Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:50: 2 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Mg2SiNi3.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 36 10 1925 913 138 Max 61 37 11 1928 928 143 Sum 2183 1331 383 69343 33131 5059 bravais-lattice index = 14 lattice parameter (alat) = 8.8660 a.u. unit-cell volume = 541.0258 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.865992 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.431125 celldm(5)= 0.431125 celldm(6)= 0.431125 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.431125 0.902292 0.000000 ) a(3) = ( 0.431125 0.271815 0.860377 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.477810 -0.350136 ) b(2) = ( 0.000000 1.108288 -0.350136 ) b(3) = ( 0.000000 0.000000 1.162281 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0128205 -0.0061258 -0.0044889), wk = 0.0034014 k( 3) = ( 0.0256410 -0.0122516 -0.0089778), wk = 0.0034014 k( 4) = ( 0.0384615 -0.0183773 -0.0134668), wk = 0.0034014 k( 5) = ( 0.0512821 -0.0245031 -0.0179557), wk = 0.0034014 k( 6) = ( 0.0641026 -0.0306289 -0.0224446), wk = 0.0034014 k( 7) = ( 0.0769231 -0.0367547 -0.0269335), wk = 0.0034014 k( 8) = ( 0.0897436 -0.0428804 -0.0314225), wk = 0.0034014 k( 9) = ( 0.1025641 -0.0490062 -0.0359114), wk = 0.0034014 k( 10) = ( 0.1153846 -0.0551320 -0.0404003), wk = 0.0034014 k( 11) = ( 0.1282051 -0.0612578 -0.0448892), wk = 0.0034014 k( 12) = ( 0.1410256 -0.0673835 -0.0493782), wk = 0.0034014 k( 13) = ( 0.1538461 -0.0735093 -0.0538671), wk = 0.0034014 k( 14) = ( 0.1666667 -0.0796351 -0.0583560), wk = 0.0034014 k( 15) = ( 0.1794872 -0.0857609 -0.0628449), wk = 0.0034014 k( 16) = ( 0.1923077 -0.0918866 -0.0673338), wk = 0.0034014 k( 17) = ( 0.2051282 -0.0980124 -0.0718228), wk = 0.0034014 k( 18) = ( 0.2179487 -0.1041382 -0.0763117), wk = 0.0034014 k( 19) = ( 0.2307692 -0.1102640 -0.0808006), wk = 0.0034014 k( 20) = ( 0.2435897 -0.1163897 -0.0852895), wk = 0.0034014 k( 21) = ( 0.2564103 -0.1225155 -0.0897785), wk = 0.0034014 k( 22) = ( 0.2692308 -0.1286413 -0.0942674), wk = 0.0034014 k( 23) = ( 0.2820513 -0.1347671 -0.0987563), wk = 0.0034014 k( 24) = ( 0.2948718 -0.1408928 -0.1032452), wk = 0.0034014 k( 25) = ( 0.3076923 -0.1470186 -0.1077341), wk = 0.0034014 k( 26) = ( 0.3205128 -0.1531444 -0.1122231), wk = 0.0034014 k( 27) = ( 0.3333333 -0.1592702 -0.1167120), wk = 0.0034014 k( 28) = ( 0.3461538 -0.1653959 -0.1212009), wk = 0.0034014 k( 29) = ( 0.3589744 -0.1715217 -0.1256898), wk = 0.0034014 k( 30) = ( 0.3717949 -0.1776475 -0.1301788), wk = 0.0034014 k( 31) = ( 0.3846154 -0.1837733 -0.1346677), wk = 0.0034014 k( 32) = ( 0.3974359 -0.1898990 -0.1391566), wk = 0.0034014 k( 33) = ( 0.4102564 -0.1960248 -0.1436455), wk = 0.0034014 k( 34) = ( 0.4230769 -0.2021506 -0.1481345), wk = 0.0034014 k( 35) = ( 0.4358974 -0.2082764 -0.1526234), wk = 0.0034014 k( 36) = ( 0.4487179 -0.2144021 -0.1571123), wk = 0.0034014 k( 37) = ( 0.4615385 -0.2205279 -0.1616012), wk = 0.0034014 k( 38) = ( 0.4743590 -0.2266537 -0.1660901), wk = 0.0034014 k( 39) = ( 0.4871795 -0.2327795 -0.1705791), wk = 0.0034014 k( 40) = ( 0.5000000 -0.2389052 -0.1750680), wk = 0.0034014 k( 41) = ( 0.5000000 -0.2389052 -0.1750680), wk = 0.0034014 k( 42) = ( 0.5000000 -0.2301533 -0.1870113), wk = 0.0034014 k( 43) = ( 0.5000000 -0.2214013 -0.1989546), wk = 0.0034014 k( 44) = ( 0.5000000 -0.2126493 -0.2108979), wk = 0.0034014 k( 45) = ( 0.5000000 -0.2038974 -0.2228412), wk = 0.0034014 k( 46) = ( 0.5000000 -0.1951454 -0.2347846), wk = 0.0034014 k( 47) = ( 0.5000000 -0.1863934 -0.2467279), wk = 0.0034014 k( 48) = ( 0.5000000 -0.1776414 -0.2586712), wk = 0.0034014 k( 49) = ( 0.5000000 -0.1688895 -0.2706145), wk = 0.0034014 k( 50) = ( 0.5000000 -0.1601375 -0.2825578), wk = 0.0034014 k( 51) = ( 0.5000000 -0.1513855 -0.2945011), wk = 0.0034014 k( 52) = ( 0.5000000 -0.1426335 -0.3064445), wk = 0.0034014 k( 53) = ( 0.5000000 -0.1338816 -0.3183878), wk = 0.0034014 k( 54) = ( 0.5000000 -0.1251296 -0.3303311), wk = 0.0034014 k( 55) = ( 0.5000000 -0.1163776 -0.3422744), wk = 0.0034014 k( 56) = ( 0.5000000 -0.1076256 -0.3542177), wk = 0.0034014 k( 57) = ( 0.5000000 -0.0988737 -0.3661610), wk = 0.0034014 k( 58) = ( 0.5000000 -0.0901217 -0.3781044), wk = 0.0034014 k( 59) = ( 0.5000000 -0.0813697 -0.3900477), wk = 0.0034014 k( 60) = ( 0.5000000 -0.0726178 -0.4019910), wk = 0.0034014 k( 61) = ( 0.5000000 -0.0638658 -0.4139343), wk = 0.0034014 k( 62) = ( 0.5000000 -0.0551138 -0.4258776), wk = 0.0034014 k( 63) = ( 0.5000000 -0.0463618 -0.4378209), wk = 0.0034014 k( 64) = ( 0.5000000 -0.0376099 -0.4497642), wk = 0.0034014 k( 65) = ( 0.5000000 -0.0288579 -0.4617075), wk = 0.0034014 k( 66) = ( 0.5000000 -0.0201059 -0.4736509), wk = 0.0034014 k( 67) = ( 0.5000000 -0.0113539 -0.4855942), wk = 0.0034014 k( 68) = ( 0.5000000 -0.0026020 -0.4975375), wk = 0.0034014 k( 69) = ( 0.5000000 0.0061500 -0.5094808), wk = 0.0034014 k( 70) = ( 0.5000000 0.0149020 -0.5214241), wk = 0.0034014 k( 71) = ( 0.5000000 0.0236539 -0.5333674), wk = 0.0034014 k( 72) = ( 0.5000000 0.0324059 -0.5453108), wk = 0.0034014 k( 73) = ( 0.5000000 0.0411579 -0.5572541), wk = 0.0034014 k( 74) = ( 0.5000000 0.0499099 -0.5691974), wk = 0.0034014 k( 75) = ( 0.5000000 0.0586618 -0.5811407), wk = 0.0034014 k( 76) = ( 0.7315075 0.2046222 -0.1191313), wk = 0.0034014 k( 77) = ( 0.7237906 0.2083094 -0.1074601), wk = 0.0034014 k( 78) = ( 0.7160737 0.2119966 -0.0957889), wk = 0.0034014 k( 79) = ( 0.7083568 0.2156838 -0.0841177), wk = 0.0034014 k( 80) = ( 0.7006398 0.2193711 -0.0724465), wk = 0.0034014 k( 81) = ( 0.6929229 0.2230583 -0.0607753), wk = 0.0034014 k( 82) = ( 0.6852060 0.2267455 -0.0491041), wk = 0.0034014 k( 83) = ( 0.6774891 0.2304327 -0.0374329), wk = 0.0034014 k( 84) = ( 0.6697722 0.2341200 -0.0257617), wk = 0.0034014 k( 85) = ( 0.6620553 0.2378072 -0.0140905), wk = 0.0034014 k( 86) = ( 0.6543383 0.2414944 -0.0024193), wk = 0.0034014 k( 87) = ( 0.6466214 0.2451816 0.0092519), wk = 0.0034014 k( 88) = ( 0.6389045 0.2488689 0.0209231), wk = 0.0034014 k( 89) = ( 0.6311876 0.2525561 0.0325943), wk = 0.0034014 k( 90) = ( 0.6234707 0.2562433 0.0442655), wk = 0.0034014 k( 91) = ( 0.6157537 0.2599305 0.0559367), wk = 0.0034014 k( 92) = ( 0.6080368 0.2636178 0.0676079), wk = 0.0034014 k( 93) = ( 0.6003199 0.2673050 0.0792791), wk = 0.0034014 k( 94) = ( 0.5926030 0.2709922 0.0909503), wk = 0.0034014 k( 95) = ( 0.5848861 0.2746794 0.1026215), wk = 0.0034014 k( 96) = ( 0.5771692 0.2783666 0.1142927), wk = 0.0034014 k( 97) = ( 0.5694522 0.2820539 0.1259639), wk = 0.0034014 k( 98) = ( 0.5617353 0.2857411 0.1376351), wk = 0.0034014 k( 99) = ( 0.5540184 0.2894283 0.1493063), wk = 0.0034014 k( 100) = ( 0.5463015 0.2931155 0.1609775), wk = 0.0034014 k( 101) = ( 0.5385846 0.2968028 0.1726487), wk = 0.0034014 k( 102) = ( 0.5308677 0.3004900 0.1843199), wk = 0.0034014 k( 103) = ( 0.5231507 0.3041772 0.1959911), wk = 0.0034014 k( 104) = ( 0.5154338 0.3078644 0.2076623), wk = 0.0034014 k( 105) = ( 0.5077169 0.3115517 0.2193335), wk = 0.0034014 k( 106) = ( 0.5000000 0.3152389 0.2310047), wk = 0.0034014 k( 107) = ( 0.5000000 0.3152389 0.2310047), wk = 0.0034014 k( 108) = ( 0.4883721 0.3079077 0.2256325), wk = 0.0034014 k( 109) = ( 0.4767442 0.3005766 0.2202603), wk = 0.0034014 k( 110) = ( 0.4651163 0.2932455 0.2148881), wk = 0.0034014 k( 111) = ( 0.4534884 0.2859143 0.2095159), wk = 0.0034014 k( 112) = ( 0.4418605 0.2785832 0.2041437), wk = 0.0034014 k( 113) = ( 0.4302326 0.2712521 0.1987715), wk = 0.0034014 k( 114) = ( 0.4186047 0.2639209 0.1933993), wk = 0.0034014 k( 115) = ( 0.4069767 0.2565898 0.1880271), wk = 0.0034014 k( 116) = ( 0.3953488 0.2492587 0.1826549), wk = 0.0034014 k( 117) = ( 0.3837209 0.2419275 0.1772827), wk = 0.0034014 k( 118) = ( 0.3720930 0.2345964 0.1719105), wk = 0.0034014 k( 119) = ( 0.3604651 0.2272652 0.1665383), wk = 0.0034014 k( 120) = ( 0.3488372 0.2199341 0.1611661), wk = 0.0034014 k( 121) = ( 0.3372093 0.2126030 0.1557939), wk = 0.0034014 k( 122) = ( 0.3255814 0.2052718 0.1504217), wk = 0.0034014 k( 123) = ( 0.3139535 0.1979407 0.1450495), wk = 0.0034014 k( 124) = ( 0.3023256 0.1906096 0.1396773), wk = 0.0034014 k( 125) = ( 0.2906977 0.1832784 0.1343051), wk = 0.0034014 k( 126) = ( 0.2790698 0.1759473 0.1289329), wk = 0.0034014 k( 127) = ( 0.2674419 0.1686161 0.1235607), wk = 0.0034014 k( 128) = ( 0.2558140 0.1612850 0.1181885), wk = 0.0034014 k( 129) = ( 0.2441860 0.1539539 0.1128163), wk = 0.0034014 k( 130) = ( 0.2325581 0.1466227 0.1074441), wk = 0.0034014 k( 131) = ( 0.2209302 0.1392916 0.1020719), wk = 0.0034014 k( 132) = ( 0.2093023 0.1319605 0.0966997), wk = 0.0034014 k( 133) = ( 0.1976744 0.1246293 0.0913274), wk = 0.0034014 k( 134) = ( 0.1860465 0.1172982 0.0859552), wk = 0.0034014 k( 135) = ( 0.1744186 0.1099671 0.0805830), wk = 0.0034014 k( 136) = ( 0.1627907 0.1026359 0.0752108), wk = 0.0034014 k( 137) = ( 0.1511628 0.0953048 0.0698386), wk = 0.0034014 k( 138) = ( 0.1395349 0.0879736 0.0644664), wk = 0.0034014 k( 139) = ( 0.1279070 0.0806425 0.0590942), wk = 0.0034014 k( 140) = ( 0.1162791 0.0733114 0.0537220), wk = 0.0034014 k( 141) = ( 0.1046512 0.0659802 0.0483498), wk = 0.0034014 k( 142) = ( 0.0930233 0.0586491 0.0429776), wk = 0.0034014 k( 143) = ( 0.0813954 0.0513180 0.0376054), wk = 0.0034014 k( 144) = ( 0.0697674 0.0439868 0.0322332), wk = 0.0034014 k( 145) = ( 0.0581395 0.0366557 0.0268610), wk = 0.0034014 k( 146) = ( 0.0465116 0.0293245 0.0214888), wk = 0.0034014 k( 147) = ( 0.0348837 0.0219934 0.0161166), wk = 0.0034014 k( 148) = ( 0.0232558 0.0146623 0.0107444), wk = 0.0034014 k( 149) = ( 0.0116279 0.0073311 0.0053722), wk = 0.0034014 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 152) = ( 0.0078418 -0.0037469 -0.0118600), wk = 0.0034014 k( 153) = ( 0.0156835 -0.0074938 -0.0237200), wk = 0.0034014 k( 154) = ( 0.0235253 -0.0112406 -0.0355800), wk = 0.0034014 k( 155) = ( 0.0313670 -0.0149875 -0.0474401), wk = 0.0034014 k( 156) = ( 0.0392088 -0.0187344 -0.0593001), wk = 0.0034014 k( 157) = ( 0.0470506 -0.0224813 -0.0711601), wk = 0.0034014 k( 158) = ( 0.0548923 -0.0262281 -0.0830201), wk = 0.0034014 k( 159) = ( 0.0627341 -0.0299750 -0.0948801), wk = 0.0034014 k( 160) = ( 0.0705758 -0.0337219 -0.1067401), wk = 0.0034014 k( 161) = ( 0.0784176 -0.0374688 -0.1186001), wk = 0.0034014 k( 162) = ( 0.0862594 -0.0412156 -0.1304602), wk = 0.0034014 k( 163) = ( 0.0941011 -0.0449625 -0.1423202), wk = 0.0034014 k( 164) = ( 0.1019429 -0.0487094 -0.1541802), wk = 0.0034014 k( 165) = ( 0.1097846 -0.0524563 -0.1660402), wk = 0.0034014 k( 166) = ( 0.1176264 -0.0562031 -0.1779002), wk = 0.0034014 k( 167) = ( 0.1254682 -0.0599500 -0.1897602), wk = 0.0034014 k( 168) = ( 0.1333099 -0.0636969 -0.2016202), wk = 0.0034014 k( 169) = ( 0.1411517 -0.0674438 -0.2134803), wk = 0.0034014 k( 170) = ( 0.1489934 -0.0711906 -0.2253403), wk = 0.0034014 k( 171) = ( 0.1568352 -0.0749375 -0.2372003), wk = 0.0034014 k( 172) = ( 0.1646770 -0.0786844 -0.2490603), wk = 