 -5.6879 -5.6848 -4.0790 -4.0646 -4.0246 -4.0178 -3.9251 -3.9149 -3.6234 -3.6219 -3.5956 -3.5887 -3.4720 -3.4594 -3.3215 -3.3092 -3.2194 -3.2126 4.3347 4.3356 8.4086 8.4278 9.4542 9.5323 10.0701 10.0907 k = 0.0000 0.0000 0.3585 ( 3316 PWs) bands (ev): -24.1829 -24.1829 -23.1871 -23.1856 -23.1492 -23.1477 -23.1136 -23.1135 -8.5480 -8.5478 -6.3258 -6.3249 -6.0708 -6.0707 -5.7204 -5.7173 -4.0623 -4.0478 -3.9977 -3.9907 -3.9172 -3.9065 -3.6206 -3.6176 -3.5889 -3.5832 -3.4802 -3.4676 -3.3273 -3.3149 -3.2307 -3.2236 4.2713 4.2721 8.4708 8.4905 9.4961 9.5787 10.0788 10.1049 k = 0.0000 0.0000 0.3435 ( 3316 PWs) bands (ev): -24.1885 -24.1885 -23.1825 -23.1809 -23.1472 -23.1456 -23.1134 -23.1134 -8.5369 -8.5367 -6.3242 -6.3234 -6.0861 -6.0860 -5.7534 -5.7506 -4.0468 -4.0326 -3.9682 -3.9615 -3.9089 -3.8977 -3.6186 -3.6141 -3.5816 -3.5772 -3.4885 -3.4759 -3.3333 -3.3210 -3.2426 -3.2352 4.2081 4.2088 8.5322 8.5521 9.5393 9.6261 10.0857 10.1194 k = 0.0000 0.0000 0.3286 ( 3316 PWs) bands (ev): -24.1942 -24.1941 -23.1778 -23.1763 -23.1451 -23.1435 -23.1133 -23.1132 -8.5253 -8.5251 -6.3226 -6.3218 -6.1012 -6.1012 -5.7869 -5.7842 -4.0318 -4.0181 -3.9374 -3.9312 -3.9000 -3.8885 -3.6171 -3.6113 -3.5740 -3.5707 -3.4967 -3.4842 -3.3396 -3.3275 -3.2551 -3.2473 4.1452 4.1459 8.5922 8.6120 9.5835 9.6742 10.0903 10.1341 k = 0.0000 0.0000 0.3137 ( 3316 PWs) bands (ev): -24.1998 -24.1998 -23.1733 -23.1717 -23.1430 -23.1413 -23.1131 -23.1130 -8.5133 -8.5132 -6.3210 -6.3202 -6.1162 -6.1161 -5.8207 -5.8181 -4.0170 -4.0037 -3.9061 -3.9012 -3.8897 -3.8788 -3.6162 -3.6093 -3.5662 -3.5639 -3.5048 -3.4925 -3.3462 -3.3342 -3.2680 -3.2600 4.0831 4.0837 8.6505 8.6699 9.6284 9.7228 10.0925 10.1488 k = 0.0000 0.0000 0.2987 ( 3309 PWs) bands (ev): -24.2054 -24.2054 -23.1687 -23.1671 -23.1408 -23.1392 -23.1130 -23.1128 -8.5011 -8.5009 -6.3194 -6.3186 -6.1308 -6.1307 -5.8545 -5.8522 -4.0021 -3.9891 -3.8834 -3.8752 -3.8681 -3.8665 -3.6156 -3.6079 -3.5585 -3.5570 -3.5126 -3.5007 -3.3530 -3.3412 -3.2815 -3.2732 4.0220 4.0225 8.7065 8.7253 9.6736 9.7714 10.0927 10.1632 k = 0.0000 0.0000 0.2838 ( 3309 PWs) bands (ev): -24.2109 -24.2109 -23.1643 -23.1627 -23.1386 -23.1370 -23.1128 -23.1127 -8.4885 -8.4884 -6.3179 -6.3171 -6.1451 -6.1449 -5.8882 -5.8861 -3.9871 -3.9743 -3.8730 -3.8593 -3.8422 -3.8355 -3.6154 -3.6071 -3.5509 -3.5502 -3.5200 -3.5087 -3.3600 -3.3485 -3.2954 -3.2869 3.9621 3.9626 8.7601 8.7779 9.7190 9.8197 10.0921 10.1770 k = 0.0000 0.0000 0.2688 ( 3309 PWs) bands (ev): -24.2163 -24.2163 -23.1600 -23.1585 -23.1364 -23.1348 -23.1126 -23.1125 -8.4758 -8.4757 -6.3163 -6.3156 -6.1589 -6.1587 -5.9217 -5.9197 -3.9718 -3.9592 -3.8628 -3.8485 -3.8112 -3.8043 -3.6156 -3.6070 -3.5436 -3.5436 -3.5270 -3.5164 -3.3672 -3.3560 -3.3096 -3.3010 3.9037 3.9041 8.8107 8.8273 9.7641 9.8671 10.0920 10.1889 k = 0.0000 0.0000 0.2539 ( 3307 PWs) bands (ev): -24.2216 -24.2216 -23.1559 -23.1544 -23.1342 -23.1326 -23.1124 -23.1122 -8.4630 -8.4629 -6.3149 -6.3142 -6.1722 -6.1719 -5.9547 -5.9529 -3.9562 -3.9439 -3.8523 -3.8376 -3.7806 -3.7735 -3.6162 -3.6075 -3.5373 -3.5370 -3.5333 -3.5233 -3.3746 -3.3637 -3.3242 -3.3155 3.8470 3.8474 8.8580 8.8732 9.8085 9.9131 10.0936 10.1974 k = 0.0000 0.0000 0.2390 ( 3315 PWs) bands (ev): -24.2267 -24.2267 -23.1520 -23.1506 -23.1320 -23.1305 -23.1121 -23.1120 -8.4502 -8.4501 -6.3135 -6.3129 -6.1849 -6.1846 -5.9871 -5.9855 -3.9403 -3.9282 -3.8417 -3.8264 -3.7509 -3.7433 -3.6171 -3.6088 -3.5393 -3.5347 -3.5309 -3.5260 -3.3822 -3.3715 -3.3390 -3.3302 3.7922 3.7926 8.9019 8.9154 9.8520 9.9570 10.0979 10.2038 k = 0.0000 0.0000 0.2240 ( 3321 PWs) bands (ev): -24.2316 -24.2316 -23.1482 -23.1469 -23.1297 -23.1283 -23.1119 -23.1118 -8.4373 -8.4372 -6.3123 -6.3116 -6.1970 -6.1967 -6.0187 -6.0173 -3.9241 -3.9122 -3.8308 -3.8151 -3.7223 -3.7141 -3.6182 -3.6107 -3.5444 -3.5399 -3.5254 -3.5212 -3.3900 -3.3794 -3.3538 -3.3453 3.7396 3.7399 8.9420 8.9538 9.8942 9.9975 10.1062 10.2108 k = 0.0000 0.0000 0.2091 ( 3321 PWs) bands (ev): -24.2363 -24.2363 -23.1447 -23.1435 -23.1275 -23.1262 -23.1117 -23.1115 -8.4246 -8.4246 -6.3111 -6.3106 -6.2084 -6.2080 -6.0493 -6.0480 -3.9076 -3.8958 -3.8196 -3.8035 -3.6952 -3.6861 -3.6196 -3.6132 -3.5489 -3.5462 -3.5203 -3.5153 -3.3982 -3.3874 -3.3683 -3.3603 3.6893 3.6896 8.9783 8.9884 9.9348 10.0330 10.1201 10.2197 k = 0.0000 0.0000 0.1942 ( 3317 PWs) bands (ev): -24.2408 -24.2408 -23.1415 -23.1404 -23.1253 -23.1242 -23.1114 -23.1113 -8.4122 -8.4121 -6.3102 -6.3097 -6.2191 -6.2187 -6.0787 -6.0776 -3.8908 -3.8792 -3.8083 -3.7917 -3.6703 -3.6598 -3.6205 -3.6160 -3.5527 -3.5524 -3.5158 -3.5096 -3.4072 -3.3955 -3.3820 -3.3752 3.6415 3.6418 9.0107 9.0190 9.9733 10.0616 10.1410 10.2308 k = 0.0000 0.0000 0.1792 ( 3317 PWs) bands (ev): -24.2451 -24.2451 -23.1385 -23.1376 -23.1232 -23.1222 -23.1111 -23.1110 -8.4000 -8.3999 -6.3095 -6.3091 -6.2290 -6.2285 -6.1068 -6.1057 -3.8738 -3.8623 -3.7968 -3.7797 -3.6496 -3.6371 -3.6194 -3.6174 -3.5585 -3.5560 -3.5123 -3.5044 -3.4174 -3.4039 -3.3940 -3.3893 3.5965 3.5967 9.0392 9.0460 10.0096 10.0837 10.1681 10.2439 k = 0.0000 0.0000 0.1643 ( 3325 PWs) bands (ev): -24.2491 -24.2490 -23.1358 -23.1351 -23.1210 -23.1202 -23.1108 -23.1107 -8.3883 -8.3882 -6.3091 -6.3088 -6.2381 -6.2375 -6.1332 -6.1323 -3.8564 -3.8451 -3.7851 -3.7676 -3.6387 -3.6288 -3.6109 -3.6067 -3.5643 -3.5588 -3.5098 -3.4999 -3.4292 -3.4134 -3.4037 -3.4015 3.5544 3.5545 9.0641 9.0693 10.0433 10.1019 10.1983 10.2586 k = 0.0000 0.0000 0.1494 ( 3331 PWs) bands (ev): -24.2527 -24.2527 -23.1334 -23.1328 -23.1190 -23.1183 -23.1104 -23.1104 -8.3771 -8.3771 -6.3091 -6.3089 -6.2462 -6.2456 -6.1580 -6.1572 -3.8388 -3.8277 -3.7734 -3.7554 -3.6373 -3.6312 -3.5962 -3.5887 -3.5696 -3.5603 -3.5088 -3.4963 -3.4415 -3.4245 -3.4114 -3.4107 3.5153 3.5154 9.0854 9.0894 10.0743 10.1183 10.2288 10.2746 k = 0.0000 0.0000 0.1344 ( 3339 PWs) bands (ev): -24.2561 -24.2561 -23.1313 -23.1309 -23.1171 -23.1166 -23.1101 -23.1100 -8.3666 -8.3665 -6.3096 -6.3095 -6.2533 -6.2527 -6.1807 -6.1800 -3.8209 -3.8101 -3.7615 -3.7432 -3.6388 -3.6350 -3.5854 -3.5773 -3.5712 -3.5565 -3.5100 -3.4945 -3.4525 -3.4354 -3.4176 -3.4175 3.4794 3.4795 9.1034 9.1063 10.1022 10.1338 10.2581 10.2914 k = 0.0000 0.0000 0.1195 ( 3339 PWs) bands (ev): -24.2592 -24.2592 -23.1295 -23.1292 -23.1153 -23.1149 -23.1097 -23.1097 -8.3568 -8.3567 -6.3106 -6.3106 -6.2594 -6.2587 -6.2013 -6.2007 -3.8028 -3.7923 -3.7496 -3.7310 -3.6410 -3.6389 -3.5869 -3.5767 -3.5641 -3.5450 -3.5138 -3.4959 -3.4592 -3.4440 -3.4230 -3.4227 3.4469 3.4470 9.1185 9.1206 10.1270 10.1486 10.2853 10.3083 k = 0.0000 0.0000 0.1046 ( 3339 PWs) bands (ev): -24.2619 -24.2619 -23.1280 -23.1278 -23.1136 -23.1134 -23.1094 -23.1094 -8.3478 -8.3478 -6.3123 -6.3123 -6.2643 -6.2637 -6.2195 -6.2191 -3.7846 -3.7744 -3.7378 -3.7187 -3.6434 -3.6427 -3.5929 -3.5801 -3.5584 -3.5348 -3.5192 -3.5001 -3.4604 -3.4493 -3.4273 -3.4267 3.4179 3.4179 9.1309 9.1323 10.1486 10.1626 10.3098 10.3249 k = 0.0000 0.0000 0.0896 ( 3345 PWs) bands (ev): -24.2643 -24.2643 -23.1268 -23.1266 -23.1121 -23.1120 -23.1091 -23.1090 -8.3398 -8.3398 -6.3146 -6.3146 -6.2682 -6.2676 -6.2352 -6.2348 -3.7662 -3.7565 -3.7259 -3.7066 -3.6462 -3.6456 -3.5999 -3.5851 -3.5596 -3.5378 -3.5170 -3.5037 -3.4576 -3.4509 -3.4306 -3.4299 3.3925 3.3925 9.1410 9.1419 10.1670 10.1755 10.3314 10.3406 k = 0.0000 0.0000 0.0747 ( 3345 PWs) bands (ev): -24.2664 -24.2663 -23.1257 -23.1257 -23.1109 -23.1108 -23.1087 -23.1087 -8.3329 -8.3329 -6.3174 -6.3174 -6.2711 -6.2706 -6.2483 -6.2480 -3.7478 -3.7387 -3.7142 -3.6947 -3.6494 -3.6473 -3.6074 -3.5911 -3.5679 -3.5502 -3.5107 -3.5044 -3.4531 -3.4497 -3.4331 -3.4323 3.3708 3.3708 9.1490 9.1495 10.1823 10.1870 10.3499 10.3550 k = 0.0000 0.0000 0.0597 ( 3345 PWs) bands (ev): -24.2680 -24.2680 -23.1249 -23.1249 -23.1098 -23.1098 -23.1084 -23.1084 -8.3271 -8.3271 -6.3205 -6.3205 -6.2731 -6.2727 -6.2586 -6.2584 -3.7294 -3.7212 -3.7027 -3.6830 -3.6522 -3.6486 -3.6155 -3.5980 -3.5807 -3.5652 -3.5061 -3.5035 -3.4481 -3.4466 -3.4348 -3.4341 3.3529 3.3530 9.1552 9.1554 10.1945 10.1968 10.3650 10.3674 k = 0.0000 0.0000 0.0448 ( 3345 PWs) bands (ev): -24.2693 -24.2693 -23.1243 -23.1243 -23.1090 -23.1089 -23.1082 -23.1082 -8.3224 -8.3224 -6.3235 -6.3235 -6.2745 -6.2742 -6.2664 -6.2663 -3.7113 -3.7045 -3.6913 -3.6717 -3.6546 -3.6491 -3.6237 -3.6056 -3.5959 -3.5813 -3.5033 -3.5024 -3.4435 -3.4430 -3.4359 -3.4353 3.3390 3.3390 9.1598 9.1599 10.2038 10.2048 10.3768 10.3777 k = 0.0000 0.0000 0.0299 ( 3345 PWs) bands (ev): -24.2703 -24.2703 -23.1239 -23.1239 -23.1084 -23.1084 -23.1080 -23.1080 -8.3191 -8.3191 -6.3260 -6.3260 -6.2754 -6.2751 -6.2718 -6.2717 -3.6939 -3.6895 -3.6802 -3.6613 -3.6565 -3.6486 -3.6313 -3.6136 -3.6115 -3.5976 -3.5017 -3.5015 -3.4399 -3.4398 -3.4365 -3.4361 3.3289 3.3289 9.1629 9.1629 10.2103 10.2106 10.3852 10.3853 k = 0.0000 0.0000 0.0149 ( 3349 PWs) bands (ev): -24.2709 -24.2709 -23.1237 -23.1237 -23.1080 -23.1080 -23.1079 -23.1079 -8.3171 -8.3171 -6.3277 -6.3277 -6.2758 -6.2757 -6.2749 -6.2748 -3.6795 -3.6784 -3.6687 -3.6575 -3.6544 -3.6485 -3.6349 -3.6246 -3.6216 -3.6135 -3.5010 -3.5009 -3.4376 -3.4376 -3.4368 -3.4366 3.3229 3.3229 9.1647 9.1647 10.2141 10.2142 10.3901 10.3901 k = 0.0000 0.0000 0.0000 ( 3367 PWs) bands (ev): -24.2711 -24.2711 -23.1236 -23.1236 -23.1079 -23.1079 -23.1079 -23.1079 -8.3164 -8.3164 -6.3283 -6.3283 -6.2759 -6.2759 -6.2759 -6.2759 -3.6739 -3.6739 -3.6558 -3.6558 -3.6558 -3.6558 -3.6275 -3.6275 -3.6275 -3.6275 -3.5007 -3.5007 -3.4368 -3.4368 -3.4368 -3.4368 3.3209 3.3209 9.1653 9.1653 10.2154 10.2154 10.3917 10.3917 k = 0.0000 0.0000 0.0000 ( 3367 PWs) bands (ev): -24.2711 -24.2711 -23.1236 -23.1236 -23.1079 -23.1079 -23.1079 -23.1079 -8.3164 -8.3164 -6.3283 -6.3283 -6.2759 -6.2759 -6.2759 -6.2759 -3.6739 -3.6739 -3.6558 -3.6558 -3.6558 -3.6558 -3.6275 -3.6275 -3.6275 -3.6275 -3.5007 -3.5007 -3.4368 -3.4368 -3.4368 -3.4368 3.3209 3.3209 9.1653 9.1653 10.2154 10.2154 10.3917 10.3917 k = 0.0050 0.0071 0.0122 ( 3343 PWs) bands (ev): -24.2709 -24.2709 -23.1237 -23.1237 -23.1080 -23.1080 -23.1079 -23.1079 -8.3171 -8.3171 -6.3277 -6.3277 -6.2759 -6.2757 -6.2748 -6.2748 -3.6786 -3.6786 -3.6698 -3.6552 -3.6552 -3.6511 -3.6325 -3.6234 -3.6234 -3.6136 -3.5009 -3.5009 -3.4377 -3.4377 -3.4367 -3.4366 3.3229 3.3229 9.1647 9.1647 10.2141 10.2141 10.3902 10.3902 k = 0.0100 0.0141 0.0245 ( 3343 PWs) bands (ev): -24.2703 -24.2703 -23.1239 -23.1239 -23.1084 -23.1084 -23.1080 -23.1080 -8.3191 -8.3191 -6.3260 -6.3260 -6.2756 -6.2754 -6.2714 -6.2714 -3.6894 -3.6894 -3.6849 -3.6632 -3.6542 -3.6542 -3.6212 -3.6142 -3.6142 -3.5992 -3.5016 -3.5016 -3.4400 -3.4400 -3.4363 -3.4359 3.3290 3.3290 9.1629 9.1629 10.2104 10.2104 10.3855 10.3855 k = 0.0150 0.0212 0.0367 ( 3343 PWs) bands (ev): -24.2693 -24.2693 -23.1243 -23.1243 -23.1090 -23.1090 -23.1082 -23.1082 -8.3225 -8.3225 -6.3236 -6.3236 -6.2752 -6.2748 -6.2655 -6.2655 -3.7026 -3.7026 -3.7004 -3.6782 -3.6531 -3.6531 -3.6075 -3.6032 -3.6032 -3.5851 -3.5030 -3.5030 -3.4436 -3.4436 -3.4353 -3.4349 3.3391 3.3391 9.1597 9.1597 10.2043 10.2043 10.3780 10.3780 k = 0.0200 0.0283 0.0490 ( 3343 PWs) bands (ev): -24.2680 -24.2680 -23.1249 -23.1249 -23.1098 -23.1098 -23.1084 -23.1084 -8.3271 -8.3271 -6.3207 -6.3207 -6.2746 -6.2741 -6.2567 -6.2567 -3.7167 -3.7167 -3.7158 -3.6937 -3.6516 -3.6516 -3.5940 -3.5923 -3.5923 -3.5717 -3.5056 -3.5056 -3.4475 -3.4475 -3.4338 -3.4334 3.3532 3.3532 9.1551 9.1551 10.1958 10.1958 10.3678 10.3678 k = 0.0250 0.0354 0.0612 ( 3349 PWs) bands (ev): -24.2663 -24.2663 -23.1258 -23.1258 -23.1109 -23.1109 -23.1087 -23.1087 -8.3330 -8.3330 -6.3178 -6.3178 -6.2737 -6.2731 -6.2449 -6.2449 -3.7313 -3.7312 -3.7312 -3.7092 -3.6498 -3.6498 -3.5825 -3.5825 -3.5812 -3.5593 -3.5101 -3.5101 -3.4508 -3.4508 -3.4315 -3.4313 3.3712 3.3712 9.1487 9.1487 10.1850 10.1850 10.3552 10.3552 k = 0.0300 0.0424 0.0735 ( 3334 PWs) bands (ev): -24.2643 -24.2643 -23.1268 -23.1268 -23.1120 -23.1120 -23.1090 -23.1090 -8.3399 -8.3399 -6.3150 -6.3150 -6.2727 -6.2719 -6.2299 -6.2299 -3.7465 -3.7459 -3.7459 -3.7247 -3.6477 -3.6477 -3.5745 -3.5745 -3.5693 -3.5481 -3.5171 -3.5171 -3.4520 -3.4520 -3.4284 -3.4282 3.3931 3.3931 9.1404 9.1404 10.1723 10.1723 10.3408 10.3408 k = 0.0350 0.0495 0.0857 ( 3340 PWs) bands (ev): -24.2619 -24.2619 -23.1282 -23.1282 -23.1133 -23.1133 -23.1094 -23.1094 -8.3478 -8.3478 -6.3123 -6.3123 -6.2714 -6.2706 -6.2120 -6.2120 -3.7616 -3.7605 -3.7605 -3.7400 -3.6452 -3.6452 -3.5696 -3.5696 -3.5587 -3.5384 -3.5264 -3.5264 -3.4505 -3.4505 -3.4247 -3.4238 3.4187 3.4187 9.1298 9.1298 10.1579 10.1579 10.3247 10.3247 k = 0.0400 0.0566 0.0980 ( 3334 PWs) bands (ev): -24.2591 -24.2591 -23.1298 -23.1298 -23.1145 -23.1145 -23.1099 -23.1099 -8.3567 -8.3567 -6.3097 -6.3097 -6.2700 -6.2690 -6.1912 -6.1912 -3.7765 -3.7750 -3.7750 -3.7551 -3.6423 -3.6423 -3.5700 -3.5700 -3.5495 -3.5357 -3.5357 -3.5305 -3.4461 -3.4461 -3.4198 -3.4180 3.4479 3.4479 9.1166 9.1166 10.1421 10.1421 10.3075 10.3075 k = 0.0450 0.0636 0.1102 ( 3322 PWs) bands (ev): -24.2561 -24.2561 -23.1318 -23.1318 -23.1158 -23.1158 -23.1104 -23.1104 -8.3664 -8.3664 -6.3071 -6.3071 -6.2683 -6.2672 -6.1679 -6.1679 -3.7911 -3.7892 -3.7892 -3.7699 -3.6391 -3.6391 -3.5791 -3.5791 -3.5419 -3.5414 -3.5414 -3.5244 -3.4392 -3.4392 -3.4138 -3.4108 3.4807 3.4807 9.1004 9.1004 10.1254 10.1254 10.2895 10.2895 k = 0.0500 0.0707 0.1225 ( 3328 PWs) bands (ev): -24.2527 -24.2527 -23.1342 -23.1342 -23.1171 -23.1171 -23.1110 -23.1110 -8.3767 -8.3767 -6.3045 -6.3045 -6.2664 -6.2652 -6.1423 -6.1423 -3.8053 -3.8033 -3.8033 -3.7844 -3.6355 -3.6355 -3.5960 -3.5960 -3.5435 -3.5435 -3.5360 -3.5202 -3.4305 -3.4305 -3.4067 -3.4023 3.5168 3.5168 9.0808 9.0808 10.1082 10.1082 10.2711 10.2711 k = 0.0550 0.0778 0.1347 ( 3322 PWs) bands (ev): -24.2490 -24.2490 -23.1369 -23.1369 -23.1184 -23.1184 -23.1116 -23.1116 -8.3877 -8.3877 -6.3018 -6.3018 -6.2643 -6.2630 -6.1147 -6.1147 -3.8192 -3.8169 -3.8169 -3.7986 -3.6317 -3.6317 -3.6174 -3.6174 -3.5446 -3.5446 -3.5317 -3.5176 -3.4204 -3.4204 -3.3984 -3.3926 3.5561 3.5561 9.0576 9.0576 10.0907 10.0907 10.2529 10.2529 k = 0.0600 0.0849 0.1470 ( 3322 PWs) bands (ev): -24.2450 -24.2450 -23.1399 -23.1399 -23.1196 -23.1196 -23.1123 -23.1123 -8.3991 -8.3991 -6.2990 -6.2990 -6.2619 -6.2606 -6.0852 -6.0852 -3.8327 -3.8303 -3.8303 -3.8124 -3.6423 -3.6423 -3.6269 -3.6269 -3.5460 -3.5460 -3.5290 -3.5165 -3.4094 -3.4094 -3.3892 -3.3822 3.5985 3.5985 9.0305 9.0305 10.0732 10.0732 10.2353 10.2353 k = 0.0650 0.0919 0.1592 ( 3319 PWs) bands (ev): -24.2408 -24.2408 -23.1431 -23.1431 -23.1208 -23.1208 -23.1131 -23.1131 -8.4108 -8.4108 -6.2960 -6.2960 -6.2593 -6.2579 -6.0543 -6.0543 -3.8458 -3.8432 -3.8432 -3.8258 -3.6687 -3.6687 -3.6224 -3.6224 -3.5479 -3.5479 -3.5276 -3.5165 -3.3979 -3.3979 -3.3792 -3.3712 3.6437 3.6437 8.9994 8.9994 10.0553 10.0553 10.2192 10.2192 k = 0.0700 0.0990 0.1715 ( 3319 PWs) bands (ev): -24.2364 -24.2364 -23.1467 -23.1467 -23.1219 -23.1219 -23.1139 -23.1139 -8.4228 -8.4228 -6.2929 -6.2929 -6.2565 -6.2550 -6.0220 -6.0220 -3.8584 -3.8557 -3.8557 -3.8388 -3.6969 -3.6969 -3.6174 -3.6174 -3.5502 -3.5502 -3.5273 -3.5175 -3.3862 -3.3862 -3.3688 -3.3599 3.6917 3.6917 8.9643 8.9643 10.0367 10.0367 10.1953 10.1991 k = 0.0750 0.1061 0.1837 ( 3328 PWs) bands (ev): -24.2317 -24.2317 -23.1504 -23.1504 -23.1231 -23.1231 -23.1148 -23.1148 -8.4349 -8.4349 -6.2896 -6.2896 -6.2534 -6.2519 -5.9888 -5.9888 -3.8705 -3.8678 -3.8678 -3.8513 -3.7265 -3.7265 -3.6121 -3.6121 -3.5530 -3.5530 -3.5281 -3.5193 -3.3745 -3.3745 -3.3581 -3.3486 3.7421 3.7421 8.9255 8.9255 10.0166 10.0166 10.1661 10.1701 k = 0.0800 0.1131 0.1960 ( 3328 PWs) bands (ev): -24.2269 -24.2269 -23.1543 -23.1543 -23.1243 -23.1243 -23.1158 -23.1158 -8.4470 -8.4470 -6.2861 -6.2861 -6.2501 -6.2485 -5.9549 -5.9549 -3.8821 -3.8794 -3.8794 -3.8633 -3.7570 -3.7570 -3.6065 -3.6065 -3.5563 -3.5563 -3.5296 -3.5218 -3.3629 -3.3629 -3.3472 -3.3372 3.7948 3.7948 8.8830 8.8830 9.9942 9.9942 10.1350 10.1392 k = 0.0850 0.1202 0.2082 ( 3328 PWs) bands (ev): -24.2219 -24.2219 -23.1583 -23.1583 -23.1255 -23.1255 -23.1167 -23.1167 -8.4591 -8.4591 -6.2823 -6.2823 -6.2465 -6.2449 -5.9205 -5.9205 -3.8933 -3.8906 -3.8906 -3.8749 -3.7883 -3.7883 -3.6005 -3.6005 -3.5599 -3.5599 -3.5319 -3.5248 -3.3515 -3.3515 -3.3365 -3.3261 3.8496 3.8496 8.8374 8.8374 9.9691 9.9691 10.1020 10.1063 k = 0.0900 0.1273 0.2205 ( 3328 PWs) bands (ev): -24.2167 -24.2167 -23.1625 -23.1625 -23.1267 -23.1267 -23.1178 -23.1178 -8.4711 -8.4711 -6.2783 -6.2783 -6.2427 -6.2410 -5.8859 -5.8859 -3.9038 -3.9012 -3.9012 -3.8858 -3.8200 -3.8200 -3.5944 -3.5944 -3.5638 -3.5638 -3.5348 -3.5284 -3.3405 -3.3405 -3.3259 -3.3153 3.9062 3.9062 8.7892 8.7892 9.9410 9.9410 10.0670 10.0715 k = 0.0950 0.1344 0.2327 ( 3322 PWs) bands (ev): -24.2115 -24.2115 -23.1666 -23.1666 -23.1279 -23.1279 -23.1189 -23.1189 -8.4828 -8.4828 -6.2741 -6.2741 -6.2386 -6.2368 -5.8515 -5.8515 -3.9139 -3.9114 -3.9114 -3.8963 -3.8518 -3.8518 -3.5881 -3.5881 -3.5679 -3.5679 -3.5383 -3.5324 -3.3298 -3.3298 -3.3155 -3.3049 3.9645 3.9645 8.7388 8.7388 9.9100 9.9100 10.0303 10.0349 k = 0.1000 0.1414 0.2449 ( 3316 PWs) bands (ev): -24.2061 -24.2061 -23.1708 -23.1708 -23.1292 -23.1292 -23.1200 -23.1200 -8.4943 -8.4943 -6.2696 -6.2696 -6.2342 -6.2324 -5.8175 -5.8175 -3.9233 -3.9212 -3.9212 -3.9062 -3.8833 -3.8833 -3.5823 -3.5823 -3.5715 -3.5715 -3.5422 -3.5368 -3.3197 -3.3197 -3.3056 -3.2949 4.0241 4.0241 8.6869 8.6869 9.8764 9.8764 9.9918 9.9965 k = 0.1050 0.1485 0.2572 ( 3319 PWs) bands (ev): -24.2007 -24.2007 -23.1749 -23.1749 -23.1305 -23.1305 -23.1213 -23.1213 -8.5054 -8.5054 -6.2649 -6.2649 -6.2295 -6.2277 -5.7843 -5.7843 -3.9322 -3.9315 -3.9315 -3.9156 -3.9134 -3.9134 -3.5809 -3.5809 -3.5707 -3.5707 -3.5466 -3.5416 -3.3101 -3.3101 -3.2961 -3.2854 4.0848 4.0848 8.6341 8.6341 9.8405 9.8405 9.9517 9.9565 k = 0.1100 0.1556 0.2694 ( 3313 PWs) bands (ev): -24.1953 -24.1953 -23.1789 -23.1789 -23.1318 -23.1318 -23.1225 -23.1225 -8.5162 -8.5162 -6.2598 -6.2598 -6.2245 -6.2227 -5.7523 -5.7523 -3.9495 -3.9495 -3.9405 -3.9344 -3.9344 -3.9243 -3.5849 -3.5849 -3.5646 -3.5646 -3.5514 -3.5468 -3.3010 -3.3010 -3.2870 -3.2765 4.1463 4.1463 8.5809 8.5809 9.8024 9.8024 9.9101 9.9149 k = 0.1150 0.1626 0.2817 ( 3313 PWs) bands (ev): -24.1899 -24.1899 -23.1829 -23.1829 -23.1332 -23.1332 -23.1238 -23.1238 -8.5265 -8.5265 -6.2545 -6.2545 -6.2193 -6.2175 -5.7217 -5.7217 -3.9772 -3.9772 -3.9482 -3.9441 -3.9440 -3.9325 -3.5901 -3.5901 -3.5573 -3.5573 -3.5566 -3.5523 -3.2926 -3.2926 -3.2785 -3.2682 4.2084 4.2084 8.5279 8.5279 9.7626 9.7626 9.8670 9.8719 k = 0.1200 0.1697 0.2939 ( 3307 PWs) bands (ev): -24.1845 -24.1845 -23.1867 -23.1867 -23.1346 -23.1346 -23.1252 -23.1252 -8.5363 -8.5363 -6.2489 -6.2489 -6.2137 -6.2119 -5.6929 -5.6929 -4.0050 -4.0050 -3.9553 -3.9517 -3.9517 -3.9401 -3.5959 -3.5959 -3.5621 -3.5581 -3.5495 -3.5495 -3.2847 -3.2847 -3.2706 -3.2605 4.2708 4.2708 8.4758 8.4758 9.7211 9.7211 9.8227 9.8276 k = 0.1250 0.1768 0.3062 ( 3304 PWs) bands (ev): -24.1792 -24.1792 -23.1904 -23.1904 -23.1360 -23.1360 -23.1266 -23.1266 -8.5456 -8.5456 -6.2430 -6.2430 -6.2078 -6.2061 -5.6664 -5.6664 -4.0311 -4.0311 -3.9618 -3.9584 -3.9584 -3.9472 -3.6020 -3.6020 -3.5680 -3.5642 -3.5413 -3.5413 -3.2776 -3.2776 -3.2633 -3.2535 4.3332 4.3332 8.4250 8.4250 9.6782 9.6782 9.7772 9.7821 k = 0.1300 0.1838 0.3184 ( 3310 PWs) bands (ev): -24.1740 -24.1740 -23.1938 -23.1938 -23.1375 -23.1375 -23.1280 -23.1280 -8.5544 -8.5544 -6.2368 -6.2368 -6.2017 -6.1999 -5.6425 -5.6425 -4.0553 -4.0553 -3.9677 -3.9645 -3.9645 -3.9536 -3.6084 -3.6084 -3.5742 -3.5706 -3.5329 -3.5329 -3.2711 -3.2711 -3.2567 -3.2472 4.3952 4.3952 8.3761 8.3761 9.6341 9.6341 9.7307 9.7355 k = 0.1350 0.1909 0.3307 ( 3316 PWs) bands (ev): -24.1689 -24.1689 -23.1970 -23.1970 -23.1390 -23.1390 -23.1295 -23.1295 -8.5627 -8.5627 -6.2303 -6.2303 -6.1952 -6.1935 -5.6215 -5.6215 -4.0769 -4.0769 -3.9730 -3.9700 -3.9700 -3.9594 -3.6151 -3.6151 -3.5807 -3.5773 -3.5243 -3.5243 -3.2653 -3.2653 -3.2507 -3.2416 4.4565 4.4565 8.3297 8.3297 9.5890 9.5890 9.6833 9.6881 k = 0.1400 0.1980 0.3429 ( 3310 PWs) bands (ev): -24.1639 -24.1639 -23.2000 -23.2000 -23.1406 -23.1406 -23.1310 -23.1310 -8.5704 -8.5704 -6.2235 -6.2235 -6.1884 -6.1867 -5.6038 -5.6038 -4.0956 -4.0956 -3.9778 -3.9749 -3.9749 -3.9647 -3.6221 -3.6221 -3.5876 -3.5842 -3.5155 -3.5155 -3.2602 -3.2602 -3.2454 -3.2367 4.5169 4.5169 8.2862 8.2862 9.5430 9.5430 9.6353 9.6400 k = 0.1450 0.2051 0.3552 ( 3322 PWs) bands (ev): -24.1592 -24.1592 -23.2026 -23.2026 -23.1422 -23.1422 -23.1326 -23.1326 -8.5775 -8.5775 -6.2164 -6.2164 -6.1812 -6.1796 -5.5898 -5.5898 -4.1112 -4.1112 -3.9819 -3.9791 -3.9791 -3.9693 -3.6293 -3.6293 -3.5948 -3.5915 -3.5064 -3.5064 -3.2558 -3.2558 -3.2408 -3.2325 4.5760 4.5760 8.2460 8.2460 9.4963 9.4963 9.5867 9.5912 k = 0.1500 0.2121 0.3674 ( 3322 PWs) bands (ev): -24.1546 -24.1546 -23.2049 -23.2049 -23.1438 -23.1438 -23.1342 -23.1342 -8.5840 -8.5840 -6.2089 -6.2089 -6.1738 -6.1722 -5.5796 -5.5796 -4.1234 -4.1234 -3.9854 -3.9828 -3.9828 -3.9734 -3.6369 -3.6369 -3.6022 -3.5991 -3.4972 -3.4972 -3.2521 -3.2521 -3.2369 -3.2290 4.6333 4.6333 8.2098 8.2098 9.4491 9.4491 9.5376 9.5420 k = 0.1550 0.2192 0.3797 ( 3316 PWs) bands (ev): -24.1503 -24.1503 -23.2069 -23.2069 -23.1454 -23.1454 -23.1358 -23.1358 -8.5900 -8.5900 -6.2011 -6.2011 -6.1660 -6.1645 -5.5734 -5.5734 -4.1320 -4.1320 -3.9883 -3.9859 -3.9859 -3.9769 -3.6447 -3.6447 -3.6100 -3.6069 -3.4878 -3.4878 -3.2491 -3.2491 -3.2337 -3.2262 4.6887 4.6887 8.1778 8.1778 9.4016 9.4016 9.4883 9.4926 k = 0.1600 0.2263 0.3919 ( 3334 PWs) bands (ev): -24.1462 -24.1462 -23.2086 -23.2086 -23.1471 -23.1471 -23.1375 -23.1375 -8.5953 -8.5953 -6.1930 -6.1930 -6.1579 -6.1564 -5.5714 -5.5714 -4.1369 -4.1369 -3.9907 -3.9884 -3.9884 -3.9798 -3.6528 -3.6528 -3.6181 -3.6151 -3.4782 -3.4782 -3.2469 -3.2469 -3.2312 -3.2242 4.7417 4.7417 8.1505 8.1505 9.3539 9.3539 9.4389 9.4430 k = 0.1650 0.2333 0.4042 ( 3334 PWs) bands (ev): -24.1424 -24.1424 -23.2098 -23.2098 -23.1488 -23.1488 -23.1392 -23.1392 -8.6002 -8.6002 -6.1846 -6.1846 -6.1494 -6.1480 -5.5735 -5.5735 -4.1380 -4.1380 -3.9925 -3.9903 -3.9903 -3.9822 -3.6612 -3.6612 -3.6265 -3.6235 -3.4685 -3.4685 -3.2453 -3.2453 -3.2293 -3.2228 4.7921 4.7921 8.1284 8.1284 9.3061 9.3061 9.3896 9.3935 k = 0.1700 0.2404 0.4164 ( 3334 PWs) bands (ev): -24.1389 -24.1389 -23.2107 -23.2107 -23.1506 -23.1506 -23.1410 -23.1410 -8.6044 -8.6044 -6.1758 -6.1758 -6.1406 -6.1393 -5.5796 -5.5796 -4.1356 -4.1356 -3.9938 -3.9917 -3.9917 -3.9840 -3.6699 -3.6699 -3.6352 -3.6323 -3.4586 -3.4586 -3.2444 -3.2444 -3.2282 -3.2222 4.8395 