0.0034014 k( 173) = ( 0.1725187 -0.0824313 -0.2609203), wk = 0.0034014 k( 174) = ( 0.1803605 -0.0861781 -0.2727803), wk = 0.0034014 k( 175) = ( 0.1882022 -0.0899250 -0.2846403), wk = 0.0034014 k( 176) = ( 0.1960440 -0.0936719 -0.2965004), wk = 0.0034014 k( 177) = ( 0.2038858 -0.0974188 -0.3083604), wk = 0.0034014 k( 178) = ( 0.2117275 -0.1011656 -0.3202204), wk = 0.0034014 k( 179) = ( 0.2195693 -0.1049125 -0.3320804), wk = 0.0034014 k( 180) = ( 0.2274110 -0.1086594 -0.3439404), wk = 0.0034014 k( 181) = ( 0.2352528 -0.1124063 -0.3558004), wk = 0.0034014 k( 182) = ( 0.2430946 -0.1161531 -0.3676604), wk = 0.0034014 k( 183) = ( 0.2509363 -0.1199000 -0.3795205), wk = 0.0034014 k( 184) = ( 0.2587781 -0.1236469 -0.3913805), wk = 0.0034014 k( 185) = ( 0.2666198 -0.1273938 -0.4032405), wk = 0.0034014 k( 186) = ( 0.2744616 -0.1311406 -0.4151005), wk = 0.0034014 k( 187) = ( 0.2823034 -0.1348875 -0.4269605), wk = 0.0034014 k( 188) = ( 0.2901451 -0.1386344 -0.4388205), wk = 0.0034014 k( 189) = ( 0.2979869 -0.1423813 -0.4506805), wk = 0.0034014 k( 190) = ( 0.3058286 -0.1461281 -0.4625406), wk = 0.0034014 k( 191) = ( 0.3136704 -0.1498750 -0.4744006), wk = 0.0034014 k( 192) = ( 0.3215122 -0.1536219 -0.4862606), wk = 0.0034014 k( 193) = ( 0.3293539 -0.1573688 -0.4981206), wk = 0.0034014 k( 194) = ( 0.3371957 -0.1611156 -0.5099806), wk = 0.0034014 k( 195) = ( 0.3450375 -0.1648625 -0.5218406), wk = 0.0034014 k( 196) = ( 0.3528792 -0.1686094 -0.5337007), wk = 0.0034014 k( 197) = ( 0.3607210 -0.1723563 -0.5455607), wk = 0.0034014 k( 198) = ( 0.3685627 -0.1761031 -0.5574207), wk = 0.0034014 k( 199) = ( 0.3764045 -0.1798500 -0.5692807), wk = 0.0034014 k( 200) = ( 0.3842463 -0.1835969 -0.5811407), wk = 0.0034014 k( 201) = ( 0.6157537 0.1316420 -0.3501360), wk = 0.0034014 k( 202) = ( 0.6080368 0.1438818 -0.3501360), wk = 0.0034014 k( 203) = ( 0.6003199 0.1561216 -0.3501360), wk = 0.0034014 k( 204) = ( 0.5926030 0.1683614 -0.3501360), wk = 0.0034014 k( 205) = ( 0.5848861 0.1806012 -0.3501360), wk = 0.0034014 k( 206) = ( 0.5771692 0.1928410 -0.3501360), wk = 0.0034014 k( 207) = ( 0.5694522 0.2050808 -0.3501360), wk = 0.0034014 k( 208) = ( 0.5617353 0.2173205 -0.3501360), wk = 0.0034014 k( 209) = ( 0.5540184 0.2295603 -0.3501360), wk = 0.0034014 k( 210) = ( 0.5463015 0.2418001 -0.3501360), wk = 0.0034014 k( 211) = ( 0.5385846 0.2540399 -0.3501360), wk = 0.0034014 k( 212) = ( 0.5308677 0.2662797 -0.3501360), wk = 0.0034014 k( 213) = ( 0.5231507 0.2785195 -0.3501360), wk = 0.0034014 k( 214) = ( 0.5154338 0.2907593 -0.3501360), wk = 0.0034014 k( 215) = ( 0.5077169 0.3029991 -0.3501360), wk = 0.0034014 k( 216) = ( 0.5000000 0.3152389 -0.3501360), wk = 0.0034014 k( 217) = ( 0.5000000 0.3152389 -0.3501360), wk = 0.0034014 k( 218) = ( 0.5064308 0.3192933 -0.3373024), wk = 0.0034014 k( 219) = ( 0.5128615 0.3233478 -0.3244688), wk = 0.0034014 k( 220) = ( 0.5192923 0.3274022 -0.3116352), wk = 0.0034014 k( 221) = ( 0.5257231 0.3314567 -0.2988016), wk = 0.0034014 k( 222) = ( 0.5321538 0.3355112 -0.2859680), wk = 0.0034014 k( 223) = ( 0.5385846 0.3395656 -0.2731344), wk = 0.0034014 k( 224) = ( 0.5450154 0.3436201 -0.2603008), wk = 0.0034014 k( 225) = ( 0.5514461 0.3476745 -0.2474672), wk = 0.0034014 k( 226) = ( 0.5578769 0.3517290 -0.2346336), wk = 0.0034014 k( 227) = ( 0.5643076 0.3557834 -0.2218000), wk = 0.0034014 k( 228) = ( 0.5707384 0.3598379 -0.2089664), wk = 0.0034014 k( 229) = ( 0.5771692 0.3638923 -0.1961328), wk = 0.0034014 k( 230) = ( 0.5835999 0.3679468 -0.1832992), wk = 0.0034014 k( 231) = ( 0.5900307 0.3720012 -0.1704656), wk = 0.0034014 k( 232) = ( 0.5964615 0.3760557 -0.1576320), wk = 0.0034014 k( 233) = ( 0.6028922 0.3801102 -0.1447985), wk = 0.0034014 k( 234) = ( 0.6093230 0.3841646 -0.1319649), wk = 0.0034014 k( 235) = ( 0.6157537 0.3882191 -0.1191313), wk = 0.0034014 k( 236) = ( 0.6157537 0.3882191 -0.1191313), wk = 0.0034014 k( 237) = ( 0.6113017 0.3854121 -0.1056645), wk = 0.0034014 k( 238) = ( 0.6068496 0.3826052 -0.0921977), wk = 0.0034014 k( 239) = ( 0.6023975 0.3797983 -0.0787309), wk = 0.0034014 k( 240) = ( 0.5979455 0.3769913 -0.0652642), wk = 0.0034014 k( 241) = ( 0.5934934 0.3741844 -0.0517974), wk = 0.0034014 k( 242) = ( 0.5890414 0.3713775 -0.0383306), wk = 0.0034014 k( 243) = ( 0.5845893 0.3685705 -0.0248639), wk = 0.0034014 k( 244) = ( 0.5801372 0.3657636 -0.0113971), wk = 0.0034014 k( 245) = ( 0.5756851 0.3629567 0.0020697), wk = 0.0034014 k( 246) = ( 0.5712331 0.3601498 0.0155364), wk = 0.0034014 k( 247) = ( 0.5667810 0.3573428 0.0290032), wk = 0.0034014 k( 248) = ( 0.5623289 0.3545359 0.0424700), wk = 0.0034014 k( 249) = ( 0.5578769 0.3517290 0.0559367), wk = 0.0034014 k( 250) = ( 0.5534248 0.3489220 0.0694035), wk = 0.0034014 k( 251) = ( 0.5489727 0.3461151 0.0828703), wk = 0.0034014 k( 252) = ( 0.5445207 0.3433082 0.0963370), wk = 0.0034014 k( 253) = ( 0.5400686 0.3405013 0.1098038), wk = 0.0034014 k( 254) = ( 0.5356165 0.3376943 0.1232706), wk = 0.0034014 k( 255) = ( 0.5311645 0.3348874 0.1367373), wk = 0.0034014 k( 256) = ( 0.5267124 0.3320805 0.1502041), wk = 0.0034014 k( 257) = ( 0.5222603 0.3292735 0.1636709), wk = 0.0034014 k( 258) = ( 0.5178083 0.3264666 0.1771376), wk = 0.0034014 k( 259) = ( 0.5133562 0.3236597 0.1906044), wk = 0.0034014 k( 260) = ( 0.5089041 0.3208527 0.2040712), wk = 0.0034014 k( 261) = ( 0.5044521 0.3180458 0.2175380), wk = 0.0034014 k( 262) = ( 0.5000000 0.3152389 0.2310047), wk = 0.0034014 k( 263) = ( 0.5000000 -0.2389052 -0.1750680), wk = 0.0034014 k( 264) = ( 0.5074680 -0.2287362 -0.1676162), wk = 0.0034014 k( 265) = ( 0.5149360 -0.2185672 -0.1601645), wk = 0.0034014 k( 266) = ( 0.5224039 -0.2083983 -0.1527127), wk = 0.0034014 k( 267) = ( 0.5298719 -0.1982293 -0.1452609), wk = 0.0034014 k( 268) = ( 0.5373399 -0.1880603 -0.1378092), wk = 0.0034014 k( 269) = ( 0.5448079 -0.1778913 -0.1303574), wk = 0.0034014 k( 270) = ( 0.5522759 -0.1677223 -0.1229056), wk = 0.0034014 k( 271) = ( 0.5597439 -0.1575533 -0.1154539), wk = 0.0034014 k( 272) = ( 0.5672119 -0.1473843 -0.1080021), wk = 0.0034014 k( 273) = ( 0.5746798 -0.1372153 -0.1005503), wk = 0.0034014 k( 274) = ( 0.5821478 -0.1270463 -0.0930986), wk = 0.0034014 k( 275) = ( 0.5896158 -0.1168773 -0.0856468), wk = 0.0034014 k( 276) = ( 0.5970838 -0.1067083 -0.0781950), wk = 0.0034014 k( 277) = ( 0.6045518 -0.0965393 -0.0707433), wk = 0.0034014 k( 278) = ( 0.6120198 -0.0863703 -0.0632915), wk = 0.0034014 k( 279) = ( 0.6194878 -0.0762013 -0.0558398), wk = 0.0034014 k( 280) = ( 0.6269557 -0.0660323 -0.0483880), wk = 0.0034014 k( 281) = ( 0.6344237 -0.0558633 -0.0409362), wk = 0.0034014 k( 282) = ( 0.6418917 -0.0456943 -0.0334845), wk = 0.0034014 k( 283) = ( 0.6493597 -0.0355253 -0.0260327), wk = 0.0034014 k( 284) = ( 0.6568277 -0.0253563 -0.0185809), wk = 0.0034014 k( 285) = ( 0.6642957 -0.0151873 -0.0111292), wk = 0.0034014 k( 286) = ( 0.6717636 -0.0050183 -0.0036774), wk = 0.0034014 k( 287) = ( 0.6792316 0.0051507 0.0037744), wk = 0.0034014 k( 288) = ( 0.6866996 0.0153197 0.0112261), wk = 0.0034014 k( 289) = ( 0.6941676 0.0254887 0.0186779), wk = 0.0034014 k( 290) = ( 0.7016356 0.0356577 0.0261297), wk = 0.0034014 k( 291) = ( 0.7091036 0.0458267 0.0335814), wk = 0.0034014 k( 292) = ( 0.7165715 0.0559957 0.0410332), wk = 0.0034014 k( 293) = ( 0.7240395 0.0661647 0.0484850), wk = 0.0034014 k( 294) = ( 0.7315075 0.0763337 0.0559367), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0034014 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0034014 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0034014 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0034014 k( 6) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0034014 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0034014 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0034014 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0034014 k( 10) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0034014 k( 11) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0034014 k( 12) = ( 0.1410256 -0.0000000 0.0000000), wk = 0.0034014 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0034014 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034014 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0034014 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0034014 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0034014 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0034014 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0034014 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0034014 k( 21) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0034014 k( 22) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0034014 k( 23) = ( 0.2820513 -0.0000000 0.0000000), wk = 0.0034014 k( 24) = ( 0.2948718 -0.0000000 0.0000000), wk = 0.0034014 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0034014 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0034014 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034014 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0034014 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0034014 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0034014 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0034014 k( 32) = ( 0.3974359 -0.0000000 0.0000000), wk = 0.0034014 k( 33) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0034014 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0034014 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0034014 k( 36) = ( 0.4487179 -0.0000000 0.0000000), wk = 0.0034014 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0034014 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0034014 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0034014 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034014 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034014 k( 42) = ( 0.5000000 0.0078968 -0.0078968), wk = 0.0034014 k( 43) = ( 0.5000000 0.0157937 -0.0157937), wk = 0.0034014 k( 44) = ( 0.5000000 0.0236905 -0.0236905), wk = 0.0034014 k( 45) = ( 0.5000000 0.0315874 -0.0315873), wk = 0.0034014 k( 46) = ( 0.5000000 0.0394842 -0.0394842), wk = 0.0034014 k( 47) = ( 0.5000000 0.0473810 -0.0473810), wk = 0.0034014 k( 48) = ( 0.5000000 0.0552779 -0.0552779), wk = 0.0034014 k( 49) = ( 0.5000000 0.0631747 -0.0631747), wk = 0.0034014 k( 50) = ( 0.5000000 0.0710715 -0.0710715), wk = 0.0034014 k( 51) = ( 0.5000000 0.0789684 -0.0789684), wk = 0.0034014 k( 52) = ( 0.5000000 0.0868652 -0.0868652), wk = 0.0034014 k( 53) = ( 0.5000000 0.0947621 -0.0947621), wk = 0.0034014 k( 54) = ( 0.5000000 0.1026589 -0.1026589), wk = 0.0034014 k( 55) = ( 0.5000000 0.1105557 -0.1105557), wk = 0.0034014 k( 56) = ( 0.5000000 0.1184526 -0.1184526), wk = 0.0034014 k( 57) = ( 0.5000000 0.1263494 -0.1263494), wk = 0.0034014 k( 58) = ( 0.5000000 0.1342463 -0.1342462), wk = 0.0034014 k( 59) = ( 0.5000000 0.1421431 -0.1421431), wk = 0.0034014 k( 60) = ( 0.5000000 0.1500399 -0.1500399), wk = 0.0034014 k( 