4.8395 8.1116 8.1116 9.2584 9.2584 9.3404 9.3441 k = 0.1750 0.2475 0.4287 ( 3328 PWs) bands (ev): -24.1356 -24.1356 -23.2111 -23.2111 -23.1523 -23.1523 -23.1427 -23.1427 -8.6081 -8.6081 -6.1668 -6.1668 -6.1315 -6.1303 -5.5896 -5.5896 -4.1296 -4.1296 -3.9945 -3.9925 -3.9925 -3.9853 -3.6789 -3.6789 -3.6442 -3.6413 -3.4487 -3.4487 -3.2442 -3.2442 -3.2277 -3.2222 4.8837 4.8837 8.1006 8.1006 9.2109 9.2109 9.2915 9.2950 k = 0.1800 0.2546 0.4409 ( 3331 PWs) bands (ev): -24.1327 -24.1327 -23.2112 -23.2112 -23.1541 -23.1541 -23.1445 -23.1445 -8.6113 -8.6113 -6.1574 -6.1574 -6.1221 -6.1209 -5.6032 -5.6032 -4.1205 -4.1205 -3.9947 -3.9929 -3.9929 -3.9861 -3.6882 -3.6882 -3.6535 -3.6506 -3.4386 -3.4386 -3.2446 -3.2446 -3.2279 -3.2229 4.9244 4.9244 8.0955 8.0955 9.1637 9.1637 9.2430 9.2463 k = 0.1850 0.2616 0.4532 ( 3334 PWs) bands (ev): -24.1300 -24.1300 -23.2108 -23.2108 -23.1558 -23.1558 -23.1463 -23.1463 -8.6140 -8.6140 -6.1476 -6.1476 -6.1123 -6.1113 -5.6201 -5.6201 -4.1084 -4.1084 -3.9945 -3.9927 -3.9927 -3.9864 -3.6978 -3.6978 -3.6632 -3.6603 -3.4284 -3.4284 -3.2457 -3.2457 -3.2287 -3.2242 4.9616 4.9616 8.0965 8.0965 9.1171 9.1171 9.1950 9.1981 k = 0.1900 0.2687 0.4654 ( 3322 PWs) bands (ev): -24.1276 -24.1276 -23.2101 -23.2101 -23.1576 -23.1576 -23.1481 -23.1481 -8.6162 -8.6162 -6.1376 -6.1376 -6.1022 -6.1013 -5.6399 -5.6399 -4.0937 -4.0937 -3.9937 -3.9920 -3.9920 -3.9862 -3.7077 -3.7077 -3.6731 -3.6702 -3.4182 -3.4182 -3.2473 -3.2473 -3.2301 -3.2261 4.9950 4.9950 8.1038 8.1038 9.0710 9.0710 9.1477 9.1506 k = 0.1950 0.2758 0.4777 ( 3322 PWs) bands (ev): -24.1255 -24.1255 -23.2091 -23.2091 -23.1594 -23.1594 -23.1500 -23.1500 -8.6180 -8.6180 -6.1273 -6.1273 -6.0918 -6.0909 -5.6623 -5.6623 -4.0769 -4.0769 -3.9926 -3.9908 -3.9908 -3.9856 -3.7178 -3.7178 -3.6834 -3.6805 -3.4079 -3.4079 -3.2495 -3.2495 -3.2322 -3.2286 5.0246 5.0246 8.1172 8.1172 9.0256 9.0256 9.1012 9.1038 k = 0.2000 0.2828 0.4899 ( 3304 PWs) bands (ev): -24.1237 -24.1237 -23.2076 -23.2076 -23.1612 -23.1612 -23.1519 -23.1519 -8.6194 -8.6194 -6.1166 -6.1166 -6.0811 -6.0803 -5.6867 -5.6867 -4.0582 -4.0582 -3.9910 -3.9892 -3.9892 -3.9846 -3.7283 -3.7283 -3.6939 -3.6910 -3.3975 -3.3975 -3.2521 -3.2521 -3.2347 -3.2316 5.0505 5.0505 8.1369 8.1369 8.9810 8.9810 9.0555 9.0578 k = 0.2050 0.2899 0.5021 ( 3322 PWs) bands (ev): -24.1222 -24.1222 -23.2058 -23.2058 -23.1629 -23.1629 -23.1537 -23.1537 -8.6205 -8.6205 -6.1057 -6.1057 -6.0700 -6.0693 -5.7129 -5.7129 -4.0382 -4.0382 -3.9891 -3.9871 -3.9871 -3.9832 -3.7390 -3.7390 -3.7047 -3.7019 -3.3872 -3.3872 -3.2553 -3.2553 -3.2378 -3.2351 5.0727 5.0727 8.1626 8.1626 8.9373 8.9373 9.0106 9.0128 k = 0.2100 0.2970 0.5144 ( 3328 PWs) bands (ev): -24.1209 -24.1209 -23.2038 -23.2038 -23.1647 -23.1647 -23.1556 -23.1556 -8.6212 -8.6212 -6.0945 -6.0945 -6.0587 -6.0581 -5.7405 -5.7405 -4.0174 -4.0174 -3.9869 -3.9843 -3.9843 -3.9815 -3.7499 -3.7499 -3.7158 -3.7131 -3.3768 -3.3768 -3.2589 -3.2589 -3.2413 -3.2391 5.0913 5.0913 8.1940 8.1940 8.8946 8.8946 8.9668 8.9687 k = 0.2150 0.3041 0.5266 ( 3328 PWs) bands (ev): -24.1199 -24.1199 -23.2015 -23.2015 -23.1664 -23.1664 -23.1575 -23.1575 -8.6216 -8.6216 -6.0831 -6.0831 -6.0471 -6.0466 -5.7690 -5.7690 -3.9972 -3.9972 -3.9844 -3.9799 -3.9799 -3.9796 -3.7610 -3.7610 -3.7272 -3.7246 -3.3665 -3.3665 -3.2628 -3.2628 -3.2452 -3.2434 5.1067 5.1067 8.2310 8.2310 8.8530 8.8530 8.9241 8.9257 k = 0.2200 0.3111 0.5389 ( 3346 PWs) bands (ev): -24.1191 -24.1191 -23.1989 -23.1989 -23.1681 -23.1681 -23.1595 -23.1595 -8.6218 -8.6218 -6.0714 -6.0714 -6.0352 -6.0347 -5.7982 -5.7982 -3.9845 -3.9845 -3.9818 -3.9776 -3.9673 -3.9673 -3.7722 -3.7722 -3.7388 -3.7363 -3.3563 -3.3563 -3.2670 -3.2670 -3.2495 -3.2481 5.1190 5.1190 8.2731 8.2731 8.8127 8.8127 8.8824 8.8838 k = 0.2250 0.3182 0.5511 ( 3352 PWs) bands (ev): -24.1184 -24.1184 -23.1963 -23.1963 -23.1696 -23.1696 -23.1614 -23.1614 -8.6219 -8.6219 -6.0596 -6.0596 -6.0230 -6.0226 -5.8276 -5.8276 -3.9797 -3.9797 -3.9791 -3.9755 -3.9467 -3.9467 -3.7834 -3.7834 -3.7505 -3.7482 -3.3462 -3.3462 -3.2713 -3.2713 -3.2542 -3.2531 5.1285 5.1285 8.3198 8.3198 8.7737 8.7737 8.8420 8.8431 k = 0.2300 0.3253 0.5634 ( 3358 PWs) bands (ev): -24.1180 -24.1180 -23.1936 -23.1936 -23.1710 -23.1710 -23.1633 -23.1633 -8.6218 -8.6218 -6.0476 -6.0476 -6.0105 -6.0103 -5.8570 -5.8570 -3.9764 -3.9764 -3.9764 -3.9734 -3.9250 -3.9250 -3.7942 -3.7942 -3.7623 -3.7602 -3.3365 -3.3365 -3.2756 -3.2756 -3.2591 -3.2583 5.1355 5.1355 8.3705 8.3705 8.7364 8.7364 8.8027 8.8036 k = 0.2350 0.3323 0.5756 ( 3364 PWs) bands (ev): -24.1177 -24.1177 -23.1910 -23.1910 -23.1721 -23.1721 -23.1652 -23.1652 -8.6216 -8.6216 -6.0357 -6.0357 -5.9978 -5.9976 -5.8858 -5.8858 -3.9738 -3.9735 -3.9735 -3.9715 -3.9039 -3.9039 -3.8041 -3.8041 -3.7741 -3.7724 -3.3272 -3.3272 -3.2795 -3.2795 -3.2641 -3.2636 5.1404 5.1404 8.4242 8.4242 8.7013 8.7013 8.7647 8.7654 k = 0.2400 0.3394 0.5879 ( 3358 PWs) bands (ev): -24.1175 -24.1175 -23.1888 -23.1888 -23.1726 -23.1726 -23.1671 -23.1671 -8.6214 -8.6214 -6.0242 -6.0242 -5.9848 -5.9847 -5.9135 -5.9135 -3.9715 -3.9712 -3.9712 -3.9699 -3.8852 -3.8852 -3.8119 -3.8119 -3.7858 -3.7845 -3.3191 -3.3191 -3.2824 -3.2824 -3.2693 -3.2690 5.1434 5.1434 8.4790 8.4790 8.6699 8.6699 8.7280 8.7285 k = 0.2450 0.3465 0.6001 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1873 -23.1873 -23.1723 -23.1723 -23.1690 -23.1690 -8.6212 -8.6212 -6.0141 -6.0141 -5.9716 -5.9716 -5.9389 -5.9389 -3.9698 -3.9695 -3.9695 -3.9689 -3.8718 -3.8718 -3.8145 -3.8145 -3.7972 -3.7965 -3.3134 -3.3134 -3.2830 -3.2830 -3.2745 -3.2744 5.1451 5.1451 8.5283 8.5283 8.6485 8.6485 8.6926 8.6928 k = 0.2500 0.3536 0.6124 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1868 -23.1868 -23.1709 -23.1709 -23.1709 -23.1709 -8.6211 -8.6211 -6.0090 -6.0090 -5.9582 -5.9582 -5.9582 -5.9582 -3.9688 -3.9688 -3.9688 -3.9688 -3.8673 -3.8673 -3.8080 -3.8080 -3.8080 -3.8080 -3.3115 -3.3115 -3.2797 -3.2797 -3.2797 -3.2797 5.1455 5.1455 8.5500 8.5500 8.6585 8.6585 8.6585 8.6585 k = 0.2500 0.3536 0.6124 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1868 -23.1868 -23.1709 -23.1709 -23.1709 -23.1709 -8.6211 -8.6211 -6.0090 -6.0090 -5.9582 -5.9582 -5.9582 -5.9582 -3.9688 -3.9688 -3.9688 -3.9688 -3.8673 -3.8673 -3.8080 -3.8080 -3.8080 -3.8080 -3.3115 -3.3115 -3.2797 -3.2797 -3.2797 -3.2797 5.1455 5.1455 8.5500 8.5500 8.6585 8.6585 8.6585 8.6585 k = 0.2550 0.3394 0.6124 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1872 -23.1872 -23.1728 -23.1728 -23.1686 -23.1686 -8.6212 -8.6212 -6.0167 -6.0167 -5.9633 -5.9633 -5.9446 -5.9445 -3.9699 -3.9697 -3.9697 -3.9690 -3.8700 -3.8700 -3.8190 -3.8182 -3.7942 -3.7942 -3.3128 -3.3128 -3.2849 -3.2848 -3.2731 -3.2731 5.1452 5.1452 8.5364 8.5364 8.6255 8.6257 8.7072 8.7072 k = 0.2600 0.3253 0.6124 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1882 -23.1882 -23.1747 -23.1747 -23.1657 -23.1657 -8.6215 -8.6215 -6.0351 -6.0351 -5.9562 -5.9562 -5.9308 -5.9307 -3.9725 -3.9725 -3.9725 -3.9705 -3.8752 -3.8752 -3.8291 -3.8273 -3.7773 -3.7773 -3.3158 -3.3158 -3.2897 -3.2897 -3.2647 -3.2647 5.1443 5.1443 8.5115 8.5115 8.5939 8.5943 8.7703 8.7703 k = 0.2650 0.3111 0.6124 ( 3361 PWs) bands (ev): -24.1174 -24.1174 -23.1894 -23.1894 -23.1765 -23.1765 -23.1626 -23.1626 -8.6221 -8.6221 -6.0562 -6.0562 -5.9448 -5.9448 -5.9168 -5.9166 -3.9778 -3.9778 -3.9770 -3.9739 -3.8801 -3.8801 -3.8380 -3.8351 -3.7599 -3.7599 -3.3193 -3.3193 -3.2943 -3.2943 -3.2556 -3.2556 5.1431 5.1431 8.4844 8.4844 8.5636 8.5642 8.8380 8.8380 k = 0.2700 