61) = ( 0.5000000 0.1579368 -0.1579368), wk = 0.0034014 k( 62) = ( 0.5000000 0.1658336 -0.1658336), wk = 0.0034014 k( 63) = ( 0.5000000 0.1737304 -0.1737304), wk = 0.0034014 k( 64) = ( 0.5000000 0.1816273 -0.1816273), wk = 0.0034014 k( 65) = ( 0.5000000 0.1895241 -0.1895241), wk = 0.0034014 k( 66) = ( 0.5000000 0.1974209 -0.1974209), wk = 0.0034014 k( 67) = ( 0.5000000 0.2053178 -0.2053178), wk = 0.0034014 k( 68) = ( 0.5000000 0.2132146 -0.2132146), wk = 0.0034014 k( 69) = ( 0.5000000 0.2211115 -0.2211115), wk = 0.0034014 k( 70) = ( 0.5000000 0.2290083 -0.2290083), wk = 0.0034014 k( 71) = ( 0.5000000 0.2369051 -0.2369051), wk = 0.0034014 k( 72) = ( 0.5000000 0.2448020 -0.2448020), wk = 0.0034014 k( 73) = ( 0.5000000 0.2526988 -0.2526988), wk = 0.0034014 k( 74) = ( 0.5000000 0.2605957 -0.2605956), wk = 0.0034014 k( 75) = ( 0.5000000 0.2684925 -0.2684925), wk = 0.0034014 k( 76) = ( 0.7315075 0.5000000 0.2684925), wk = 0.0034014 k( 77) = ( 0.7237906 0.5000000 0.2762094), wk = 0.0034014 k( 78) = ( 0.7160737 0.5000000 0.2839263), wk = 0.0034014 k( 79) = ( 0.7083568 0.5000000 0.2916432), wk = 0.0034014 k( 80) = ( 0.7006398 0.5000000 0.2993602), wk = 0.0034014 k( 81) = ( 0.6929229 0.5000000 0.3070771), wk = 0.0034014 k( 82) = ( 0.6852060 0.5000000 0.3147940), wk = 0.0034014 k( 83) = ( 0.6774891 0.5000000 0.3225109), wk = 0.0034014 k( 84) = ( 0.6697722 0.5000000 0.3302278), wk = 0.0034014 k( 85) = ( 0.6620553 0.5000000 0.3379447), wk = 0.0034014 k( 86) = ( 0.6543383 0.5000000 0.3456617), wk = 0.0034014 k( 87) = ( 0.6466214 0.5000000 0.3533786), wk = 0.0034014 k( 88) = ( 0.6389045 0.5000000 0.3610955), wk = 0.0034014 k( 89) = ( 0.6311876 0.5000000 0.3688124), wk = 0.0034014 k( 90) = ( 0.6234707 0.5000000 0.3765293), wk = 0.0034014 k( 91) = ( 0.6157537 0.5000000 0.3842463), wk = 0.0034014 k( 92) = ( 0.6080368 0.5000000 0.3919632), wk = 0.0034014 k( 93) = ( 0.6003199 0.5000000 0.3996801), wk = 0.0034014 k( 94) = ( 0.5926030 0.5000000 0.4073970), wk = 0.0034014 k( 95) = ( 0.5848861 0.5000000 0.4151139), wk = 0.0034014 k( 96) = ( 0.5771692 0.5000000 0.4228308), wk = 0.0034014 k( 97) = ( 0.5694522 0.5000000 0.4305478), wk = 0.0034014 k( 98) = ( 0.5617353 0.5000000 0.4382647), wk = 0.0034014 k( 99) = ( 0.5540184 0.5000000 0.4459816), wk = 0.0034014 k( 100) = ( 0.5463015 0.5000000 0.4536985), wk = 0.0034014 k( 101) = ( 0.5385846 0.5000000 0.4614154), wk = 0.0034014 k( 102) = ( 0.5308677 0.5000000 0.4691323), wk = 0.0034014 k( 103) = ( 0.5231507 0.5000000 0.4768492), wk = 0.0034014 k( 104) = ( 0.5154338 0.5000000 0.4845662), wk = 0.0034014 k( 105) = ( 0.5077169 0.5000000 0.4922831), wk = 0.0034014 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 108) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0034014 k( 109) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0034014 k( 110) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0034014 k( 111) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0034014 k( 112) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0034014 k( 113) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0034014 k( 114) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0034014 k( 115) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0034014 k( 116) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0034014 k( 117) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0034014 k( 118) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0034014 k( 119) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0034014 k( 120) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0034014 k( 121) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0034014 k( 122) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0034014 k( 123) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0034014 k( 124) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0034014 k( 125) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0034014 k( 126) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0034014 k( 127) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0034014 k( 128) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0034014 k( 129) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0034014 k( 130) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0034014 k( 131) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0034014 k( 132) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0034014 k( 133) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0034014 k( 134) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0034014 k( 135) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0034014 k( 136) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0034014 k( 137) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0034014 k( 138) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0034014 k( 139) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0034014 k( 140) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0034014 k( 141) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0034014 k( 142) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0034014 k( 143) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0034014 k( 144) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0034014 k( 145) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0034014 k( 146) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0034014 k( 147) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0034014 k( 148) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0034014 k( 149) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0034014 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 152) = ( 0.0078418 0.0000000 -0.0078418), wk = 0.0034014 k( 153) = ( 0.0156835 0.0000000 -0.0156835), wk = 0.0034014 k( 154) = ( 0.0235253 0.0000000 -0.0235253), wk = 0.0034014 k( 155) = ( 0.0313670 0.0000000 -0.0313670), wk = 0.0034014 k( 156) = ( 0.0392088 -0.0000000 -0.0392088), wk = 0.0034014 k( 157) = ( 0.0470506 0.0000000 -0.0470506), wk = 0.0034014 k( 158) = ( 0.0548923 0.0000000 -0.0548923), wk = 0.0034014 k( 159) = ( 0.0627341 0.0000000 -0.0627341), wk = 0.0034014 k( 160) = ( 0.0705758 0.0000000 -0.0705758), wk = 0.0034014 k( 161) = ( 0.0784176 -0.0000000 -0.0784176), wk = 0.0034014 k( 162) = ( 0.0862594 -0.0000000 -0.0862594), wk = 0.0034014 k( 163) = ( 0.0941011 0.0000000 -0.0941011), wk = 0.0034014 k( 164) = ( 0.1019429 -0.0000000 -0.1019429), wk = 0.0034014 k( 165) = ( 0.1097846 0.0000000 -0.1097846), wk = 0.0034014 k( 166) = ( 0.1176264 0.0000000 -0.1176264), wk = 0.0034014 k( 167) = ( 0.1254682 0.0000000 -0.1254682), wk = 0.0034014 k( 168) = ( 0.1333099 -0.0000000 -0.1333099), wk = 0.0034014 k( 169) = ( 0.1411517 0.0000000 -0.1411517), wk = 0.0034014 k( 170) = ( 0.1489934 -0.0000000 -0.1489934), wk = 0.0034014 k( 171) = ( 0.1568352 -0.0000000 -0.1568352), wk = 0.0034014 k( 172) = ( 0.1646770 0.0000000 -0.1646770), wk = 0.0034014 k( 173) = ( 0.1725187 -0.0000000 -0.1725187), wk = 0.0034014 k( 174) = ( 0.1803605 -0.0000000 -0.1803605), wk = 0.0034014 k( 175) = ( 0.1882022 0.0000000 -0.1882022), wk = 0.0034014 k( 176) = ( 0.1960440 0.0000000 -0.1960440), wk = 0.0034014 k( 177) = ( 0.2038858 -0.0000000 -0.2038858), wk = 0.0034014 k( 178) = ( 0.2117275 0.0000000 -0.2117275), wk = 0.0034014 k( 179) = ( 0.2195693 0.0000000 -0.2195693), wk = 0.0034014 k( 180) = ( 0.2274110 0.0000000 -0.2274110), wk = 0.0034014 k( 181) = ( 0.2352528 0.0000000 -0.2352528), wk = 0.0034014 k( 182) = ( 0.2430946 0.0000000 -0.2430946), wk = 0.0034014 k( 183) = ( 0.2509363 0.0000000 -0.2509363), wk = 0.0034014 k( 184) = ( 0.2587781 0.0000000 -0.2587781), wk = 0.0034014 k( 185) = ( 0.2666198 -0.0000000 -0.2666198), wk = 0.0034014 k( 186) = ( 0.2744616 -0.0000000 -0.2744616), wk = 0.0034014 k( 187) = ( 0.2823034 0.0000000 -0.2823034), wk = 0.0034014 k( 188) = ( 0.2901451 -0.0000000 -0.2901451), wk = 0.0034014 k( 189) = ( 0.2979869 -0.0000000 -0.2979869), wk = 0.0034014 k( 190) = ( 0.3058286 0.0000000 -0.3058286), wk = 0.0034014 k( 191) = ( 0.3136704 -0.0000000 -0.3136704), wk = 0.0034014 k( 192) = ( 0.3215122 0.0000000 -0.3215122), wk = 0.0034014 k( 193) = ( 0.3293539 0.0000000 -0.3293539), wk = 0.0034014 k( 194) = ( 0.3371957 0.0000000 -0.3371957), wk = 0.0034014 k( 195) = ( 0.3450375 -0.0000000 -0.3450374), wk = 0.0034014 k( 196) = ( 0.3528792 -0.0000000 -0.3528792), wk = 0.0034014 k( 197) = ( 0.3607210 0.0000000 -0.3607210), wk = 0.0034014 k( 198) = ( 0.3685627 -0.0000000 -0.3685627), wk = 0.0034014 k( 199) = ( 0.3764045 -0.0000000 -0.3764045), wk = 0.0034014 k( 200) = ( 0.3842463 0.0000000 -0.3842462), wk = 0.0034014 k( 201) = ( 0.6157537 0.3842462 -0.0000000), wk = 0.0034014 k( 202) = ( 0.6080368 0.3919632 0.0000000), wk = 0.0034014 k( 203) = ( 0.6003199 0.3996801 0.0000000), wk = 0.0034014 k( 204) = ( 0.5926030 0.4073970 0.0000000), wk = 0.0034014 k( 205) = ( 0.5848861 0.4151139 -0.0000000), wk = 0.0034014 k( 206) = ( 0.5771692 0.4228308 0.0000000), wk = 0.0034014 k( 207) = ( 0.5694522 0.4305477 0.0000000), wk = 0.0034014 k( 208) = ( 0.5617353 0.4382647 0.0000000), wk = 0.0034014 k( 209) = ( 0.5540184 0.4459816 0.0000000), wk = 0.0034014 k( 210) = ( 0.5463015 0.4536985 0.0000000), wk = 0.0034014 k( 211) = ( 0.5385846 0.4614154 -0.0000000), wk = 0.0034014 k( 212) = ( 0.5308677 0.4691323 0.0000000), wk = 0.0034014 k( 213) = ( 0.5231507 0.4768493 0.0000000), wk = 0.0034014 k( 214) = ( 0.5154338 0.4845662 0.0000000), wk = 0.0034014 k( 215) = ( 0.5077169 0.4922831 -0.0000000), wk = 0.0034014 k( 216) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 217) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 218) = ( 0.5064308 0.5064308 0.0149163), wk = 0.0034014 k( 219) = ( 0.5128615 0.5128615 0.0298325), wk = 0.0034014 k( 220) = ( 0.5192923 0.5192923 0.0447488), wk = 0.0034014 k( 221) = ( 0.5257231 0.5257231 0.0596650), wk = 0.0034014 k( 222) = ( 0.5321538 0.5321538 0.0745812), wk = 0.0034014 k( 223) = ( 0.5385846 0.5385846 0.0894975), wk = 0.0034014 k( 224) = ( 0.5450154 0.5450154 0.1044138), wk = 0.0034014 k( 225) = ( 0.5514461 0.5514461 0.1193300), wk = 0.0034014 k( 226) = ( 0.5578769 0.5578769 0.1342463), wk = 0.0034014 k( 227) = ( 0.5643076 0.5643076 0.1491625), wk = 0.0034014 k( 228) = ( 0.5707384 0.5707384 0.1640787), wk = 0.0034014 k( 229) = ( 0.5771692 0.5771692 0.1789950), wk = 0.0034014 k( 230) = ( 0.5835999 0.5835999 0.1939112), wk = 0.0034014 k( 231) = ( 0.5900307 0.5900307 0.2088275), wk = 0.0034014 k( 232) = ( 0.5964615 0.5964615 0.2237437), wk = 0.0034014 k( 233) = ( 0.6028922 0.6028922 0.2386600), wk = 0.0034014 k( 234) = ( 0.6093230 0.6093230 0.2535762), wk = 0.0034014 k( 235) = ( 0.6157537 0.6157537 0.2684925), wk = 0.0034014 k( 236) = ( 0.6157537 0.6157537 0.2684925), wk = 0.0034014 k( 237) = ( 0.6113017 0.6113017 0.2773966), wk = 0.0034014 k( 238) = ( 0.6068496 0.6068496 0.2863008), wk = 0.0034014 k( 239) = ( 0.6023975 0.6023975 0.2952049), wk = 0.0034014 k( 240) = ( 0.5979455 0.5979455 0.3041090), wk = 0.0034014 k( 241) = ( 