0.2970 0.6124 ( 3346 PWs) bands (ev): -24.1174 -24.1174 -23.1909 -23.1909 -23.1784 -23.1784 -23.1593 -23.1593 -8.6230 -8.6230 -6.0770 -6.0770 -5.9318 -5.9318 -5.9026 -5.9024 -3.9857 -3.9857 -3.9834 -3.9794 -3.8839 -3.8839 -3.8455 -3.8414 -3.7428 -3.7428 -3.3228 -3.3228 -3.2985 -3.2983 -3.2461 -3.2461 5.1420 5.1420 8.4573 8.4573 8.5346 8.5355 8.9077 8.9077 k = 0.2750 0.2828 0.6124 ( 3343 PWs) bands (ev): -24.1173 -24.1173 -23.1924 -23.1924 -23.1802 -23.1802 -23.1560 -23.1560 -8.6243 -8.6243 -6.0966 -6.0966 -5.9182 -5.9182 -5.8882 -5.8880 -3.9962 -3.9962 -3.9921 -3.9872 -3.8862 -3.8862 -3.8514 -3.8464 -3.7264 -3.7264 -3.3260 -3.3260 -3.3022 -3.3019 -3.2365 -3.2365 5.1410 5.1410 8.4308 8.4308 8.5070 8.5080 8.9782 8.9782 k = 0.2800 0.2687 0.6124 ( 3343 PWs) bands (ev): -24.1171 -24.1171 -23.1940 -23.1940 -23.1820 -23.1820 -23.1528 -23.1528 -8.6260 -8.6260 -6.1146 -6.1146 -5.9040 -5.9040 -5.8737 -5.8735 -4.0089 -4.0089 -4.0028 -3.9972 -3.8873 -3.8873 -3.8560 -3.8500 -3.7112 -3.7112 -3.3288 -3.3288 -3.3054 -3.3048 -3.2268 -3.2268 5.1406 5.1406 8.4052 8.4052 8.4807 8.4819 9.0486 9.0486 k = 0.2850 0.2546 0.6124 ( 3337 PWs) bands (ev): -24.1168 -24.1168 -23.1957 -23.1957 -23.1838 -23.1838 -23.1497 -23.1497 -8.6281 -8.6281 -6.1308 -6.1308 -5.8896 -5.8896 -5.8590 -5.8588 -4.0233 -4.0233 -4.0153 -4.0093 -3.8878 -3.8878 -3.8593 -3.8526 -3.6971 -3.6971 -3.3309 -3.3309 -3.3079 -3.3070 -3.2172 -3.2172 5.1407 5.1407 8.3807 8.3807 8.4557 8.4571 9.1184 9.1184 k = 0.2900 0.2404 0.6124 ( 3343 PWs) bands (ev): -24.1164 -24.1164 -23.1973 -23.1973 -23.1855 -23.1855 -23.1468 -23.1468 -8.6308 -8.6308 -6.1449 -6.1449 -5.8750 -5.8750 -5.8442 -5.8440 -4.0390 -4.0390 -4.0295 -4.0232 -3.8878 -3.8878 -3.8618 -3.8545 -3.6844 -3.6844 -3.3324 -3.3324 -3.3096 -3.3084 -3.2076 -3.2076 5.1418 5.1418 8.3572 8.3572 8.4320 8.4335 9.1868 9.1868 k = 0.2950 0.2263 0.6124 ( 3337 PWs) bands (ev): -24.1158 -24.1158 -23.1990 -23.1990 -23.1873 -23.1873 -23.1441 -23.1441 -8.6340 -8.6340 -6.1569 -6.1569 -5.8601 -5.8601 -5.8293 -5.8290 -4.0559 -4.0559 -4.0450 -4.0386 -3.8879 -3.8879 -3.8637 -3.8560 -3.6730 -3.6730 -3.3330 -3.3330 -3.3105 -3.3090 -3.1981 -3.1981 5.1438 5.1438 8.3349 8.3349 8.4095 8.4112 9.2532 9.2532 k = 0.3000 0.2121 0.6124 ( 3343 PWs) bands (ev): -24.1150 -24.1150 -23.2006 -23.2006 -23.1890 -23.1890 -23.1416 -23.1416 -8.6378 -8.6378 -6.1666 -6.1666 -5.8452 -5.8452 -5.8143 -5.8140 -4.0736 -4.0736 -4.0616 -4.0552 -3.8882 -3.8882 -3.8656 -3.8574 -3.6631 -3.6631 -3.3327 -3.3327 -3.3106 -3.3086 -3.1888 -3.1888 5.1469 5.1469 8.3136 8.3136 8.3883 8.3901 9.3168 9.3168 k = 0.3050 0.1980 0.6124 ( 3337 PWs) bands (ev): -24.1140 -24.1140 -23.2022 -23.2022 -23.1907 -23.1907 -23.1394 -23.1394 -8.6422 -8.6422 -6.1741 -6.1741 -5.8301 -5.8301 -5.7991 -5.7989 -4.0920 -4.0920 -4.0791 -4.0728 -3.8890 -3.8890 -3.8674 -3.8590 -3.6547 -3.6547 -3.3315 -3.3315 -3.3096 -3.3072 -3.1796 -3.1796 5.1513 5.1513 8.2934 8.2934 8.3682 8.3702 9.3770 9.3770 k = 0.3100 0.1838 0.6124 ( 3340 PWs) bands (ev): -24.1129 -24.1129 -23.2038 -23.2038 -23.1923 -23.1923 -23.1375 -23.1375 -8.6472 -8.6472 -6.1792 -6.1792 -5.8149 -5.8149 -5.7839 -5.7838 -4.1109 -4.1109 -4.0973 -4.0912 -3.8903 -3.8903 -3.8696 -3.8608 -3.6479 -3.6479 -3.3292 -3.3292 -3.3076 -3.3048 -3.1704 -3.1704 5.1571 5.1571 8.2743 8.2743 8.3494 8.3515 9.4329 9.4329 k = 0.3150 0.1697 0.6124 ( 3334 PWs) bands (ev): -24.1115 -24.1115 -23.2054 -23.2054 -23.1939 -23.1939 -23.1360 -23.1360 -8.6528 -8.6528 -6.1819 -6.1819 -5.7997 -5.7997 -5.7687 -5.7686 -4.1302 -4.1302 -4.1161 -4.1102 -3.8922 -3.8922 -3.8722 -3.8632 -3.6426 -3.6426 -3.3259 -3.3259 -3.3046 -3.3013 -3.1615 -3.1615 5.1644 5.1644 8.2562 8.2562 8.3316 8.3339 9.4838 9.4838 k = 0.3200 0.1556 0.6124 ( 3334 PWs) bands (ev): -24.1099 -24.1099 -23.2069 -23.2069 -23.1955 -23.1955 -23.1347 -23.1347 -8.6589 -8.6589 -6.1822 -6.1822 -5.7844 -5.7844 -5.7534 -5.7534 -4.1499 -4.1499 -4.1354 -4.1298 -3.8950 -3.8950 -3.8754 -3.8661 -3.6390 -3.6390 -3.3216 -3.3216 -3.3006 -3.2968 -3.1527 -3.1527 5.1732 5.1732 8.2391 8.2391 8.3150 8.3173 9.5287 9.5287 k = 0.3250 0.1414 0.6124 ( 3328 PWs) bands (ev): -24.1080 -24.1080 -23.2084 -23.2084 -23.1970 -23.1970 -23.1338 -23.1338 -8.6657 -8.6657 -6.1800 -6.1800 -5.7691 -5.7691 -5.7381 -5.7381 -4.1698 -4.1698 -4.1550 -4.1496 -3.8985 -3.8985 -3.8792 -3.8698 -3.6370 -3.6370 -3.3162 -3.3162 -3.2954 -3.2912 -3.1440 -3.1440 5.1836 5.1836 8.2230 8.2230 8.2995 8.3019 9.5670 9.5670 k = 0.3300 0.1273 0.6124 ( 3322 PWs) bands (ev): -24.1059 -24.1059 -23.2099 -23.2099 -23.1985 -23.1985 -23.1333 -23.1333 -8.6730 -8.6730 -6.1755 -6.1755 -5.7538 -5.7538 -5.7228 -5.7228 -4.1899 -4.1899 -4.1748 -4.1698 -3.9029 -3.9029 -3.8837 -3.8741 -3.6366 -3.6366 -3.3098 -3.3098 -3.2893 -3.2846 -3.1356 -3.1356 5.1958 5.1958 8.2079 8.2079 8.2849 8.2875 9.5977 9.5977 k = 0.3350 0.1131 0.6124 ( 3325 PWs) bands (ev): -24.1036 -24.1036 -23.2114 -23.2114 -23.2000 -23.2000 -23.1331 -23.1331 -8.6809 -8.6809 -6.1686 -6.1686 -5.7385 -5.7385 -5.7076 -5.7075 -4.2100 -4.2100 -4.1949 -4.1902 -3.9080 -3.9080 -3.8888 -3.8792 -3.6378 -3.6378 -3.3024 -3.3024 -3.2821 -3.2771 -3.1273 -3.1273 5.2097 5.2097 8.1936 8.1936 8.2714 8.2740 9.6203 9.6203 k = 0.3400 0.0990 0.6124 ( 3316 PWs) bands (ev): -24.1010 -24.1010 -23.2128 -23.2128 -23.2014 -23.2014 -23.1333 -23.1333 -8.6893 -8.6893 -6.1593 -6.1593 -5.7232 -5.7232 -5.6924 -5.6922 -4.2302 -4.2302 -4.2150 -4.2107 -3.9140 -3.9140 -3.8947 -3.8850 -3.6407 -3.6407 -3.2941 -3.2941 -3.2740 -3.2687 -3.1192 -3.1192 5.2254 5.2254 8.1803 8.1803 8.2588 8.2615 9.6342 9.6342 k = 0.3450 0.0849 0.6124 ( 3316 PWs) bands (ev): -24.0982 -24.0982 -23.2142 -23.2142 -23.2028 -23.2028 -23.1339 -23.1339 -8.6981 -8.6981 -6.1478 -6.1478 -5.7080 -5.7080 -5.6773 -5.6770 -4.2503 -4.2503 -4.2352 -4.2312 -3.9207 -3.9207 -3.9013 -3.8916 -3.6452 -3.6452 -3.2849 -3.2849 -3.2650 -3.2594 -3.1113 -3.1113 5.2429 5.2429 8.1678 8.1678 8.2472 8.2499 9.6391 9.6391 k = 0.3500 0.0707 0.6124 ( 3328 PWs) bands (ev): -24.0951 -24.0951 -23.2155 -23.2155 -23.2041 -23.2041 -23.1348 -23.1348 -8.7074 -8.7074 -6.1340 -6.1340 -5.6929 -5.6929 -5.6623 -5.6619 -4.2704 -4.2704 -4.2553 -4.2516 -3.9282 -3.9282 -3.9085 -3.8988 -3.6514 -3.6514 -3.2750 -3.2750 -3.2552 -3.2494 -3.1036 -3.1036 5.2623 5.2623 8.1561 8.1561 8.2364 8.2392 9.6350 9.6350 k = 0.3550 0.0566 0.6124 ( 3328 PWs) bands (ev): -24.0918 -24.0918 -23.2168 -23.2168 -23.2055 -23.2055 -23.1362 -23.1362 -8.7170 -8.7170 -6.1181 -6.1181 -5.6778 -5.6778 -5.6473 -5.6468 -4.2902 -4.2902 -4.2752 -4.2720 -3.9364 -3.9364 -3.9163 -3.9067 -3.6591 -3.6591 -3.2644 -3.2644 -3.2447 -3.2387 -3.0961 -3.0961 5.2835 5.2835 8.1452 8.1452 8.2265 8.2294 9.6218 9.6218 k = 0.3600 0.0424 0.6124 ( 3322 PWs) bands (ev): -24.0882 -24.0882 -23.2181 -23.2181 -23.2067 -23.2067 -23.1378 -23.1378 -8.7270 -8.7270 -6.1002 -6.1002 -5.6629 -5.6629 -5.6325 -5.6319 -4.3098 -4.3098 -4.2950 -4.2921 -3.9451 -3.9451 -3.9247 -3.9152 -3.6684 -3.6684 -3.2532 -3.2532 -3.2336 -3.2273 -3.0887 -3.0887 5.3065 5.3065 8.1350 8.1350 8.2174 8.2203 9.6001 9.6001 k = 0.3650 0.0283 0.6124 ( 3322 PWs) bands (ev): -24.0845 -24.0845 -23.2193 -23.2193 -23.2079 -23.2079 -23.1399 -23.1399 -8.7372 -8.7372 -6.0802 -6.0802 -5.6482 -5.6482 -5.6178 -5.6171 -4.3292 -4.3292 -4.3146 -4.3120 -3.9545 -3.9545 -3.9336 -3.9243 -3.6792 -3.6792 -3.2415 -3.2415 -3.2219 -3.2155 -3.0816 -3.0816 5.3315 5.3315 8.1255 8.1255 8.2091 8.2120 9.5703 9.5703 k = 0.3700 0.0141 0.6124 ( 3333 PWs) bands (ev): -24.0805 -24.0805 -23.2205 -23.2205 -23.2091 -23.2091 -23.1422 -23.1422 -8.7476 -8.7476 -6.0584 -6.0584 -5.6336 -5.6336 -5.6034 -5.6025 -4.3481 -4.3481 -4.3338 -4.3316 -3.9643 -3.9643 -3.9430 -3.9338 -3.6915 -3.6915 -3.2293 -3.2293 -3.2097 -3.2033 -3.0748 -3.0748 5.3582 5.3582 8.1167 8.1167 8.2015 8.2044 9.5331 9.5331 k = 0.3750-0.0000 0.6124 ( 3333 PWs) bands (ev): -24.0763 -24.0763 -23.2217 -23.2217 -23.2103 -23.2103 -23.1449 -23.1449 -8.7581 -8.7581 -6.0349 -6.0349 -5.6193 -5.6193 -5.5891 -5.5881 -4.3667 -4.3667 -4.3526 -4.3508 -3.9747 -3.9747 -3.9527 -3.9438 -3.7052 -3.7052 -3.2169 -3.2169 -3.1972 -3.1907 -3.0681 -3.0681 5.3867 5.3867 8.1086 8.1086 8.1946 8.1976 9.4892 9.4892 k = 0.3800-0.0141 0.6124 ( 3333 PWs) bands (ev): -24.0719 -24.0719 -23.2228 -23.2228 -23.2114 -23.2114 -23.1480 -23.1480 -8.7688 -8.7688 -6.0097 -6.0097 -5.6051 -5.6051 -5.5750 -5.5739 -4.3848 -4.3848 -4.3711 -4.3696 -3.9853 -3.9853 -3.9628 -3.9542 -3.7204 -3.7204 -3.2042 -3.2042 -3.1844 -3.1779 -3.0616 -3.0616 5.4170 5.4170 8.1010 8.1010 8.1884 8.1913 9.4394 9.4394 k = 0.3850-0.0283 0.6124 ( 3327 PWs) bands (ev): -24.0673 -24.0673 -23.2239 -23.2239 -23.2124 -23.2124 -23.1513 -23.1513 -8.7794 -8.7794 -5.9830 -5.9830 -5.5913 -5.5913 -5.5612 -5.5600 -4.4024 -4.4024 -4.3890 -4.3879 -3.9964 -3.9964 -3.9732 -3.9648 -3.7368 -3.7368 -3.1913 -3.1913 -3.1714 -3.1650 -3.0554 -3.0554 5.4490 5.4490 8.0940 8.0940 8.1828 8.1857 9.3844 9.3844 k = 0.3900-0.0424 0.6124 ( 3327 PWs) bands (ev): -24.0626 -24.0626 -23.2249 -23.2249 -23.2134 -23.2134 -23.1548 -23.1548 -8.7900 -8.7900 -5.9550 -5.9550 -5.5777 -5.5777 -5.5476 -5.5463 -4.4194 -4.4194 -4.4064 -4.4056 -4.0076 -4.0076 -3.9838 -3.9757 -3.7545 -3.7545 -3.1784 -3.1784 -3.1584 -3.1520 -3.0494 -3.0494 5.4826 5.4826 8.0876 8.0876 8.1778 8.1807 9.3248 9.3248 k = 0.3950-0.0566 0.6124 ( 3327 PWs) bands (ev): -24.0578 -24.0578 -23.2259 -23.2259 -23.2143 -23.2143 -23.1586 -23.1586 -8.8006 -8.8006 -5.9258 -5.9258 -5.5644 -5.5644 -5.5344 -5.5330 -4.4357 -4.4357 -4.4232 -4.4227 -4.0191 -4.0191 -3.9946 -3.9868 -3.7734 -3.7734 -3.1655 -3.1655 -3.1453 -3.1390 -3.0436 -3.0436 5.5178 5.5178 8.0816 8.0816 8.1734 8.1762 9.2615 9.2615 k = 0.4000-0.0707 0.6124 ( 3342 PWs) bands (ev): -24.0528 -24.0528 -23.2269 -23.2269 -23.2153 -23.2153 -23.1626 -23.1626 -8.8110 -8.8110 -5.8955 -5.8955 -5.5515 -5.5515 -5.5215 -5.5200 -4.4514 -4.4514 -4.4394 -4.4392 -4.0307 -4.0307 -4.0054 -3.9980 -3.7934 -3.7934 -3.1527 -3.1527 -3.1322 -3.1261 -3.0381 -3.0381 5.5545 5.5545 8.0761 8.0761 8.1694 8.1723 9.1951 9.1951 k = 0.4050-0.0849 0.6124 ( 3342 PWs) bands (ev): -24.0478 -24.0478 -23.2278 -23.2278 -23.2161 -23.2161 -23.1668 -23.1668 -8.8212 -8.8212 -5.8643 -5.8643 -5.5389 -5.5389 -5.5090 -5.5074 -4.4664 -4.4664 -4.4550 -4.4550 -4.0424 -4.0424 -4.0164 -4.0093 -3.8144 -3.8144 -3.1400 -3.1400 -3.1193 -3.1134 -3.0327 -3.0327 5.5926 5.5926 8.0711 8.0711 8.1660 8.1688 9.1263 9.1263 k = 0.4100-0.0990 0.6124 ( 3348 PWs) bands (ev): -24.0427 -24.0427 -23.2287 -23.2287 -23.2169 -23.2169 -23.1711 -23.1711 -8.8312 -8.8312 -5.8324 -5.8324 -5.5268 -5.5268 -5.4969 -5.4952 -4.4807 -4.4807 -4.4701 -4.4698 -4.0542 -4.0542 -4.0273 -4.0206 -3.8363 -3.8363 -3.1276 -3.1276 -3.1067 -3.1009 -3.0276 -3.0276 5.6319 5.6319 8.0664 8.0664 8.1630 8.1657 9.0555 9.0555 k = 0.4150-0.1131 0.6124 ( 3348 PWs) bands (ev): -24.0376 -24.0376 -23.2295 -23.2295 -23.2177 -23.2177 -23.1755 -23.1755 -8.8408 -8.8408 -5.7999 -5.7999 -5.5151 -5.5151 -5.4853 -5.4835 -4.4941 -4.4941 -4.4844 -4.4838 -4.0658 -4.0658 -4.0381 -4.0317 -3.8589 -3.8589 -3.1156 -3.1156 -3.0943 -3.0887 -3.0228 -3.0228 5.6724 5.6724 8.0621 8.0621 8.1604 8.1631 8.9835 8.9835 k = 0.4200-0.1273 0.6124 ( 3348 PWs) bands (ev): -24.0325 -24.0325 -23.2303 -23.2303 -23.2184 -23.2184 -23.1799 -23.1799 -8.8501 -8.8501 -5.7671 -5.7671 -5.5038 -5.5038 -5.4741 -5.4723 -4.5068 -4.5068 -4.4979 -4.4971 -4.0774 -4.0774 -4.0487 -4.0428 -3.8821 -3.8821 -3.1039 -3.1039 -3.0822 -3.0768 -3.0181 -3.0181 5.7138 5.7138 8.0581 8.0581 8.1582 8.1608 8.9107 8.9107 k = 0.4250-0.1414 0.6124 ( 3348 PWs) bands (ev): -24.0275 -24.0275 -23.2311 -23.2311 -23.2191 -23.2191 -23.1844 -23.1844 -8.8591 -8.8591 -5.7341 -5.7341 -5.4931 -5.4931 -5.4634 -5.4615 -4.5186 -4.5186 -4.5106 -4.5096 -4.0888 -4.0888 -4.0592 -4.0536 -3.9057 -3.9057 -3.0927 -3.0927 -3.0706 -3.0654 -3.0137 -3.0137 5.7559 5.7559 8.0543 8.0543 8.1564 8.1588 8.8378 8.8378 k = 0.4300-0.1556 0.6124 ( 3348 PWs) bands (ev): -24.0225 -24.0225 -23.2318 -23.2318 -23.2198 -23.2198 -23.1888 -23.1888 -8.8676 -8.8676 -5.7013 -5.7013 -5.4828 -5.4828 -5.4532 -5.4513 -4.5296 -4.5296 -4.5224 -4.5213 -4.1000 -4.1000 -4.0694 -4.0642 -3.9297 -3.9297 -3.0820 -3.0820 -3.0594 -3.0545 -3.0095 -3.0095 5.7986 5.7986 8.0508 8.0508 8.1548 8.1572 8.7652 8.7652 k = 0.4350-0.1697 0.6124 ( 3345 PWs) bands (ev): -24.0177 -24.0177 -23.2326 -23.2326 -23.2204 -23.2204 -23.1932 -23.1932 -8.8757 -8.8757 -5.6687 -5.6687 -5.4731 -5.4731 -5.4436 -5.4417 -4.5397 -4.5397 -4.5333 -4.5321 -4.1109 -4.1109 -4.0793 -4.0745 -3.9537 -3.9537 -3.0718 -3.0718 -3.0487 -3.0441 -3.0055 -3.0055 5.8416 5.8416 8.0474 8.0474 8.1536 8.1558 8.6935 8.6935 k = 0.4400-0.1838 0.6124 ( 3345 PWs) bands (ev): -24.0130 -24.0130 -23.2333 -23.2333 -23.2209 -23.2209 -23.1974 -23.1974 -8.8834 -8.8834 -5.6368 -5.6368 -5.4638 -5.4638 -5.4346 -5.4328 -4.5489 -4.5489 -4.5434 -4.5421 -4.1215 -4.1215 -4.0888 -4.0843 -3.9776 -3.9776 -3.0623 -3.0623 -3.0386 -3.0343 -3.0017 -3.0017 5.8845 5.8845 8.0442 8.0442 8.1526 8.1547 8.6234 8.6234 k = 0.4450-0.1980 0.6124 ( 3339 PWs) bands (ev): -24.0084 -24.0084 -23.2340 -23.2340 -23.2214 -23.2214 -23.2015 -23.2015 -8.8905 -8.8905 -5.6058 -5.6058 -5.4551 -5.4551 -5.4262 -5.4244 -4.5573 -4.5573 -4.5526 -4.5512 -4.1318 -4.1318 -4.0978 -4.0937 -4.0011 -4.0011 -3.0535 -3.0535 -3.0291 -3.0251 -2.9981 -2.9981 5.9271 5.9271 8.0409 8.0409 8.1518 8.1538 8.5554 8.5554 k = 0.4500-0.2121 0.6124 ( 3339 PWs) bands (ev): -24.0042 -24.0042 -23.2347 -23.2347 -23.2219 -23.2219 -23.2053 -23.2053 -8.8970 -8.8970 -5.5760 -5.5760 -5.4468 -5.4468 -5.4185 -5.4167 -4.5648 -4.5648 -4.5609 -4.5595 -4.1416 -4.1416 -4.1062 -4.1026 -4.0240 -4.0240 -3.0454 -3.0454 -3.0203 -3.0166 -2.9947 -2.9947 5.9689 5.9689 8.0376 8.0376 8.1513 8.1531 8.4903 8.4903 k = 0.4550-0.2263 0.6124 ( 3333 PWs) bands (ev): -24.0002 -24.0002 -23.2354 -23.2354 -23.2223 -23.2223 -23.2088 -23.2088 -8.9030 -8.9030 -5.5479 -5.5479 -5.4389 -5.4389 -5.4114 -5.4097 -4.5715 -4.5715 -4.5683 -4.5669 -4.1509 -4.1509 -4.1141 -4.1109 -4.0459 -4.0459 -3.0381 -3.0381 -3.0121 -3.0088 -2.9915 -2.9915 6.0095 6.0095 8.0340 8.0340 8.1508 8.1525 8.4286 8.4286 k = 0.4600-0.2404 0.6124 ( 3336 PWs) bands (ev): -23.9965 -23.9965 -23.2361 -23.2361 -23.2226 -23.2226 -23.2121 -23.2121 -8.9085 -8.9085 -5.5219 -5.5219 -5.4314 -5.4314 -5.4050 -5.4034 -4.5774 -4.5774 -4.5749 -4.5735 -4.1598 -4.1598 -4.1214 -4.1185 -4.0665 -4.0665 -3.0316 -3.0316 -3.0048 -3.0018 -2.9885 -2.9885 6.0485 6.0485 8.0301 8.0301 8.1505 8.1520 8.3713 8.3713 k = 0.4650-0.2546 0.6124 ( 3330 PWs) bands (ev): -23.9931 -23.9931 -23.2368 -23.2368 -23.2230 -23.2230 -23.2150 -23.2150 -8.9133 -8.9133 -5.4984 -5.4984 -5.4239 -5.4239 -5.3992 -5.3978 -4.5824 -4.5824 -4.5806 -4.5793 -4.1682 -4.1682 -4.1279 -4.1254 -4.0854 -4.0854 -3.0259 -3.0259 -2.9981 -2.9955 -2.9857 -2.9857 6.0851 6.0851 8.0256 8.0256 8.1504 8.1517 8.3192 8.3192 k = 0.4700-0.2687 0.6124 ( 3324 PWs) bands (ev): -23.9901 -23.9901 -23.2374 -23.2374 -23.2232 -23.2232 -23.2175 -23.2175 -8.9176 -8.9176 -5.4783 -5.4783 -5.4163 -5.4163 -5.3942 -5.3930 -4.5868 -4.5868 -4.5854 -4.5843 -4.1760 -4.1760 -4.1337 -4.1315 -4.1023 -4.1023 -3.0211 -3.0211 -2.9923 -2.9900 -2.9831 -2.9831 6.1188 6.1188 8.0204 8.0204 8.1503 8.1514 8.2732 8.2732 k = 0.4750-0.2828 0.6124 ( 3324 PWs) bands (ev): -23.9875 -23.9875 -23.2381 -23.2381 -23.2235 -23.2235 -23.2195 -23.2195 -8.9212 -8.9212 -5.4620 -5.4620 -5.4083 -5.4083 -5.3900 -5.3889 -4.5903 -4.5903 -4.5895 -4.5885 -4.1832 -4.1832 -4.1386 -4.1369 -4.1169 -4.1169 -3.0170 -3.0170 -2.9873 -2.9854 -2.9809 -2.9809 6.1489 6.1489 8.0144 8.0144 8.1503 8.1512 8.2342 8.2342 k = 0.4800-0.2970 0.6124 ( 3324 PWs) bands (ev): -23.9853 -23.9853 -23.2388 -23.2388 -23.2237 -23.2237 -23.2212 -23.2212 -8.9241 -8.9241 -5.4498 -5.4498 -5.4001 -5.4001 -5.3864 -5.3856 -4.5932 -4.5932 -4.5928 -4.5919 -4.1897 -4.1897 -4.1427 -4.1413 -4.1289 -4.1289 -3.0138 -3.0138 -2.9831 -2.9816 -2.9789 -2.9789 6.1748 6.1748 8.0077 8.0077 8.1503 8.1511 8.2027 8.2027 k = 0.4850-0.3111 0.6124 ( 3309 PWs) bands (ev): -23.9836 -23.9836 -23.2393 -23.2393 -23.2238 -23.2238 -23.2224 -23.2224 -8.9264 -8.9264 -5.4414 -5.4414 -5.3922 -5.3922 -5.3837 -5.3830 -4.5954 -4.5954 -4.5952 -4.5946 -4.1953 -4.1953 -4.1459 -4.1448 -4.1381 -4.1381 -3.0113 -3.0113 -2.9798 -2.9787 -2.9774 -2.9774 6.1958 6.1958 8.0007 8.0007 8.1503 8.1509 8.1791 8.1791 k = 0.4900-0.3253 0.6124 ( 3300 PWs) bands (ev): -23.9824 -23.9824 -23.2397 -23.2397 -23.2239 -23.2239 -23.2233 -23.2233 -8.9280 -8.9280 -5.4361 -5.4361 -5.3856 -5.3856 -5.3816 -5.3812 -4.5970 -4.5970 -4.5970 -4.5965 -4.1995 -4.1995 -4.1482 -4.1475 -4.1446 -4.1446 -3.0095 -3.0095 -2.9774 -2.9766 -2.9762 -2.9762 6.2113 6.2113 7.9945 7.9945 8.1504 8.1508 8.1629 8.1629 k = 0.4950-0.3394 0.6124 ( 3300 PWs) bands (ev): -23.9817 -23.9817 -23.2400 -23.2400 -23.2240 -23.2240 -23.2238 -23.2238 -8.9290 -8.9290 -5.4331 -5.4331 -5.3813 -5.3813 -5.3804 -5.3801 -4.5979 -4.5979 -4.5979 -4.5977 -4.2023 -4.2023 -4.1495 -4.1491 -4.1485 -4.1485 -3.0085 -3.0085 -2.9759 -2.9755 -2.9755 -2.9755 6.2208 6.2208 7.9901 7.9901 8.1505 8.1507 8.1536 8.1536 k = 0.5000-0.3536 0.6124 ( 3300 PWs) bands (ev): -23.9814 -23.9814 -23.2401 -23.2401 -23.2240 -23.2240 -23.2240 -23.2240 -8.9294 -8.9294 -5.4322 -5.4322 -5.3799 -5.3799 -5.3799 -5.3799 -4.5982 -4.5982 -4.5982 -4.5982 -4.2032 -4.2032 -4.1498 -4.1498 -4.1498 -4.1498 -3.0082 -3.0082 -2.9752 -2.9752 -2.9752 -2.9752 6.2240 6.2240 7.9886 7.9886 8.1506 8.1506 8.1506 8.1506 k = 0.2500 0.3536 0.6124 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1868 -23.1868 -23.1709 -23.1709 -23.1709 -23.1709 -8.6211 -8.6211 -6.0090 -6.0090 -5.9582 -5.9582 -5.9582 -5.9582 -3.9688 -3.9688 -3.9688 -3.9688 -3.8673 -3.8673 -3.8080 -3.8080 -3.8080 -3.8080 -3.3115 -3.3115 -3.2797 -3.2797 -3.2797 -3.2797 5.1455 5.1455 8.5500 8.5500 8.6585 8.6585 8.6585 8.6585 k = 0.2414 0.3414 0.6124 ( 3352 PWs) bands (ev): -24.1174 -24.1174 -23.1872 -23.1872 -23.1726 -23.1726 -23.1688 -23.1688 -8.6212 -8.6212 -6.0154 -6.0154 -5.9676 -5.9676 -5.9415 -5.9415 -3.9701 -3.9701 -3.9688 -3.9688 -3.8709 -3.8709 -3.8165 -3.8165 -3.7955 -3.7955 -3.3131 -3.3131 -3.2840 -3.2840 -3.2738 -3.2738 5.1451 5.1451 8.5321 8.5321 8.6366 8.6366 8.7007 8.7007 k = 0.2328 0.3292 0.6124 ( 3358 PWs) bands (ev): -24.1174 -24.1174 -23.1885 -23.1885 -23.1737 -23.1737 -23.1664 -23.1664 -8.6215 -8.6215 -6.0308 -6.0308 -5.9709 -5.9709 -5.9206 -5.9206 -3.9737 -3.9737 -3.9690 -3.9690 -3.8812 -3.8812 -3.8195 -3.8195 -3.7810 -3.7810 -3.3175 -3.3175 -3.2864 -3.2864 -3.2666 -3.2666 5.1439 5.1439 8.4914 8.4914 8.6319 8.6319 8.7531 8.7531 k = 0.2241 0.3170 0.6124 ( 3358 PWs) bands (ev): -24.1175 -24.1175 -23.1903 -23.1903 -23.1744 -23.1744 -23.1637 -23.1637 -8.6218 -8.6218 -6.0496 -6.0496 -5.9712 -5.9712 -5.8978 -5.8978 -3.9793 -3.9793 -3.9692 -3.9692 -3.8962 -3.8962 -3.8179 -3.8179 -3.7659 -3.7659 -3.3236 -3.3236 -3.2875 -3.2875 -3.2588 -3.2588 5.1419 5.1419 8.4433 8.4433 8.6349 8.6349 8.8099 8.8099 k = 0.2155 0.3048 0.6124 ( 3352 PWs) bands (ev): -24.1177 -24.1177 -23.1926 -23.1926 -23.1747 -23.1747 -23.1609 -23.1609 -8.6224 -8.6224 -6.0692 -6.0692 -5.9702 -5.9702 -5.8739 -5.8739 -3.9865 -3.9865 -3.9696 -3.9696 -3.9138 -3.9138 -3.8136 -3.8136 -3.7509 -3.7509 -3.3305 -3.3305 -3.2879 -3.2879 -3.2507 -3.2507 5.1391 5.1391 8.3938 8.3938 8.6418 8.6418 8.8689 8.8689 k = 0.2069 0.2926 0.6124 ( 3344 PWs) bands (ev): -24.1178 -24.1178 -23.1951 -23.1951 -23.1748 -23.1748 -23.1580 -23.1580 -8.6230 -8.6230 -6.0888 -6.0888 -5.9684 -5.9684 -5.8492 -5.8492 -3.9950 -3.9950 -3.9701 -3.9701 -3.9328 -3.9328 -3.8076 -3.8076 -3.7362 -3.7362 -3.3378 -3.3378 -3.2878 -3.2878 -3.2424 -3.2424 5.1355 5.1355 8.3445 8.3445 8.6514 8.6514 8.9292 8.9292 k = 0.1983 0.2804 0.6124 ( 3332 PWs) bands (ev): -24.1180 -24.1180 -23.1978 -23.1978 -23.1748 -23.1748 -23.1551 -23.1551 -8.6238 -8.6238 -6.1082 -6.1082 -5.9661 -5.9661 -5.8241 -5.8241 -4.0045 -4.0045 -3.9707 -3.9707 -3.9526 -3.9526 -3.8007 -3.8007 -3.7222 -3.7222 -3.3450 -3.3450 -3.2875 -3.2875 -3.2341 -3.2341 5.1313 5.1313 8.2963 8.2963 8.6634 8.6634 8.9904 8.9904 k = 0.1897 0.2682 0.6124 ( 3336 PWs) bands (ev): -24.1183 -24.1183 -23.2005 -23.2005 -23.1747 -23.1747 -23.1522 -23.1522 -8.6247 -8.6247 -6.1270 -6.1270 -5.9633 -5.9633 -5.7987 -5.7987 -4.0147 -4.0147 -3.9748 -3.9748 -3.9696 -3.9696 -3.7934 -3.7934 -3.7089 -3.7089 -3.3520 -3.3520 -3.2870 -3.2870 -3.2260 -3.2260 5.1265 5.1265 8.2494 8.2494 8.6776 8.6776 9.0521 9.0521 k = 0.1810 0.2560 0.6124 ( 3336 PWs) bands (ev): -24.1185 -24.1185 -23.2032 -23.2032 -23.1744 -23.1744 -23.1494 -23.1494 -8.6257 -8.6257 -6.1452 -6.1452 -5.9602 -5.9602 -5.7729 -5.7729 -4.0257 -4.0257 -3.9942 -3.9942 -3.9714 -3.9714 -3.7857 -3.7857 -3.6964 -3.6964 -3.3587 -3.3587 -3.2863 -3.2863 -3.2180 -3.2180 5.1211 5.1211 8.2041 8.2041 8.6937 8.6937 9.1141 9.1141 k = 0.1724 0.2438 0.6124 ( 3338 PWs) bands (ev): -24.1188 -24.1188 -23.2059 -23.2059 -23.1742 -23.1742 -23.1465 -23.1465 -8.6268 -8.6268 -6.1628 -6.1628 -5.9567 -5.9567 -5.7471 -5.7471 -4.0376 -4.0376 -4.0143 -4.0143 -3.9723 -3.9723 -3.7780 -3.7780 -3.6848 -3.6848 -3.3649 -3.3649 -3.2855 -3.2855 -3.2101 -3.2101 5.1152 5.1152 8.1604 8.1604 8.7117 8.7117 9.1760 9.1760 k = 0.1638 0.2316 0.6124 ( 3334 PWs) bands (ev): -24.1191 -24.1191 -23.2086 -23.2086 -23.1738 -23.1738 -23.1438 -23.1438 -8.6280 -8.6280 -6.1796 -6.1796 -5.9529 -5.9529 -5.7212 -5.7212 -4.0514 -4.0514 -4.0328 -4.0328 -3.9731 -3.9731 -3.7704 -3.7704 -3.6742 -3.6742 -3.3706 -3.3706 -3.2847 -3.2847 -3.2025 -3.2025 5.1090 5.1090 8.1186 8.1186 8.7314 8.7314 9.2376 9.2376 k = 0.1552 0.2194 0.6124 ( 3322 PWs) bands (ev): -24.1194 -24.1194 -23.2112 -23.2112 -23.1735 -23.1735 -23.1411 -23.1411 -8.6293 -8.6293 -6.1957 -6.1957 -5.9488 -5.9488 -5.6952 -5.6952 -4.0685 -4.0685 -4.0482 -4.0482 -3.9739 -3.9739 -3.7630 -3.7630 -3.6646 -3.6646 -3.3757 -3.3757 -3.2838 -3.2838 -3.1952 -3.1952 5.1024 5.1024 8.0786 8.0786 8.7526 8.7526 9.2986 9.2986 k = 0.1466 0.2073 0.6124 ( 3324 PWs) bands (ev): -24.1197 -24.1197 -23.2137 -23.2137 -23.1731 -23.1731 -23.1385 -23.1385 -8.6306 -8.6306 -6.2110 -6.2110 -5.9446 -5.9446 -5.6695 -5.6695 -4.0883 -4.0883 -4.0607 -4.0607 -3.9748 -3.9748 -3.7559 -3.7559 -3.6560 -3.6560 -3.3802 -3.3802 -3.2828 -3.2828 -3.1882 -3.1882 5.0955 5.0955 8.0406 8.0406 8.7752 8.7752 9.3588 9.3588 k = 0.1379 0.1951 0.6124 ( 3324 PWs) bands (ev): -24.1201 -24.1201 -23.2162 -23.2162 -23.1727 -23.1727 -23.1360 -23.1360 -8.6320 -8.6320 -6.2255 -6.2255 -5.9402 -5.9402 -5.6439 -5.6439 -4.1092 -4.1092 -4.0719 -4.0719 -3.9757 -3.9757 -3.7490 -3.7490 -3.6485 -3.6485 -3.3839 -3.3839 -3.2818 -3.2818 -3.1814 -3.1814 5.0885 5.0885 8.0045 8.0045 8.7989 8.7989 9.4177 9.4177 k = 0.1293 0.1829 0.6124 ( 3328 PWs) bands (ev): -24.1204 -24.1204 -23.2185 -23.2185 -23.1723 -23.1723 -23.1336 -23.1336 -8.6333 -8.6333 -6.2393 -6.2393 -5.9358 -5.9358 -5.6188 -5.6188 -4.1304 -4.1304 -4.0822 -4.0822 -3.9766 -3.9766 -3.7426 -3.7426 -3.6420 -3.6420 -3.3870 -3.3870 -3.2808 -3.2808 -3.1750 -3.1750 5.0814 5.0814 7.9705 7.9705 8.8236 8.8236 9.4752 9.4752 k = 0.1207 0.1707 0.6124 ( 3324 PWs) bands (ev): -24.1208 -24.1208 -23.2208 -23.2208 -23.1719 -23.1719 -23.1313 -23.1313 -8.6347 -8.6347 -6.2521 -6.2521 -5.9313 -5.9313 -5.5940 -5.5940 -4.1516 -4.1516 -4.0920 -4.0920 -3.9775 -3.9775 -3.7365 -3.7365 -3.6365 -3.6365 -3.3894 -3.3894 -3.2797 -3.2797 -3.1690 -3.1690 5.0743 5.0743 7.9385 7.9385 8.8490 8.8490 9.5308 9.5308 k = 0.1121 0.1585 0.6124 ( 3324 PWs) bands (ev): -24.1211 -24.1211 -23.2229 -23.2229 -23.1714 -23.1714 -23.1291 -23.1291 -8.6361 -8.6361 -6.2642 -6.2642 -5.9268 -5.9268 -5.5699 -5.5699 -4.1725 -4.1725 -4.1012 -4.1012 -3.9784 -3.9784 -3.7308 -3.7308 -3.6321 -3.6321 -3.3911 -3.3911 -3.2787 -3.2787 -3.1633 -3.1633 5.0674 5.0674 7.9086 7.9086 8.8750 8.8750 9.5844 9.5844 k = 0.1034 0.1463 0.6124 ( 3326 PWs) bands (ev): -24.1215 -24.1215 -23.2249 -23.2249 -23.1710 -23.1710 -23.1271 -23.1271 -8.6374 -8.6374 -6.2754 -6.2754 -5.9225 -5.9225 -5.5465 -5.5465 -4.1928 -4.1928 -4.1099 -4.1099 -3.9793 -3.9793 -3.7255 -3.7255 -3.6285 -3.6285 -3.3922 -3.3922 -3.2777 -3.2777 -3.1580 -3.1580 5.0606 5.0606 7.8808 7.8808 8.9011 8.9011 9.6354 9.6354 k = 0.0948 0.1341 0.6124 ( 3314 PWs) bands (ev): -24.1218 -24.1218 -23.2267 -23.2267 -23.1706 -23.1706 -23.1252 -23.1252 -8.6387 -8.6387 -6.2857 -6.2857 -5.9182 -5.9182 -5.5240 -5.5240 -4.2125 -4.2125 -4.1180 -4.1180 -3.9801 -3.9801 -3.7207 -3.7207 -3.6257 -3.6257 -3.3927 -3.3927 -3.2767 -3.2767 -3.1530 -3.1530 5.0540 5.0540 7.8552 7.8552 8.9271 8.9271 9.6838 9.6838 k = 0.0862 0.1219 0.6124 ( 3328 PWs) bands (ev): -24.1221 -24.1221 -23.2284 -23.2284 -23.1702 -23.1702 -23.1235 -23.1235 -8.6400 -8.6400 -6.2952 -6.2952 -5.9141 -5.9141 -5.5026 -5.5026 -4.2314 -4.2314 -4.1255 -4.1255 -3.9810 -3.9810 -3.7163 -3.7163 -3.6237 -3.6237 -3.3928 -3.3928 -3.2758 -3.2758 -3.1485 -3.1485 5.0478 5.0478 7.8317 7.8317 8.9528 8.9528 9.7290 9.7290 k = 0.0776 0.1097 0.6124 ( 3324 PWs) bands (ev): -24.1224 -24.1224 -23.2300 -23.2300 -23.1699 -23.1699 -23.1218 -23.1218 -8.6412 -8.6412 -6.3038 -6.3038 -5.9102 -5.9102 -5.4823 -5.4823 -4.2493 -4.2493 -4.1324 -4.1324 -3.9817 -3.9817 -3.7124 -3.7124 -3.6223 -3.6223 -3.3925 -3.3925 -3.2749 -3.2749 -3.1444 -3.1444 5.0419 5.0419 7.8105 7.8105 8.9778 8.9778 9.7708 9.7708 k = 0.0690 0.0975 0.6124 ( 3314 PWs) bands (ev): -24.1227 -24.1227 -23.2314 -23.2314 -23.1695 -23.1695 -23.1204 -23.1204 -8.6423 -8.6423 -6.3115 -6.3115 -5.9066 -5.9066 -5.4635 -5.4635 -4.2660 -4.2660 -4.1387 -4.1387 -3.9824 -3.9824 -3.7088 -3.7088 -3.6213 -3.6213 -3.3919 -3.3919 -3.2741 -3.2741 -3.1407 -3.1407 5.0365 5.0365 7.7914 7.7914 9.0016 9.0016 9.8091 9.8091 k = 0.0603 0.0853 0.6124 ( 3318 PWs) bands (ev): -24.1229 -24.1229 -23.2327 -23.2327 -23.1692 -23.1692 -23.1191 -23.1191 -8.6433 -8.6433 -6.3183 -6.3183 -5.9034 -5.9034 -5.4463 -5.4463 -4.2814 -4.2814 -4.1443 -4.1443 -3.9831 -3.9831 -3.7058 -3.7058 -3.6208 -3.6208 -3.3912 -3.3912 -3.2733 -3.2733 -3.1374 -3.1374 5.0316 5.0316 7.7745 7.7745 9.0240 9.0240 9.8434 9.8434 k = 0.0517 0.0731 0.6124 ( 3316 PWs) bands (ev): -24.1231 -24.1231 -23.2338 -23.2338 -23.1689 -23.1689 -23.1180 -23.1180 -8.6441 -8.6441 -6.3242 -6.3242 -5.9004 -5.9004 -5.4308 -5.4308 -4.2952 -4.2952 -4.1492 -4.1492 -3.9836 -3.9836 -3.7031 -3.7031 -3.6205 -3.6205 -3.3903 -3.3903 -3.2727 -3.2727 -3.1346 -3.1346 5.0273 5.0273 7.7599 7.7599 9.0445 9.0445 9.8736 9.8736 k = 0.0431 0.0610 0.6124 ( 3316 PWs) bands (ev): -24.1233 -24.1233 -23.2347 -23.2347 -23.1687 -23.1687 -23.1170 -23.1170 -8.6449 -8.6449 -6.3292 -6.3292 -5.8979 -5.8979 -5.4174 -5.4174 -4.3073 -4.3073 -4.1534 -4.1534 -3.9841 -3.9841 -3.7009 -3.7009 -3.6204 -3.6204 -3.3895 -3.3895 -3.2721 -3.2721 -3.1322 -3.1322 5.0235 5.0235 7.7475 7.7475 9.0628 9.0628 9.8995 9.8995 k = 0.0345 0.0488 0.6124 ( 3312 PWs) bands (ev): -24.1235 -24.1235 -23.2355 -23.2355 -23.1685 -23.1685 -23.1162 -23.1162 -8.6455 -8.6455 -6.3333 -6.3333 -5.8958 -5.8958 -5.4061 -5.4061 -4.3174 -4.3174 -4.1568 -4.1568 -3.9845 -3.9845 -3.6991 -3.6991 -3.6205 -3.6205 -3.3887 -3.3887 -3.2716 -3.2716 -3.1302 -3.1302 5.0204 5.0204 7.7373 7.7373 9.0783 9.0783 9.9209 9.9209 k = 0.0259 0.0366 0.6124 ( 3316 PWs) bands (ev): -24.1236 -24.1236 -23.2361 -23.2361 -23.1683 -23.1683 -23.1156 -23.1156 -8.6460 -8.6460 -6.3365 -6.3365 -5.8941 -5.8941 -5.3971 -5.3971 -4.3256 -4.3256 -4.1595 -4.1595 -3.9849 -3.9849 -3.6977 -3.6977 -3.6206 -3.6206 -3.3880 -3.3880 -3.2712 -3.2712 -3.1286 -3.1286 5.0179 5.0179 7.7294 7.7294 9.0909 9.0909 9.9376 9.9376 k = 0.0172 0.0244 0.6124 ( 3320 PWs) bands (ev): -24.1237 -24.1237 -23.2365 -23.2365 -23.1682 -23.1682 -23.1152 -23.1152 -8.6464 -8.6464 -6.3388 -6.3388 -5.8929 -5.8929 -5.3906 -5.3906 -4.3314 -4.3314 -4.1614 -4.1614 -3.9851 -3.9851 -3.6967 -3.6967 -3.6207 -3.6207 -3.3875 -3.3875 -3.2710 -3.2710 -3.1275 -3.1275 5.0161 5.0161 7.7238 7.7238 9.1001 9.1001 9.9497 9.9497 k = 0.0086 0.0122 0.6124 ( 3316 PWs) bands (ev): -24.1238 -24.1238 -23.2368 -23.2368 -23.1681 -23.1681 -23.1149 -23.1149 -8.6466 -8.6466 -6.3401 -6.3401 -5.8921 -5.8921 -5.3866 -5.3866 -4.3350 -4.3350 -4.1626 -4.1626 -3.9852 -3.9852 -3.6961 -3.6961 -3.6207 -3.6207 -3.3872 -3.3872 -3.2708 -3.2708 -3.1269 -3.1269 5.0151 5.0151 7.7204 7.7204 9.1057 9.1057 9.9570 9.9570 k = 0.0000 0.0000 0.6124 ( 3316 PWs) bands (ev): -24.1238 -24.1238 -23.2368 -23.2368 -23.1681 -23.1681 -23.1148 -23.1148 -8.6467 -8.6467 -6.3406 -6.3406 -5.8919 -5.8919 -5.3853 -5.3853 -4.3362 -4.3362 -4.1630 -4.1630 -3.9853 -3.9853 -3.6959 -3.6959 -3.6208 -3.6208 -3.3871 -3.3871 -3.2707 -3.2707 -3.1267 -3.1267 5.0147 5.0147 7.7192 7.7192 9.1076 9.1076 9.9594 9.9594 Writing output data file GeF4.save init_run : 1.61s CPU 11.70s WALL ( 1 calls) electrons : 208.49s CPU 213.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.53s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 208.47s CPU 213.09s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.99s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.11s CPU 0.65s WALL ( 1 calls) newd : 0.05s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.12s WALL ( 275 calls) cegterg : 178.66s CPU 180.04s WALL ( 352 calls) Called by sum_band: Called by *egterg: h_psi : 93.79s CPU 97.30s WALL ( 6006 calls) s_psi : 3.49s CPU 3.77s WALL ( 6006 calls) g_psi : 0.23s CPU 0.24s WALL ( 5379 calls) cdiaghg : 57.66s CPU 56.92s WALL ( 5654 calls) cegterg:over : 16.35s CPU 14.91s WALL ( 5379 calls) cegterg:upda : 2.30s CPU 3.62s WALL ( 5379 calls) cegterg:last : 2.63s CPU 3.09s WALL ( 1177 calls) Called by h_psi: h_psi:vloc : 83.27s CPU 86.05s WALL ( 6006 calls) h_psi:vnl : 10.43s CPU 10.98s WALL ( 6006 calls) add_vuspsi : 1.43s CPU 3.05s WALL ( 6006 calls) General routines calbec : 8.99s CPU 7.86s WALL ( 6006 calls) fft : 0.62s CPU 1.22s WALL ( 19 calls) ffts : 0.05s CPU 0.09s WALL ( 4 calls) fftw : 78.43s CPU 80.64s WALL ( 539968 calls) interpolate : 0.13s CPU 0.19s WALL ( 4 calls) davcio : 0.03s CPU 2.04s WALL ( 550 calls) Parallel routines fft_scatter : 49.84s CPU 51.21s WALL ( 539991 calls) PWSCF : 4m 7.74s CPU 5m30.11s WALL This run was terminated on: 3:30:25 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=