0.5934934 0.5934934 0.3130132), wk = 0.0034014 k( 242) = ( 0.5890414 0.5890414 0.3219173), wk = 0.0034014 k( 243) = ( 0.5845893 0.5845893 0.3308214), wk = 0.0034014 k( 244) = ( 0.5801372 0.5801372 0.3397256), wk = 0.0034014 k( 245) = ( 0.5756851 0.5756851 0.3486297), wk = 0.0034014 k( 246) = ( 0.5712331 0.5712331 0.3575338), wk = 0.0034014 k( 247) = ( 0.5667810 0.5667810 0.3664380), wk = 0.0034014 k( 248) = ( 0.5623289 0.5623289 0.3753421), wk = 0.0034014 k( 249) = ( 0.5578769 0.5578769 0.3842463), wk = 0.0034014 k( 250) = ( 0.5534248 0.5534248 0.3931504), wk = 0.0034014 k( 251) = ( 0.5489727 0.5489727 0.4020545), wk = 0.0034014 k( 252) = ( 0.5445207 0.5445207 0.4109586), wk = 0.0034014 k( 253) = ( 0.5400686 0.5400686 0.4198628), wk = 0.0034014 k( 254) = ( 0.5356165 0.5356165 0.4287669), wk = 0.0034014 k( 255) = ( 0.5311645 0.5311645 0.4376711), wk = 0.0034014 k( 256) = ( 0.5267124 0.5267124 0.4465752), wk = 0.0034014 k( 257) = ( 0.5222603 0.5222603 0.4554793), wk = 0.0034014 k( 258) = ( 0.5178083 0.5178083 0.4643835), wk = 0.0034014 k( 259) = ( 0.5133562 0.5133562 0.4732876), wk = 0.0034014 k( 260) = ( 0.5089041 0.5089041 0.4821917), wk = 0.0034014 k( 261) = ( 0.5044521 0.5044521 0.4910959), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 263) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034014 k( 264) = ( 0.5074680 0.0123950 0.0123950), wk = 0.0034014 k( 265) = ( 0.5149360 0.0247901 0.0247901), wk = 0.0034014 k( 266) = ( 0.5224039 0.0371851 0.0371851), wk = 0.0034014 k( 267) = ( 0.5298719 0.0495802 0.0495802), wk = 0.0034014 k( 268) = ( 0.5373399 0.0619752 0.0619752), wk = 0.0034014 k( 269) = ( 0.5448079 0.0743702 0.0743702), wk = 0.0034014 k( 270) = ( 0.5522759 0.0867653 0.0867653), wk = 0.0034014 k( 271) = ( 0.5597439 0.0991603 0.0991603), wk = 0.0034014 k( 272) = ( 0.5672119 0.1115554 0.1115554), wk = 0.0034014 k( 273) = ( 0.5746798 0.1239504 0.1239504), wk = 0.0034014 k( 274) = ( 0.5821478 0.1363454 0.1363454), wk = 0.0034014 k( 275) = ( 0.5896158 0.1487405 0.1487405), wk = 0.0034014 k( 276) = ( 0.5970838 0.1611355 0.1611355), wk = 0.0034014 k( 277) = ( 0.6045518 0.1735306 0.1735306), wk = 0.0034014 k( 278) = ( 0.6120198 0.1859256 0.1859256), wk = 0.0034014 k( 279) = ( 0.6194878 0.1983206 0.1983206), wk = 0.0034014 k( 280) = ( 0.6269557 0.2107157 0.2107157), wk = 0.0034014 k( 281) = ( 0.6344237 0.2231107 0.2231107), wk = 0.0034014 k( 282) = ( 0.6418917 0.2355058 0.2355058), wk = 0.0034014 k( 283) = ( 0.6493597 0.2479008 0.2479008), wk = 0.0034014 k( 284) = ( 0.6568277 0.2602958 0.2602958), wk = 0.0034014 k( 285) = ( 0.6642957 0.2726909 0.2726909), wk = 0.0034014 k( 286) = ( 0.6717636 0.2850859 0.2850859), wk = 0.0034014 k( 287) = ( 0.6792316 0.2974810 0.2974810), wk = 0.0034014 k( 288) = ( 0.6866996 0.3098760 0.3098760), wk = 0.0034014 k( 289) = ( 0.6941676 0.3222710 0.3222710), wk = 0.0034014 k( 290) = ( 0.7016356 0.3346661 0.3346661), wk = 0.0034014 k( 291) = ( 0.7091036 0.3470611 0.3470611), wk = 0.0034014 k( 292) = ( 0.7165715 0.3594562 0.3594562), wk = 0.0034014 k( 293) = ( 0.7240395 0.3718512 0.3718512), wk = 0.0034014 k( 294) = ( 0.7315075 0.3842462 0.3842462), wk = 0.0034014 Dense grid: 69343 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 33131 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 232, 64) NL pseudopotentials 0.29 Mb ( 116, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1926) G-vector shells 0.01 Mb ( 1541) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 232, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.32 Mb ( 164, 2, 64) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./Mg2SiNi3.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.2 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.8 secs Computing kpt #: 16 total cpu time spent up to now is 13.4 secs Computing kpt #: 17 total cpu time spent up to now is 14.0 secs Computing kpt #: 18 total cpu time spent up to now is 14.7 secs Computing kpt #: 19 total cpu time spent up to now is 15.3 secs Computing kpt #: 20 total cpu time spent up to now is 15.9 secs Computing kpt #: 21 total cpu time spent up to now is 16.6 secs Computing kpt #: 22 total cpu time spent up to now is 17.2 secs Computing kpt #: 23 total cpu time spent up to now is 17.8 secs Computing kpt #: 24 total cpu time spent up to now is 18.5 secs Computing kpt #: 25 total cpu time spent up to now is 19.2 secs Computing kpt #: 26 total cpu time spent up to now is 19.9 secs Computing kpt #: 27 total cpu time spent up to now is 20.5 secs Computing kpt #: 28 total cpu time spent up to now is 21.2 secs Computing kpt #: 29 total cpu time spent up to now is 21.8 secs Computing kpt #: 30 total cpu time spent up to now is 22.4 secs Computing kpt #: 31 total cpu time spent up to now is 23.0 secs Computing kpt #: 32 total cpu time spent up to now is 23.6 secs Computing kpt #: 33 total cpu time spent up to now is 24.2 secs Computing kpt #: 34 total cpu time spent up to now is 24.8 secs Computing kpt #: 35 total cpu time spent up to now is 25.4 secs Computing kpt #: 36 total cpu time spent up to now is 26.0 secs Computing kpt #: 37 total cpu time spent up to now is 26.6 secs Computing kpt #: 38 total cpu time spent up to now is 27.2 secs Computing kpt #: 39 total cpu time spent up to now is 27.8 secs Computing kpt #: 40 total cpu time spent up to now is 28.3 secs Computing kpt #: 41 total cpu time spent up to now is 28.9 secs Computing kpt #: 42 total cpu time spent up to now is 29.5 secs Computing kpt #: 43 total cpu time spent up to now is 30.1 secs Computing kpt #: 44 total cpu time spent up to now is 30.7 secs Computing kpt #: 45 total cpu time spent up to now is 31.3 secs Computing kpt #: 46 total cpu time spent up to now is 32.0 secs Computing kpt #: 47 total cpu time spent up to now is 32.6 secs Computing kpt #: 48 total cpu time spent up to now is 33.2 secs Computing kpt #: 49 total cpu time spent up to now is 33.9 secs Computing kpt #: 50 total cpu time spent up to now is 34.6 secs Computing kpt #: 51 total cpu time spent up to now is 35.3 secs Computing kpt #: 52 total cpu time spent up to now is 36.0 secs Computing kpt #: 53 total cpu time spent up to now is 36.6 secs Computing kpt #: 54 total cpu time spent up to now is 37.3 secs Computing kpt #: 55 total cpu time spent up to now is 38.0 secs Computing kpt #: 56 total cpu time spent up to now is 38.6 secs Computing kpt #: 57 total cpu time spent up to now is 39.3 secs Computing kpt #: 58 total cpu time spent up to now is 40.0 secs Computing kpt #: 59 total cpu time spent up to now is 40.7 secs Computing kpt #: 60 total cpu time spent up to now is 41.4 secs Computing kpt #: 61 total cpu time spent up to now is 42.1 secs Computing kpt #: 62 total cpu time spent up to now is 42.8 secs Computing kpt #: 63 total cpu time spent up to now is 43.5 secs Computing kpt #: 64 total cpu time spent up to now is 44.2 secs Computing kpt #: 65 total cpu time spent up to now is 44.9 secs Computing kpt #: 66 total cpu time spent up to now is 45.6 secs Computing kpt #: 67 total cpu time spent up to now is 46.3 secs Computing kpt #: 68 total cpu time spent up to now is 46.9 secs Computing kpt #: 69 total cpu time spent up to now is 47.6 secs Computing kpt #: 70 total cpu time spent up to now is 48.3 secs Computing kpt #: 71 total cpu time spent up to now is 49.0 secs Computing kpt #: 72 total cpu time spent up to now is 49.6 secs Computing kpt #: 73 total cpu time spent up to now is 50.3 secs Computing kpt #: 74 total cpu time spent up to now is 51.0 secs Computing kpt #: 75 total cpu time spent up to now is 51.6 secs Computing kpt #: 76 total cpu time spent up to now is 52.2 secs Computing kpt #: 77 total cpu time spent up to now is 52.9 secs Computing kpt #: 78 total cpu time spent up to now is 53.5 secs Computing kpt #: 79 total cpu time spent up to now is 54.1 secs Computing kpt #: 80 total cpu time spent up to now is 54.7 secs Computing kpt #: 81 total cpu time spent up to now is 55.4 secs Computing kpt #: 82 total cpu time spent up to now is 56.0 secs Computing kpt #: 83 total cpu time spent up to now is 56.6 secs Computing kpt #: 84 total cpu time spent up to now is 57.3 secs Computing kpt #: 85 total cpu time spent up to now is 57.9 secs Computing kpt #: 86 total cpu time spent up to now is 58.5 secs Computing kpt #: 87 total cpu time spent up to now is 59.2 secs Computing kpt #: 88 total cpu time spent up to now is 59.8 secs Computing kpt #: 89 total cpu time spent up to now is 60.4 secs Computing kpt #: 90 total cpu time spent up to now is 61.1 secs Computing kpt #: 91 total cpu time spent up to now is 61.8 secs Computing kpt #: 92 total cpu time spent up to now is 62.5 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.8 secs Computing kpt #: 95 total cpu time spent up to now is 64.4 secs Computing kpt #: 96 total cpu time spent up to now is 65.0 secs Computing kpt #: 97 total cpu time spent up to now is 65.7 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 67.0 secs Computing kpt #: 100 total cpu time spent up to now is 67.7 secs Computing kpt #: 101 total cpu time spent up to now is 68.3 secs Computing kpt #: 102 total cpu time spent up to now is 69.0 secs Computing kpt #: 103 total cpu time spent up to now is 69.8 secs Computing kpt #: 104 total cpu time spent up to now is 70.5 secs Computing kpt #: 105 total cpu time spent up to now is 71.3 secs Computing kpt #: 106 total cpu time spent up to now is 72.3 secs Computing kpt #: 107 total cpu time spent up to now is 73.4 secs Computing kpt #: 108 total cpu time spent up to now is 74.4 secs Computing kpt #: 109 total cpu time spent up to now is 75.2 secs Computing kpt #: 110 total cpu time spent up to now is 76.0 secs Computing kpt #: 111 total cpu time spent up to now is 76.8 secs Computing kpt #: 112 total cpu time spent up to now is 77.6 secs Computing kpt #: 113 total cpu time spent up to now is 78.4 secs Computing kpt #: 114 total cpu time spent up to now is 79.1 secs Computing kpt #: 115 total cpu time spent up to now is 79.9 secs Computing kpt #: 116 total cpu time spent up to now is 80.7 secs Computing kpt #: 117 total cpu time spent up to now is 81.4 secs Computing kpt #: 118 total cpu time spent up to now is 82.1 secs Computing kpt #: 119 total cpu time spent up to now is 82.8 secs Computing kpt #: 120 total cpu time spent up to now is 83.5 secs Computing kpt #: 121 total cpu time spent up to now is 84.2 secs Computing kpt #: 122 total cpu time spent up to now is 84.9 secs Computing kpt #: 123 total cpu time spent up to now is 85.6 secs Computing kpt #: 124 total cpu time spent up to now is 86.2 secs Computing kpt #: 125 total cpu time spent up to now is 86.9 secs Computing kpt #: 126 total cpu time spent up to now is 87.6 secs Computing kpt #: 127 total cpu time spent up to now is 88.3 secs Computing kpt #: 128 total cpu time spent up to now is 88.9 secs Computing kpt #: 129 total cpu time spent up to now is 89.6 secs Computing kpt #: 130 total cpu time spent up to now is 90.2 secs Computing kpt #: 131 total cpu time spent up to now is 90.9 secs Computing kpt #: 132 total cpu time spent up to now is 91.6 secs Computing kpt #: 133 total cpu time spent up to now is 92.3 secs Computing kpt #: 134 total cpu time spent up to now is 93.0 secs Computing kpt #: 135 total cpu time spent up to now is 94.3 secs Computing kpt #: 136 total cpu time spent up to now is 95.6 secs Computing kpt #: 137 total cpu time spent up to now is 96.3 secs Computing kpt #: 138 total cpu time spent up to now is 97.0 secs Computing kpt #: 139 total cpu time spent up to now is 97.7 secs Computing kpt #: 140 total cpu time spent up to now is 98.4 secs Computing kpt #: 141 total cpu time spent up to now is 99.1 secs Computing kpt #: 142 total cpu time spent up to now is 99.8 secs Computing kpt #: 143 total cpu time spent up to now is 100.4 secs Computing kpt #: 144 total cpu time spent up to now is 101.1 secs Computing kpt #: 145 total cpu time spent up to now is 101.8 secs Computing kpt #: 146 total cpu time spent up to now is 102.5 secs Computing kpt #: 147 total cpu time spent up to now is 103.2 secs Computing kpt #: 148 total cpu time spent up to now is 103.8 secs Computing kpt #: 149 total cpu time spent up to now is 104.5 secs Computing kpt #: 150 total cpu time spent up to now is 105.2 secs Computing kpt #: 151 total cpu time spent up to now is 105.8 secs Computing kpt #: 152 total cpu time spent up to now is 106.5 secs Computing kpt #: 153 total cpu time spent up to now is 107.2 secs Computing kpt #: 154 total cpu time spent up to now is 107.8 secs Computing kpt #: 155 total cpu time spent up to now is 108.5 secs Computing kpt #: 156 total cpu time spent up to now is 109.1 secs Computing kpt #: 157 total cpu time spent up to now is 109.8 secs Computing kpt #: 158 total cpu time spent up to now is 110.4 secs Computing kpt #: 159 total cpu time spent up to now is 111.0 secs Computing kpt #: 160 total cpu time spent up to now is 111.6 secs Computing kpt #: 161 total cpu time spent up to now is 112.3 secs Computing kpt #: 162 total cpu time spent up to now is 112.9 secs Computing kpt #: 163 total cpu time spent up to now is 113.5 secs Computing kpt #: 164 total cpu time spent up to now is 114.2 secs Computing kpt #: 165 total cpu time spent up to now is 114.8 secs Computing kpt #: 166 total cpu time spent up to now is 115.5 secs Computing kpt #: 167 total cpu time spent up to now is 116.1 secs Computing kpt #: 168 total cpu time spent up to now is 116.8 secs Computing kpt #: 169 total cpu time spent up to now is 117.4 secs Computing kpt #: 170 total cpu time spent up to now is 118.1 secs Computing kpt #: 171 total cpu time spent up to now is 118.7 secs Computing kpt #: 172 total cpu time spent up to now is 119.4 secs Computing kpt #: 173 total cpu time spent up to now is 120.1 secs Computing kpt #: 174 total cpu time spent up to now is 120.7 secs Computing kpt #: 175 total cpu time spent up to now is 121.5 secs Computing kpt #: 176 total cpu time spent up to now is 122.1 secs Computing kpt #: 177 total cpu time spent up to now is 122.8 secs Computing kpt #: 178 total cpu time spent up to now is 123.5 secs Computing kpt #: 179 total cpu time spent up to now is 124.1 secs Computing kpt #: 180 total cpu time spent up to now is 124.8 secs Computing kpt #: 181 total cpu time spent up to now is 125.5 secs Computing kpt #: 182 total cpu time spent up to now is 126.1 secs Computing kpt #: 183 total cpu time spent up to now is 126.8 secs Computing kpt #: 184 total cpu time spent up to now is 127.4 secs Computing kpt #: 185 total cpu time spent up to now is 128.1 secs Computing kpt #: 186 total cpu time spent up to now is 128.7 secs Computing kpt #: 187 total cpu time spent up to now is 129.3 secs Computing kpt #: 188 total cpu time spent up to now is 129.9 secs Computing kpt #: 189 total cpu time spent up to now is 130.6 secs Computing kpt #: 190 total cpu time spent up to now is 131.2 secs Computing kpt #: 191 total cpu time spent up to now is 131.8 secs Computing kpt #: 192 total cpu time spent up to now is 132.4 secs Computing kpt #: 193 total cpu time spent up to now is 133.0 secs Computing kpt #: 194 total cpu time spent up to now is 133.6 secs Computing kpt #: 195 total cpu time spent up to now is 134.2 secs Computing kpt #: 196 total cpu time spent up to now is 135.1 secs Computing kpt #: 197 total cpu time spent up to now is 135.8 secs Computing kpt #: 198 total cpu time spent up to now is 136.4 secs Computing kpt #: 199 total cpu time spent up to now is 137.0 secs Computing kpt #: 200 total cpu time spent up to now is 137.6 secs Computing kpt #: 201 total cpu time spent up to now is 138.2 secs Computing kpt #: 202 total cpu time spent up to now is 138.8 secs Computing kpt #: 203 total cpu time spent up to now is 139.4 secs Computing kpt #: 204 total cpu time spent up to now is 140.0 secs Computing kpt #: 205 total cpu time spent up to now is 140.6 secs Computing kpt #: 206 total cpu time spent up to now is 141.2 secs Computing kpt #: 207 total cpu time spent up to now is 141.8 secs Computing kpt #: 208 total cpu time spent up to now is 142.5 secs Computing kpt #: 209 total cpu time spent up to now is 143.1 secs Computing kpt #: 210 total cpu time spent up to now is 143.7 secs Computing kpt #: 211 total cpu time spent up to now is 144.4 secs Computing kpt #: 212 total cpu time spent up to now is 145.1 secs Computing kpt #: 213 total cpu time spent up to now is 145.8 secs Computing kpt #: 214 total cpu time spent up to now is 146.5 secs Computing kpt #: 215 total cpu time spent up to now is 147.1 secs Computing kpt #: 216 total cpu time spent up to now is 147.8 secs Computing kpt #: 217 total cpu time spent up to now is 148.5 secs Computing kpt #: 218 total cpu time spent up to now is 149.2 secs Computing kpt #: 219 total cpu time spent up to now is 149.9 secs Computing kpt #: 220 total cpu time spent up to now is 150.6 secs Computing kpt #: 221 total cpu time spent up to now is 151.3 secs Computing kpt #: 222 total cpu time spent up to now is 152.0 secs Computing kpt #: 223 total cpu time spent up to now is 152.7 secs Computing kpt #: 224 total cpu time spent up to now is 153.4 secs Computing kpt #: 225 total cpu time spent up to now is 154.1 secs Computing kpt #: 226 total cpu time spent up to now is 154.8 secs Computing kpt #: 227 total cpu time spent up to now is 155.5 secs Computing kpt #: 228 total cpu time spent up to now is 156.3 secs Computing kpt #: 229 total cpu time spent up to now is 157.0 secs Computing kpt #: 230 total cpu time spent up to now is 157.7 secs Computing kpt #: 231 total cpu time spent up to now is 158.4 secs Computing kpt #: 232 total cpu time spent up to now is 159.1 secs Computing kpt #: 233 total cpu time spent up to now is 159.8 secs Computing kpt #: 234 total cpu time spent up to now is 160.5 secs Computing kpt #: 235 total cpu time spent up to now is 161.2 secs Computing kpt #: 236 total cpu time spent up to now is 161.9 secs Computing kpt #: 237 total cpu time spent up to now is 162.6 secs Computing kpt #: 238 total cpu time spent up to now is 163.3 secs Computing kpt #: 239 total cpu time spent up to now is 164.0 secs Computing kpt #: 240 total cpu time spent up to now is 164.7 secs Computing kpt #: 241 total cpu time spent up to now is 165.4 secs Computing kpt #: 242 total cpu time spent up to now is 166.1 secs Computing kpt #: 243 total cpu time spent up to now is 166.8 secs Computing kpt #: 244 total cpu time spent up to now is 167.5 secs Computing kpt #: 245 total cpu time spent up to now is 168.2 secs Computing kpt #: 246 total cpu time spent up to now is 168.9 secs Computing kpt #: 247 total cpu time spent up to now is 169.5 secs Computing kpt #: 248 total cpu time spent up to now is 170.1 secs Computing kpt #: 249 total cpu time spent up to now is 170.7 secs Computing kpt #: 250 total cpu time spent up to now is 171.3 secs Computing kpt #: 251 total cpu time spent up to now is 171.9 secs Computing kpt #: 252 total cpu time spent up to now is 172.5 secs Computing kpt #: 253 total cpu time spent up to now is 173.2 secs Computing kpt #: 254 total cpu time spent up to now is 173.8 secs Computing kpt #: 255 total cpu time spent up to now is 174.4 secs Computing kpt #: 256 total cpu time spent up to now is 175.0 secs Computing kpt #: 257 total cpu time spent up to now is 175.7 secs Computing kpt #: 258 total cpu time spent up to now is 176.4 secs Computing kpt #: 259 total cpu time spent up to now is 177.1 secs Computing kpt #: 260 total cpu time spent up to now is 177.9 secs Computing kpt #: 261 total cpu time spent up to now is 178.7 secs Computing kpt #: 262 total cpu time spent up to now is 179.5 secs Computing kpt #: 263 total cpu time spent up to now is 180.1 secs Computing kpt #: 264 total cpu time spent up to now is 180.7 secs Computing kpt #: 265 total cpu time spent up to now is 181.2 secs Computing kpt #: 266 total cpu time spent up to now is 181.8 secs Computing kpt #: 267 total cpu time spent up to now is 182.4 secs Computing kpt #: 268 total cpu time spent up to now is 183.0 secs Computing kpt #: 269 total cpu time spent up to now is 183.7 secs Computing kpt #: 270 total cpu time spent up to now is 184.3 secs Computing kpt #: 271 total cpu time spent up to now is 185.0 secs Computing kpt #: 272 total cpu time spent up to now is 185.6 secs Computing kpt #: 273 total cpu time spent up to now is 186.3 secs Computing kpt #: 274 total cpu time spent up to now is 187.0 secs Computing kpt #: 275 total cpu time spent up to now is 187.7 secs Computing kpt #: 276 total cpu time spent up to now is 188.4 secs Computing kpt #: 277 total cpu time spent up to now is 189.1 secs Computing kpt #: 278 total cpu time spent up to now is 189.7 secs Computing kpt #: 279 total cpu time spent up to now is 190.4 secs Computing kpt #: 280 total cpu time spent up to now is 191.0 secs Computing kpt #: 281 total cpu time spent up to now is 191.7 secs Computing kpt #: 282 total cpu time spent up to now is 192.4 secs Computing kpt #: 283 total cpu time spent up to now is 193.0 secs Computing kpt #: 284 total cpu time spent up to now is 193.7 secs Computing kpt #: 285 total cpu time spent up to now is 194.4 secs Computing kpt #: 286 total cpu time spent up to now is 195.1 secs Computing kpt #: 287 total cpu time spent up to now is 195.8 secs Computing kpt #: 288 total cpu time spent up to now is 196.5 secs Computing kpt #: 289 total cpu time spent up to now is 197.2 secs Computing kpt #: 290 total cpu time spent up to now is 197.8 secs Computing kpt #: 291 total cpu time spent up to now is 198.5 secs Computing kpt #: 292 total cpu time spent up to now is 199.2 secs Computing kpt #: 293 total cpu time spent up to now is 199.9 secs Computing kpt #: 294 total cpu time spent up to now is 200.6 secs ethr = 1.85E-08, avg # of iterations = 17.4 total cpu time spent up to now is 200.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0625 0.0625 5.7705 5.7705 6.8890 6.8890 7.6314 7.6314 7.6316 7.6316 7.6981 7.6981 7.7830 7.7830 7.8389 7.8389 8.3426 8.3426 8.4069 8.4069 8.4076 8.4076 8.7874 8.7874 8.7895 8.7895 9.5493 9.5493 9.5642 9.5642 9.5652 9.5652 9.7323 9.7323 9.7385 9.7385 10.5538 10.5538 11.4706 11.4706 12.5522 12.5522 13.1764 13.1764 13.2076 13.2076 13.4846 13.4846 k = 0.0128-0.0061-0.0045 ( 4164 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0637 0.0637 5.7696 5.7696 6.8893 6.8893 7.6297 7.6297 7.6319 7.6319 7.6979 7.6979 7.7806 7.7806 7.8366 7.8366 8.3384 8.3384 8.4018 8.4018 8.4092 8.4092 8.7886 8.7886 8.7988 8.7988 9.5495 9.5495 9.5643 9.5643 9.5656 9.5656 9.7319 9.7319 9.7383 9.7383 10.5526 10.5526 11.4669 11.4669 12.5547 12.5547 13.1691 13.1691 13.2010 13.2010 13.4916 13.4916 k = 0.0256-0.0123-0.0090 ( 4163 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0674 0.0674 5.7670 5.7670 6.8904 6.8904 7.6235 7.6235 7.6334 7.6334 7.6974 7.6974 7.7734 7.7734 7.8301 7.8301 8.3233 8.3233 8.3910 8.3910 8.4147 8.4147 8.7890 8.7890 8.8262 8.8262 9.5503 9.5503 9.5643 9.5643 9.5671 9.5671 9.7302 9.7302 9.7382 9.7382 10.5492 10.5492 11.4559 11.4559 12.5623 12.5623 13.1460 13.1460 13.1871 13.1871 13.5005 13.5005 k = 0.0385-0.0184-0.0135 ( 4165 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6229 -31.6229 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0736 0.0736 5.7626 5.7626 6.8921 6.8921 7.6118 7.6118 7.6357 7.6357 7.6964 7.6964 7.7622 7.7622 7.8201 7.8201 8.2961 8.2961 8.3832 8.3832 8.4236 8.4236 8.7896 8.7896 8.8646 8.8646 9.5509 9.5509 9.5644 9.5644 9.5698 9.5698 9.7268 9.7268 9.7388 9.7388 10.5434 10.5434 11.4384 11.4384 12.5747 12.5747 13.1108 13.1108 13.1702 13.1702 13.5084 13.5084 k = 0.0513-0.0245-0.0180 ( 4165 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6229 -31.6229 -31.5989 -31.5989 -31.3431 -31.3431 -31.3271 -31.3271 -31.3154 -31.3154 -31.3063 -31.3063 0.0821 0.0821 5.7563 5.7563 6.8945 6.8945 7.5926 7.5926 7.6387 7.6387 7.6949 7.6949 7.7482 7.7482 7.8080 7.8080 8.2618 8.2618 8.3793 8.3793 8.4354 8.4354 8.7904 8.7904 8.9081 8.9081 9.5509 9.5509 9.5648 9.5648 9.5738 9.5738 9.7217 9.7217 9.7401 9.7401 10.5353 10.5353 11.4158 11.4158 12.5916 12.5916 13.0698 13.0698 13.1498 13.1498 13.5180 13.5180 k = 0.0641-0.0306-0.0224 ( 4163 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6229 -31.6229 -31.5989 -31.5989 -31.3431 -31.3431 -31.3270 -31.3270 -31.3154 -31.3154 -31.3063 -31.3063 0.0931 0.0931 5.7479 5.7479 6.8976 6.8976 7.5637 7.5637 7.6420 7.6420 7.6926 7.6926 7.7336 7.7336 7.7952 7.7952 8.2263 8.2263 8.3775 8.3775 8.4497 8.4497 8.7915 8.7915 8.9528 8.9528 9.5498 9.5498 9.5657 9.5657 9.5790 9.5790 9.7150 9.7150 9.7421 9.7421 10.5251 10.5251 11.3894 11.3894 12.6123 12.6123 13.0264 13.0264 13.1255 13.1255 13.5298 13.5298 k = 0.0769-0.0368-0.0269 ( 4161 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6228 -31.6228 -31.5990 -31.5990 -31.3431 -31.3431 -31.3270 -31.3270 -31.3154 -31.3154 -31.3063 -31.3063 0.1065 0.1065 5.7370 5.7370 6.9013 6.9013 7.5237 7.5237 7.6448 7.6448 7.6894 7.6894 7.7206 7.7206 7.7831 7.7831 8.1929 8.1929 8.3766 8.3766 8.4659 8.4659 8.7928 8.7928 8.9964 8.9964 9.5472 9.5472 9.5669 9.5669 9.5851 9.5851 9.7071 9.7071 9.7447 9.7447 10.5127 10.5127 11.3607 11.3607 12.6357 12.6357 12.9830 12.9830 13.0977 13.0977 13.5442 13.5442 k = 0.0897-0.0429-0.0314 ( 4159 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6228 -31.6228 -31.5991 -31.5991 -31.3430 -31.3430 -31.3269 -31.3269 -31.3155 -31.3155 -31.3063 -31.3063 0.1223 0.1223 5.7235 5.7235 6.9056 6.9056 7.4732 7.4732 7.6454 7.6454 7.6852 7.6852 7.7111 7.7111 7.7728 7.7728 8.1630 8.1630 8.3761 8.3761 8.4835 8.4835 8.7943 8.7943 9.0373 9.0373 9.5433 9.5433 9.5679 9.5679 9.5916 9.5916 9.6986 9.6986 9.7480 9.7480 10.4983 10.4983 11.3312 11.3312 12.6594 12.6594 12.9425 12.9425 13.0669 13.0669 13.5612 13.5612 k = 0.1026-0.0490-0.0359 ( 4159 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6227 -31.6227 -31.5991 -31.5991 -31.3430 -31.3430 -31.3269 -31.3269 -31.3155 -31.3155 -31.3064 -31.3064 0.1405 0.1405 5.7070 5.7070 6.9104 6.9104 7.4144 7.4144 7.6412 7.6412 7.6806 7.6806 7.7064 7.7064 7.7651 7.7651 8.1368 8.1368 8.3759 8.3759 8.5018 8.5018 8.7961 8.7961 9.0745 9.0745 9.5378 9.5378 9.5684 9.5684 9.5978 9.5978 9.6903 9.6903 9.7521 9.7521 10.4820 10.4820 11.3021 11.3021 12.6785 12.6785 12.9102 12.9102 13.0338 13.0338 13.5809 13.5809 k = 0.1154-0.0551-0.0404 ( 4154 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6226 -31.6226 -31.5992 -31.5992 -31.3430 -31.3430 -31.3268 -31.3268 -31.3156 -31.3156 -31.3064 -31.3064 0.1609 0.1609 5.6870 5.6870 6.9158 6.9158 7.3499 7.3499 7.6309 7.6309 7.6755 7.6755 7.7074 7.7074 7.7603 7.7603 8.1142 8.1142 8.3758 8.3758 8.5207 8.5207 8.7981 8.7981 9.1074 9.1074 9.5303 9.5303 9.5676 9.5676 9.6030 9.6030 9.6840 9.6840 9.7569 9.7569 10.4639 10.4639 11.2743 11.2743 12.6835 12.6835 12.8956 12.8956 12.9994 12.9994 13.6034 13.6034 k = 0.1282-0.0613-0.0449 ( 4151 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6225 -31.6225 -31.5993 -31.5993 -31.3429 -31.3429 -31.3268 -31.3268 -31.3156 -31.3156 -31.3064 -31.3064 0.1837 0.1837 5.6631 5.6631 6.9216 6.9216 7.2824 7.2824 7.6156 7.6156 7.6696 7.6696 7.7129 7.7129 7.7583 7.7583 8.0946 8.0946 8.3756 8.3756 8.5395 8.5395 8.8003 8.8003 9.1355 9.1355 9.5201 9.5201 9.5651 9.5651 9.6060 9.6060 9.6815 9.6815 9.7624 9.7624 10.4442 10.4442 11.2487 11.2487 12.6669 12.6669 12.9055 12.9055 12.9652 12.9652 13.6289 13.6289 k = 0.1410-0.0674-0.0494 ( 4145 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6224 -31.6224 -31.5995 -31.5995 -31.3429 -31.3429 -31.3267 -31.3267 -31.3157 -31.3157 -31.3064 -31.3064 0.2086 0.2086 5.6348 5.6348 6.9276 6.9276 7.2141 7.2141 7.5973 7.5973 7.6626 7.6626 7.7212 7.7212 7.7589 7.7589 8.0778 8.0778 8.3755 8.3755 8.5581 8.5581 8.8028 8.8028 9.1585 9.1585 9.5063 9.5063 9.5606 9.5606 9.6065 9.6065 9.6845 9.6845 9.7687 9.7687 10.4232 10.4232 11.2257 11.2257 12.6324 12.6324 12.9165 12.9165 12.9517 12.9517 13.6573 13.6573 k = 0.1538-0.0735-0.0539 ( 4143 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6223 -31.6223 -31.5996 -31.5996 -31.3428 -31.3428 -31.3266 -31.3266 -31.3158 -31.3158 -31.3064 -31.3064 0.2357 0.2357 5.6016 5.6016 6.9336 6.9336 7.1473 7.1473 7.5772 7.5772 7.6545 7.6545 7.7307 7.7307 7.7624 7.7624 8.0633 8.0633 8.3753 8.3753 8.5761 8.5761 8.8055 8.8055 9.1763 9.1763 9.4879 9.4879 9.5540 9.5540 9.6056 9.6056 9.6927 9.6927 9.7757 9.7757 10.4010 10.4010 11.2056 11.2056 12.5882 12.5882 12.8860 12.8860 12.9940 12.9940 13.6888 13.6888 k = 0.1667-0.0796-0.0584 ( 4139 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6222 -31.6222 -31.5997 -31.5997 -31.3428 -31.3428 -31.3265 -31.3265 -31.3159 -31.3159 -31.3064 -31.3064 0.2649 0.2649 5.5631 5.5631 6.9389 6.9389 7.0842 7.0842 7.5562 7.5562 7.6454 7.6454 7.7397 7.7397 7.7695 7.7695 8.0511 8.0511 8.3751 8.3751 8.5933 8.5933 8.8084 8.8084 9.1887 9.1887 9.4645 9.4645 9.5461 9.5461 9.6041 9.6041 9.7050 9.7050 9.7833 9.7833 10.3782 10.3782 11.1885 11.1885 12.5395 12.5395 12.8507 12.8507 13.0508 13.0508 13.7235 13.7235 k = 0.1795-0.0858-0.0628 ( 4136 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6221 -31.6221 -31.5998 -31.5998 -31.3427 -31.3427 -31.3264 -31.3264 -31.3160 -31.3160 -31.3065 -31.3065 0.2962 0.2962 5.5189 5.5189 6.9413 6.9413 7.0283 7.0283 7.5348 7.5348 7.6351 7.6351 7.7473 7.7473 7.7806 7.7806 8.0409 8.0409 8.3748 8.3748 8.6096 8.6096 8.8115 8.8115 9.1959 9.1959 9.4364 9.4364 9.5373 9.5373 9.6026 9.6026 9.7201 9.7201 9.7915 9.7915 10.3550 10.3550 11.1742 11.1742 12.4889 12.4889 12.8156 12.8156 13.1151 13.1151 13.7615 13.7615 k = 0.1923-0.0919-0.0673 ( 4134 PWs) bands (ev): -64.6713 -64.6713 -64.6644 -64.6644 -31.6220 -31.6220 -31.6000 -31.6000 -31.3427 -31.3427 -31.3263 -31.3263 -31.3161 -31.3161 -31.3065 -31.3065 0.3294 0.3294 5.4687 5.4687 6.9305 6.9305 6.9905 6.9905 7.5133 7.5133 7.6238 7.6238 7.7537 7.7537 7.7952 7.7952 8.0328 8.0328 8.3745 8.3745 8.6248 8.6248 8.8148 8.8148 9.1979 9.1979 9.4043 9.4043 9.5277 9.5277 9.6012 9.6012 9.7371 9.7371 9.8003 9.8003 10.3318 10.3318 11.1627 11.1627 12.4376 12.4376 12.7814 12.7814 13.1852 13.1852 13.8028 13.8028 k = 0.2051-0.0980-0.0718 ( 4136 PWs) bands (ev): -64.6713 -64.6713 -64.6644 -64.6644 -31.6219 -31.6219 -31.6001 -31.6001 -31.3427 -31.3427 -31.3262 -31.3262 -31.3162 -31.3162 -31.3065 -31.3065 0.3645 0.3645 5.4126 5.4126 6.8965 6.8965 6.9818 6.9818 7.4920 7.4920 7.6115 7.6115 7.7596 7.7596 7.8122 7.8122 8.0266 8.0266 8.3741 8.3741 8.6389 8.6389 8.8183 8.8183 9.1951 9.1951 9.3690 9.3690 9.5172 9.5172 9.5997 9.5997 9.7551 9.7551 9.8098 9.8098 10.3092 10.3092 11.1536 11.1536 12.3865 12.3865 12.7484 12.7484 13.2601 13.2601 13.8477 13.8477 k = 0.2179-0.1041-0.0763 ( 4136 PWs) bands (ev): -64.6712 -64.6712 -64.6644 -64.6644 -31.6217 -31.6217 -31.6003 -31.6003 -31.3426 -31.3426 -31.3261 -31.3261 -31.3163 -31.3163 -31.3065 -31.3065 0.4013 0.4013 5.3507 5.3507 6.8566 6.8566 6.9851 6.9851 7.4711 7.4711 7.5981 7.5981 7.7655 7.7655 7.8312 7.8312 8.0223 8.0223 8.3737 8.3737 8.6518 8.6518 8.8218 8.8218 9.1876 9.1876 9.3312 9.3312 9.5056 9.5056 9.5982 9.5982 9.7727 9.7727 9.8207 9.8207 10.2877 10.2877 11.1465 11.1465 12.3361 12.3361 12.7168 12.7168 13.3391 13.3391 13.8962 13.8962 k = 0.2308-0.1103-0.0808 ( 4140 PWs) bands (ev): -64.6712 -64.6712 -64.6645 -64.6645 -31.6216 -31.6216 -31.6005 -31.6005 -31.3426 -31.3426 -31.3259 -31.3259 -31.3165 -31.3165 -31.3065 -31.3065 0.4398 0.4398 5.2834 5.2834 6.8198 6.8198 6.9912 6.9912 7.4507 7.4507 7.5839 7.5839 7.7715 7.7715 7.8517 7.8517 8.0200 8.0200 8.3734 8.3734 8.6635 8.6635 8.8255 8.8255 9.1757 9.1757 9.2918 9.2918 9.4927 9.4927 9.5966 9.5966 9.7879 9.7879 9.8341 9.8341 10.2679 10.2679 11.1413 11.1413 12.2868 12.2868 12.6868 12.6868 13.4218 13.4218 13.9483 13.9483 k = 0.2436-0.1164-0.0853 ( 4143 PWs) bands (ev): -64.6712 -64.6712 -64.6645 -64.6645 -31.6215 -31.6215 -31.6006 -31.6006 -31.3426 -31.3426 -31.3258 -31.3258 -31.3167 -31.3167 -31.3066 -31.3066 0.4798 0.4798 5.2112 5.2112 6.7882 6.7882 6.9979 6.9979 7.4308 7.4308 7.5691 7.5691 7.7778 7.7778 7.8735 7.8735 8.0196 8.0196 8.3731 8.3731 8.6741 8.6741 8.8292 8.8292 9.1595 9.1595 9.2517 9.2517 9.4783 9.4783 9.5949 9.5949 9.7989 9.7989 9.8513 9.8513 10.2504 10.2504 11.1374 11.1374 12.2389 12.2389 12.6586 12.6586 13.5076 13.5076 14.0042 14.0042 k = 0.2564-0.1225-0.0898 ( 4151 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6214 -31.6214 -31.6008 -31.6008 -31.3425 -31.3425 -31.3257 -31.3257 -31.3168 -31.3168 -31.3066 -31.3066 0.5211 0.5211 5.1349 5.1349 6.7620 6.7620 7.0047 7.0047 7.4117 7.4117 7.5537 7.5537 7.7843 7.7843 7.8964 7.8964 8.0212 8.0212 8.3729 8.3729 8.6834 8.6834 8.8328 8.8328 9.1388 9.1388 9.2120 9.2120 9.4622 9.4622 9.5932 9.5932 9.8052 9.8052 9.8720 9.8720 10.2356 10.2356 11.1347 11.1347 12.1925 12.1925 12.6320 12.6320 13.5959 13.5959 14.0639 14.0639 k = 0.2692-0.1286-0.0943 ( 4152 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6213 -31.6213 -31.6010 -31.6010 -31.3425 -31.3425 -31.3255 -31.3255 -31.3170 -31.3170 -31.3066 -31.3066 0.5637 0.5637 5.0554 5.0554 6.7410 6.7410 7.0110 7.0110 7.3934 7.3934 7.5380 7.5380 7.7910 7.7910 7.9205 7.9205 8.0246 8.0246 8.3728 8.3728 8.6917 8.6917 8.8363 8.8363 9.1129 9.1129 9.1742 9.1742 9.4443 9.4443 9.5914 9.5914 9.8078 9.8078 9.8947 9.8947 10.2239 10.2239 11.1329 11.1329 12.1480 12.1480 12.6073 12.6073 13.6861 13.6861 14.1275 14.1275 k = 0.2821-0.1348-0.0988 ( 4154 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6211 -31.6211 -31.6012 -31.6012 -31.3424 -31.3424 -31.3254 -31.3254 -31.3171 -31.3171 -31.3066 -31.3066 0.6072 0.6072 4.9733 4.9733 6.7248 6.7248 7.0167 7.0167 7.3759 7.3759 7.5224 7.5224 7.7978 7.7978 7.9455 7.9455 8.0299 8.0299 8.3728 8.3728 8.6989 8.6989 8.8396 8.8396 9.0814 9.0814 9.1394 9.1394 9.4246 9.4246 9.5895 9.5895 9.8074 9.8074 9.9186 9.9186 10.2155 10.2155 11.1318 11.1318 12.1053 12.1053 12.5843 12.5843 13.7773 13.7773 14.1950 14.1950 k = 0.2949-0.1409-0.1032 ( 4152 PWs) bands (ev): -64.6710 -64.6710 -64.6647 -64.6647 -31.6210 -31.6210 -31.6013 -31.6013 -31.3424 -31.3424 -31.3252 -31.3252 -31.3173 -31.3173 -31.3066 -31.3066 0.6515 0.6515 4.8896 4.8896 6.7131 6.7131 7.0213 7.0213 7.3593 7.3593 7.5071 7.5071 7.8047 7.8047 7.9713 7.9713 8.0371 8.0371 8.3731 8.3731 8.7051 8.7051 8.8426 8.8426 9.0450 9.0450 9.1076 9.1076 9.4029 9.4029 9.5876 9.5876 9.8047 9.8047 9.9429 9.9429 10.2104 10.2104 11.1311 11.1311 12.0646 12.0646 12.5631 12.5631 13.8685 13.8685 14.2665 14.2665 k = 0.3077-0.1470-0.1077 ( 4145 PWs) bands (ev): -64.6710 -64.6710 -64.6647 -64.6647 -31.6208 -31.6208 -31.6015 -31.6015 -31.3423 -31.3423 -31.3251 -31.3251 -31.3175 -31.3175 -31.3066 -31.3066 0.6964 0.6964 4.8053 4.8053 6.7054 6.7054 7.0246 7.0246 7.3436 7.3436 7.4923 7.4923 7.8117 7.8117 7.9977 7.9977 8.0463 8.0463 8.3737 8.3737 8.7104 8.7104 8.8452 8.8452 9.0059 9.0059 9.0775 9.0775 9.3795 9.3795 9.5857 9.5857 9.8001 9.8001 9.9671 9.9671 10.2082 10.2082 11.1308 11.1308 12.0261 12.0261 12.5436 12.5436 13.9577 13.9577 14.3420 14.3420 k = 0.3205-0.1531-0.1122 ( 4151 PWs) bands (ev): -64.6710 -64.6710 -64.6647 -64.6647 -31.6207 -31.6207 -31.6016 -31.6016 -31.3423 -31.3423 -31.3249 -31.3249 -31.3177 -31.3177 -31.3066 -31.3066 0.7415 0.7415 4.7210 4.7210 6.7012 6.7012 7.0263 7.0263 7.3289 7.3289 7.4785 7.4785 7.8186 7.8186 8.0241 8.0241 8.0576 8.0576 8.3746 8.3746 8.7148 8.7148 8.8473 8.8473 8.9656 8.9656 9.0479 9.0479 9.3544 9.3544 9.5837 9.5837 9.7943 9.7943 9.9909 9.9909 10.2086 10.2086 11.1307 11.1307 11.9897 11.9897 12.5257 12.5257 14.0425 14.0425 14.4213 14.4213 k = 0.3333-0.1593-0.1167 ( 4149 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6206 -31.6206 -31.6018 -31.6018 -31.3423 -31.3423 -31.3247 -31.3247 -31.3179 -31.3179 -31.3066 -31.3066 0.7865 0.7865 4.6377 4.6377 6.7003 6.7003 7.0262 7.0262 7.3152 7.3152 7.4660 7.4660 7.8254 7.8254 8.0491 8.0491 8.0726 8.0726 8.3759 8.3759 8.7184 8.7184 8.8489 8.8489 8.9253 8.9253 9.0184 9.0184 9.3278 9.3278 9.5818 9.5818 9.7876 9.7876 10.0141 10.0141 10.2112 10.2112 11.1307 11.1307 11.9556 11.9556 12.5094 12.5094 14.1187 14.1187 14.5041 14.5041 k = 0.3462-0.1654-0.1212 ( 4148 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6204 -31.6204 -31.6020 -31.6020 -31.3422 -31.3422 -31.3245 -31.3245 -31.3181 -31.3181 -31.3066 -31.3066 0.8312 0.8312 4.5561 4.5561 6.7022 6.7022 7.0241 7.0241 7.3025 7.3025 7.4548 7.4548 7.8322 7.8322 8.0696 8.0696 8.0936 8.0936 8.3778 8.3778 8.7211 8.7211 8.8496 8.8496 8.8860 8.8860 8.9887 8.9887 9.3002 9.3002 9.5798 9.5798 9.7807 9.7807 10.0364 10.0364 10.2153 10.2153 11.1308 11.1308 11.9238 11.9238 12.4947 12.4947 14.1809 14.1809 14.5793 14.5793 k = 0.3590-0.1715-0.1257 ( 4149 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6203 -31.6203 -31.6021 -31.6021 -31.3422 -31.3422 -31.3243 -31.3243 -31.3183 -31.3183 -31.3067 -31.3067 0.8751 0.8751 4.4771 4.4771 6.7066 6.7066 7.0198 7.0198 7.2907 7.2907 7.4453 7.4453 7.8388 7.8388 8.0862 8.0862 8.1200 8.1200 8.3802 8.3802 8.7228 8.7228 8.8439 8.8439 8.8536 8.8536 8.9590 8.9590 9.2720 9.2720 9.5779 9.5779 9.7738 9.7738 10.0577 10.0577 10.2206 10.2206 11.1309 11.1309 11.8943 11.8943 12.4815 12.4815 14.2249 14.2249 14.6289 14.6289 k = 0.3718-0.1776-0.1302 ( 4141 PWs) bands (ev): -64.6708 -64.6708 -64.6649 -64.6649 -31.6202 -31.6202 -31.6022 -31.6022 -31.3422 -31.3422 -31.3241 -31.3241 -31.3185 -31.3185 -31.3066 -31.3066 0.9178 0.9178 4.4013 4.4013 6.7133 6.7133 7.0132 7.0132 7.2800 7.2800 7.4375 7.4375 7.8452 7.8452 8.1015 8.1015 8.1486 8.1486 8.3834 8.3834 8.7232 8.7232 8.8100 8.8100 8.8505 8.8505 8.9295 8.9295 9.2437 9.2437 9.5761 9.5761 9.7671 9.7671 10.0777 10.0777 10.2266 10.2266 11.1310 11.1310 11.8673 11.8673 12.4697 12.4697 14.2512 14.2512 14.6947 14.6947 k = 0.3846-0.1838-0.1347 ( 4141 PWs) bands (ev): -64.6708 -64.6708 -64.6649 -64.6649 -31.6201 -31.6201 -31.6024 -31.6024 -31.3421 -31.3421 -31.3239 -31.3239 -31.3187 -31.3187 -31.3067 -31.3067 0.9589 0.9589 4.3296 4.3296 6.7220 6.7220 7.0044 7.0044 7.2702 7.2702 7.4314 7.4314 7.8515 7.8515 8.1164 8.1164 8.1779 8.1779 8.3875 8.3875 8.7214 8.7214 8.7768 8.7768 8.8489 8.8489 8.9005 8.9005 9.2157 9.2157 9.5743 9.5743 9.7609 9.7609 10.0962 10.0962 10.2329 10.2329 11.1310 11.1310 11.8427 11.8427 12.4592 12.4592 14.2642 14.2642 14.7741 14.7741 k = 0.3974-0.1899-0.1392 ( 4139 PWs) bands (ev): -64.6708 -64.6708 -64.6649 -64.6649 -31.6200 -31.6200 -31.6025 -31.6025 -31.3421 -31.3421 -31.3237 -31.3237 -31.3189 -31.3189 -31.3067 -31.3067 0.9978 0.9978 4.2627 4.2627 6.7324 6.7324 6.9935 6.9935 7.2615 7.2615 7.4268 7.4268 7.8574 7.8574 8.1311 8.1311 8.2073 8.2073 8.3925 8.3925 8.7140 8.7140 8.7501 8.7501 8.8465 8.8465 8.8724 8.8724 9.1889 9.1889 9.5726 9.5726 9.7554 9.7554 10.1132 10.1132 10.2393 10.2393 11.1310 11.1310 11.8205 11.8205 12.4500 12.4500 14.2689 14.2689 14.8615 14.8615 k = 0.4103-0.1960-0.1436 ( 4133 PWs) bands (ev): -64.6707 -64.6707 -64.6649 -64.6649 -31.6199 -31.6199 -31.6026 -31.6026 -31.3421 -31.3421 -31.3235 -31.3235 -31.3191 -31.3191 -31.3066 -31.3066 1.0339 1.0339 4.2014 4.2014 6.7445 6.7445 6.9807 6.9807 7.2538 7.2538 7.4237 7.4237 7.8630 7.8630 8.1451 8.1451 8.2363 8.2363 8.3987 8.3987 8.6947 8.6947 8.7362 8.7362 8.8421 8.8421 8.8466 8.8466 9.1638 9.1638 9.5711 9.5711 9.7504 9.7504 10.1285 10.1285 10.2455 10.2455 11.1310 11.1310 11.8009 11.8009 12.4420 12.4420 14.2691 14.2691 14.9523 14.9523 k = 0.4231-0.2022-0.1481 ( 4135 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6198 -31.6198 -31.6027 -31.6027 -31.3421 -31.3421 -31.3233 -31.3233 -31.3193 -31.3193 -31.3066 -31.3066 1.0668 1.0668 4.1463 4.1463 6.7579 6.7579 6.9663 6.9663 7.2471 7.2471 7.4216 7.4216 7.8682 7.8682 8.1583 8.1583 8.2646 8.2646 8.4059 8.4059 8.6687 8.6687 8.7302 8.7302 8.8196 8.8196 8.8400 8.8400 9.1411 9.1411 9.5697 9.5697 9.7462 9.7462 10.1419 10.1419 10.2513 10.2513 11.1309 11.1309 11.7838 11.7838 12.4352 12.4352 14.2669 14.2669 15.0428 15.0428 k = 0.4359-0.2083-0.1526 ( 4131 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6197 -31.6197 -31.6028 -31.6028 -31.3421 -31.3421 -31.3231 -31.3231 -31.3195 -31.3195 -31.3066 -31.3066 1.0959 1.0959 4.0983 4.0983 6.7725 6.7725 6.9505 6.9505 7.2415 7.2415 7.4205 7.4205 7.8729 7.8729 8.1700 8.1700 8.2914 8.2914 8.4142 8.4142 8.6425 8.6425 8.7259 8.7259 8.7966 8.7966 8.8357 8.8357 9.1212 9.1212 9.5684 9.5684 9.7426 9.7426 10.1535 10.1535 10.2565 10.2565 11.1308 11.1308 11.7694 11.7694 12.4295 12.4295 14.2637 14.2637 15.1297 15.1297 k = 0.4487-0.2144-0.1571 ( 4130 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6197 -31.6197 -31.6028 -31.6028 -31.3421 -31.3421 -31.3230 -31.3230 -31.3197 -31.3197 -31.3066 -31.3066 1.1206 1.1206 4.0579 4.0579 6.7881 6.7881 6.9338 6.9338 7.2368 7.2368 7.4200 7.4200 7.8769 7.8769 8.1802 8.1802 8.3162 8.3162 8.4233 8.4233 8.6181 8.6181 8.7218 8.7218 8.7761 8.7761 8.8313 8.8313 9.1047 9.1047 9.5674 9.5674 9.7397 9.7397 10.1630 10.1630 10.2609 10.2609 11.1306 11.1306 11.7575 11.7575 12.4249 12.4249 14.2603 14.2603 15.2097 15.2097 k = 0.4615-0.2205-0.1616 ( 4126 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3228 -31.3228 -31.3198 -31.3198 -31.3066 -31.3066 1.1404 1.1404 4.0258 4.0258 6.8045 6.8045 6.9164 6.9164 7.2332 7.2332 7.4198 7.4198 7.8802 7.8802 8.1883 8.1883 8.3380 8.3380 8.4325 8.4325 8.5963 8.5963 8.7180 8.7180 8.7589 8.7589 8.8274 8.8274 9.0917 9.0917 9.5666 9.5666 9.7375 9.7375 10.1704 10.1704 10.2645 10.2645 11.1305 11.1305 11.7482 11.7482 12.4214 12.4214 14.2573 14.2573 15.2788 15.2788 k = 0.4744-0.2267-0.1661 ( 4126 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3227 -31.3227 -31.3199 -31.3199 -31.3066 -31.3066 1.1549 1.1549 4.0025 4.0025 6.8213 6.8213 6.8988 6.8988 7.2306 7.2306 7.4199 7.4199 7.8826 7.8826 8.1942 8.1942 8.3554 8.3554 8.4409 8.4409 8.5783 8.5783 8.7151 8.7151 8.7454 8.7454 8.8243 8.8243 9.0825 9.0825 9.5660 9.5660 9.7359 9.7359 10.1758 10.1758 10.2672 10.2672 11.1304 11.1304 11.7415 11.7415 12.4189 12.4189 14.2550 14.2550 15.3329 15.3329 k = 0.4872-0.2328-0.1706 ( 4130 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3200 -31.3200 -31.3066 -31.3066 1.1638 1.1638 3.9883 3.9883 6.8375 6.8375 6.8820 6.8820 7.2291 7.2291 7.4199 7.4199 7.8841 7.8841 8.1978 8.1978 8.3669 8.3669 8.4472 8.4472 8.5659 8.5659 8.7135 8.7135 8.7364 8.7364 8.8224 8.8224 9.0770 9.0770 9.5656 9.5656 9.7349 9.7349 10.1790 10.1790 10.2688 10.2688 11.1304 11.1304 11.7376 11.7376 12.4174 12.4174 14.2535 14.2535 15.3676 15.3676 k = 0.5000-0.2389-0.1751 ( 4138 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3201 -31.3201 -31.3066 -31.3066 1.1668 1.1668 3.9836 3.9836 6.8472 6.8472 6.8721 6.8721 7.2285 7.2285 7.4200 7.4200 7.8846 7.8846 8.1990 8.1990 8.3710 8.3710 8.4496 8.4496 8.5614 8.5614 8.7131 8.7131 8.7331 8.7331 8.8217 8.8217 9.0752 9.0752 9.5655 9.5655 9.7346 9.7346 10.1801 10.1801 10.2694 10.2694 11.1303 11.1303 11.7362 11.7362 12.4169 12.4169 14.2530 14.2530 15.3796 15.3796 k = 0.5000-0.2389-0.1751 ( 4138 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3201 -31.3201 -31.3066 -31.3066 1.1668 1.1668 3.9836 3.9836 6.8472 6.8472 6.8721 6.8721 7.2285 7.2285 7.4200 7.4200 7.8846 7.8846 8.1990 8.1990 8.3710 8.3710 8.4496 8.4496 8.5614 8.5614 8.7131 8.7131 8.7331 8.7331 8.8217 8.8217 9.0752 9.0752 9.5655 9.5655 9.7346 9.7346 10.1801 10.1801 10.2694 10.2694 11.1303 11.1303 11.7362 11.7362 12.4169 12.4169 14.2530 14.2530 15.3796 15.3796 k = 0.5000-0.2302-0.1870 ( 4132 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3201 -31.3201 -31.3066 -31.3066 1.1677 1.1677 3.9848 3.9848 6.8440 6.8440 6.8623 6.8623 7.2339 7.2339 7.4243 7.4243 7.8852 7.8852 8.1987 8.1987 8.3688 8.3688 8.4500 8.4500 8.5606 8.5606 8.6995 8.6995 8.7482 8.7482 8.8217 8.8217 9.0748 9.0748 9.5647 9.5647 9.7335 9.7335 10.1799 10.1799 10.2649 10.2649 11.1382 11.1382 11.7179 11.7179 12.4424 12.4424 14.2557 14.2557 15.3681 15.3681 k = 0.5000-0.2214-0.1990 ( 4124 PWs) bands (ev): -64.6706 -64.6706 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3200 -31.3200 -31.3066 -31.3066 1.1705 1.1705 3.9883 3.9883 6.8297 6.8297 6.8401 6.8401 7.2479 7.2479 7.4371 7.4371 7.8872 7.8872 8.1978 8.1978 8.3626 8.3626 8.4510 8.4510 8.5582 8.5582 8.6810 8.6810 8.7712 8.7712 8.8216 8.8216 9.0737 9.0737 9.5623 9.5623 9.7303 9.7303 10.1789 10.1789 10.2525 10.2525 11.1612 11.1612 11.6700 11.6700 12.5118 12.5118 14.2636 14.2636 15.3352 15.3352 k = 0.5000-0.2126-0.2109 ( 4128 PWs) bands (ev): -64.6706 -64.6706 -64.6650 -64.6650 -31.6196 -31.6196 -31.6030 -31.6030 -31.3420 -31.3420 -31.3226 -31.3226 -31.3200 -31.3200 -31.3067 -31.3067 1.1752 1.1752 3.9942 3.9942 6.7903 6.7903 6.8239 6.8239 7.2661 7.2661 7.4582 7.4582 7.8905 7.8905 8.1962 8.1962 8.3528 8.3528 8.4520 8.4520 8.5537 8.5537 8.6647 8.6647 8.7954 8.7954 8.8216 8.8216 9.0720 9.0720 9.5582 9.5582 9.7251 9.7251 10.1751 10.1751 10.2351 10.2351 11.1978 11.1978 11.6063 11.6063 12.6116 12.6116 14.2768 14.2768 15.2844 15.2844 k = 0.5000-0.2039-0.2228 ( 4126 PWs) bands (ev): -64.6706 -64.6706 -64.6650 -64.6650 -31.6195 -31.6195 -31.6030 -31.6030 -31.3420 -31.3420 -31.3226 -31.3226 -31.3200 -31.3200 -31.3067 -31.3067 1.1817 1.1817 4.0024 4.0024 6.7397 6.7397 6.8044 6.8044 7.2851 7.2851 7.4867 7.4867 7.8952 7.8952 8.1939 8.1939 8.3400 8.3400 8.4525 8.4525 8.5468 8.5468 8.6517 8.6517 8.8172 8.8172 8.8247 8.8247 9.0696 9.0696 9.5525 9.5525 9.7183 9.7183 10.1643 10.1643 10.2185 10.2185 11.2458 11.2458 11.5377 11.5377 12.7310 12.7310 14.2953 14.2953 15.2204 15.2204 k = 0.5000-0.1951-0.2348 ( 4122 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6195 -31.6195 -31.6030 -31.6030 -31.3420 -31.3420 -31.3226 -31.3226 -31.3200 -31.3200 -31.3067 -31.3067 1.1900 1.1900 4.0130 4.0130 6.6826 6.6826 6.7798 6.7798 7.3038 7.3038 7.5209 7.5209 7.9012 7.9012 8.1906 8.1906 8.3246 8.3246 8.4519 8.4519 8.5373 8.5373 8.6425 8.6425 8.8196 8.8196 8.8475 8.8475 9.0666 9.0666 9.5452 9.5452 9.7099 9.7099 10.1424 10.1424 10.2077 10.2077 11.3031 11.3031 11.4708 11.4708 12.8637 12.8637 14.3194 14.3194 15.1472 15.1472 k = 0.5000-0.1864-0.2467 ( 4128 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6194 -31.6194 -31.6031 -31.6031 -31.3420 -31.3420 -31.3227 -31.3227 -31.3199 -31.3199 -31.3067 -31.3067 1.2002 1.2002 4.0259 4.0259 6.6212 6.6212 6.7502 6.7502 7.3221 7.3221 7.5590 7.5590 7.9088 7.9088 8.1863 8.1863 8.3071 8.3071 8.4495 8.4495 8.5259 8.5259 8.6371 8.6371 8.8191 8.8191 8.8734 8.8734 9.0632 9.0632 9.5363 9.5363 9.7003 9.7003 10.1123 10.1123 10.2011 10.2011 11.3674 11.3674 11.4100 11.4100 13.0056 13.0056 14.3489 14.3489 15.0683 15.0683 k = 0.5000-0.1776-0.2587 ( 4126 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6194 -31.6194 -31.6032 -31.6032 -31.3419 -31.3419 -31.3227 -31.3227 -31.3199 -31.3199 -31.3067 -31.3067 1.2121 1.2121 4.0410 4.0410 6.5568 6.5568 6.7157 6.7157 7.3404 7.3404 7.5991 7.5991 7.9179 7.9179 8.1805 8.1805 8.2878 8.2878 8.4449 8.4449 8.5139 8.5139 8.6348 8.6348 8.8181 8.8181 8.8996 8.8996 9.0594 9.0594 9.5259 9.5259 9.6895 9.6895 10.0783 10.0783 10.1947 10.1947 11.3561 11.3561 11.4388 11.4388 13.1545 13.1545 14.3841 14.3841 14.9866 14.9866 k = 0.5000-0.1689-0.2706 ( 4126 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6193 -31.6193 -31.6032 -31.6032 -31.3419 -31.3419 -31.3227 -31.3227 -31.3199 -31.3199 -31.3067 -31.3067 1.2258 1.2258 4.0585 4.0585 6.4903 6.4903 6.6766 6.6766 7.3594 7.3594 7.6400 7.6400 7.9286 7.9286 8.1731 8.1731 8.2671 8.2671 8.4372 8.4372 8.5026 8.5026 8.6349 8.6349 8.8165 8.8165 8.9259 8.9259 9.0555 9.0555 9.5141 9.5141 9.6776 9.6776 10.0430 10.0430 10.1867 10.1867 11.3130 11.3130 11.5135 11.5135 13.3081 13.3081 14.4249 14.4249 14.9032 14.9032 k = 0.5000-0.1601-0.2826 ( 4130 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6193 -31.6193 -31.6033 -31.6033 -31.3419 -31.3419 -31.3228 -31.3228 -31.3199 -31.3199 -31.3067 -31.3067 1.2411 1.2411 4.0781 4.0781 6.4222 6.4222 6.6331 6.6331 7.3792 7.3792 7.6806 7.6806 7.9411 7.9411 8.1636 8.1636 8.2453 8.2453 8.4262 8.4262 8.4933 8.4933 8.6368 8.6368 8.8141 8.8141 8.9519 8.9519 9.0519 9.0519 9.5012 9.5012 9.6646 9.6646 10.0076 10.0076 10.1763 10.1763 11.2802 11.2802 11.5915 11.5915 13.4648 13.4648 14.4710 14.4710 14.7863 14.7863 k = 0.5000-0.1514-0.2945 ( 4134 PWs) bands (ev): -64.6705 -64.6705 -64.6651 -64.6651 -31.6192 -31.6192 -31.6034 -31.6034 -31.3419 -31.3419 -31.3228 -31.3228 -31.3198 -31.3198 -31.3068 -31.3068 1.2581 1.2581 4.0999 4.0999 6.3532 6.3532 6.5854 6.5854 7.4003 7.4003 7.7202 7.7202 7.9555 7.9555 8.1517 8.1517 8.2229 8.2229 8.4124 8.4124 8.4860 8.4860 8.6401 8.6401 8.8108 8.8108 8.9773 8.9773 9.0492 9.0492 9.4873 9.4873 9.6502 9.6502 9.9730 9.9730 10.1634 10.1634 11.2582 11.2582 11.6717 11.6717 13.6219 13.6219 14.5199 14.5199 14.6683 14.6683 k = 0.5000-0.1426-0.3064 ( 4134 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6191 -31.6191 -31.6035 -31.6035 -31.3418 -31.3418 -31.3229 -31.3229 -31.3198 -31.3198 -31.3068 -31.3068 1.2767 1.2767 4.1238 4.1238 6.2837 6.2837 6.5338 6.5338 7.4226 7.4226 7.7581 7.7581 7.9718 7.9718 8.1369 8.1369 8.2005 8.2005 8.3966 8.3966 8.4804 8.4804 8.6444 8.6444 8.8063 8.8063 9.0006 9.0006 9.0489 9.0489 9.4726 9.4726 9.6344 9.6344 9.9396 9.9396 10.1484 10.1484 11.2466 11.2466 11.7532 11.7532 13.7756 13.7756 14.5203 14.5203 14.6056 14.6056 k = 0.5000-0.1339-0.3184 ( 4132 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6190 -31.6190 -31.6036 -31.6036 -31.3418 -31.3418 -31.3229 -31.3229 -31.3197 -31.3197 -31.3068 -31.3068 1.2967 1.2967 4.1498 4.1498 6.2140 6.2140 6.4787 6.4787 7.4464 7.4464 7.7938 7.7938 7.9895 7.9895 8.1195 8.1195 8.1784 8.1784 8.3796 8.3796 8.4761 8.4761 8.6496 8.6496 8.8002 8.8002 9.0179 9.0179 9.0552 9.0552 9.4573 9.4573 9.6169 9.6169 9.9078 9.9078 10.1320 10.1320 11.2448 11.2448 11.8350 11.8350 13.9180 13.9180 14.4128 14.4128 14.6246 14.6246 k = 0.5000-0.1251-0.3303 ( 4126 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6189 -31.6189 -31.6037 -31.6037 -31.3417 -31.3417 -31.3230 -31.3230 -31.3196 -31.3196 -31.3069 -31.3069 1.3183 1.3183 4.1777 4.1777 6.1444 6.1444 6.4203 6.4203 7.4715 7.4715 7.8269 7.8269 8.0071 8.0071 8.1011 8.1011 8.1568 8.1568 8.3620 8.3620 8.4728 8.4728 8.6556 8.6556 8.7924 8.7924 9.0254 9.0254 9.0719 9.0719 9.4417 9.4417 9.5976 9.5976 9.8777 9.8777 10.1150 10.1150 11.2519 11.2519 11.9165 11.9165 14.0326 14.0326 14.2971 14.2971 14.6084 14.6084 k = 0.5000-0.1164-0.3423 ( 4128 PWs) bands (ev): -64.6704 -64.6704 -64.6652 -64.6652 -31.6188 -31.6188 -31.6039 -31.6039 -31.3417 -31.3417 -31.3231 -31.3231 -31.3196 -31.3196 -31.3069 -31.3069 1.3412 1.3412 4.2076 4.2076 6.0753 6.0753 6.3590 6.3590 7.4981 7.4981 7.8573 7.8573 8.0184 8.0184 8.0878 8.0878 8.1360 8.1360 8.3443 8.3443 8.4705 8.4705 8.6622 8.6622 8.7828 8.7828 9.0278 9.0278 9.0945 9.0945 9.4261 9.4261 9.5764 9.5764 9.8496 9.8496 10.0983 10.0983 11.2668 11.2668 11.9966 11.9966 14.0952 14.0952 14.1833 14.1833 14.6467 14.6467 k = 0.5000-0.1076-0.3542 ( 4124 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6187 -31.6187 -31.6040 -31.6040 -31.3416 -31.3416 -31.3231 -31.3231 -31.3195 -31.3195 -31.3069 -31.3069 1.3653 1.3653 4.2392 4.2392 6.0069 6.0069 6.2952 6.2952 7.5260 7.5260 7.8849 7.8849 8.0117 8.0117 8.0875 8.0875 8.1195 8.1195 8.3267 8.3267 8.4689 8.4689 8.6694 8.6694 8.7713 8.7713 9.0291 9.0291 9.1186 9.1186 9.4105 9.4105 9.5534 9.5534 9.8235 9.8235 10.0825 10.0825 11.2885 11.2885 12.0746 12.0746 14.0689 14.0689 14.1033 14.1033 14.7479 14.7479 k = 0.5000-0.0989-0.3662 ( 4124 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6186 -31.6186 -31.6041 -31.6041 -31.3415 -31.3415 -31.3232 -31.3232 -31.3194 -31.3194 -31.3070 -31.3070 1.3907 1.3907 4.2725 4.2725 5.9395 5.9395 6.2291 6.2291 7.5552 7.5552 7.9097 7.9097 7.9897 7.9897 8.0789 8.0789 8.1264 8.1264 8.3095 8.3095 8.4682 8.4682 8.6771 8.6771 8.7581 8.7581 9.0304 9.0304 9.1428 9.1428 9.3954 9.3954 9.5290 9.5290 9.7995 9.7995 10.0682 10.0682 11.3161 11.3161 12.1496 12.1496 13.9631 13.9631 14.0693 14.0693 14.8907 14.8907 k = 0.5000-0.0901-0.3781 ( 4122 PWs) bands (ev): -64.6703 -64.6703 -64.6653 -64.6653 -31.6184 -31.6184 -31.6043 -31.6043 -31.3415 -31.3415 -31.3233 -31.3233 -31.3194 -31.3194 -31.3070 -31.3070 1.4171 1.4171 4.3074 4.3074 5.8735 5.8735 6.1613 6.1613 7.5857 7.5857 7.9291 7.9291 7.9645 7.9645 8.0572 8.0572 8.1517 8.1517 8.2929 8.2929 8.4683 8.4683 8.6850 8.6850 8.7435 8.7435 9.0319 9.0319 9.1665 9.1665 9.3808 9.3808 9.5033 9.5033 9.7775 9.7775 10.0555 10.0555 11.3488 11.3488 12.2203 12.2203 13.8609 13.8609 14.0195 14.0195 15.0529 15.0529 k = 0.5000-0.0814-0.3900 ( 4118 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6183 -31.6183 -31.6044 -31.6044 -31.3414 -31.3414 -31.3234 -31.3234 -31.3193 -31.3193 -31.3070 -31.3070 1.4444 1.4444 4.3436 4.3436 5.8090 5.8090 6.0921 6.0921 7.6172 7.6172 7.9200 7.9200 7.9623 7.9623 8.0335 8.0335 8.1816 8.1816 8.2773 8.2773 8.4690 8.4690 8.6926 8.6926 8.7282 8.7282 9.0334 9.0334 9.1892 9.1892 9.3671 9.3671 9.4771 9.4771 9.7576 9.7576 10.0446 10.0446 11.3857 11.3857 12.2855 12.2855 13.7648 13.7648 13.9631 13.9631 15.2001 15.2001 k = 0.5000-0.0726-0.4020 ( 4116 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6182 -31.6182 -31.6046 -31.6046 -31.3413 -31.3413 -31.3235 -31.3235 -31.3192 -31.3192 -31.3071 -31.3071 1.4726 1.4726 4.3809 4.3809 5.7464 5.7464 6.0220 6.0220 7.6497 7.6497 7.8888 7.8888 7.9729 7.9729 8.0148 8.0148 8.2111 8.2111 8.2644 8.2644 8.4705 8.4705 8.6964 8.6964 8.7161 8.7161 9.0346 9.0346 9.2104 9.2104 9.3546 9.3546 9.4509 9.4509 9.7398 9.7398 10.0355 10.0355 11.4263 11.4263 12.3436 12.3436 13.6763 13.6763 13.9046 13.9046 15.3216 15.3216 k = 0.5000-0.0639-0.4139 ( 4108 PWs) bands (ev): -64.6702 -64.6702 -64.6654 -64.6654 -31.6180 -31.6180 -31.6047 -31.6047 -31.3413 -31.3413 -31.3236 -31.3236 -31.3191 -31.3191 -31.3071 -31.3071 1.5015 1.5015 4.4191 4.4191 5.6859 5.6859 5.9515 5.9515 7.6827 7.6827 7.8543 7.8543 7.9616 7.9616 8.0186 8.0186 8.2286 8.2286 8.2649 8.2649 8.4726 8.4726 8.6859 8.6859 8.7179 8.7179 9.0351 9.0351 9.2291 9.2291 9.3439 9.3439 9.4257 9.4257 9.7242 9.7242 10.0281 10.0281 11.4698 11.4698 12.3925 12.3925 13.5976 13.5976 13.8464 13.8464 15.4468 15.4468 k = 0.5000-0.0551-0.4259 ( 4114 PWs) bands (ev): -64.6702 -64.6702 -64.6655 -64.6655 -31.6179 -31.6179 -31.6049 -31.6049 -31.3412 -31.3412 -31.3237 -31.3237 -31.3190 -31.3190 -31.3071 -31.3071 1.5309 1.5309 4.4578 4.4578 5.6277 5.6277 5.8811 5.8811 7.7157 7.7157 7.8192 7.8192 7.9355 7.9355 8.0363 8.0363 8.2223 8.2223 8.2897 8.2897 8.4755 8.4755 8.6684 8.6684 8.7264 8.7264 9.0346 9.0346 9.2436 9.2436 9.3359 9.3359 9.4027 9.4027 9.7108 9.7108 10.0220 10.0220 11.5160 11.5160 12.4298 12.4298 13.5310 13.5310 13.7898 13.7898 15.5783 15.5783 k = 0.5000-0.0464-0.4378 ( 4110 PWs) bands (ev): -64.6701 -64.6701 -64.6655 -64.6655 -31.6177 -31.6177 -31.6050 -31.6050 -31.3411 -31.3411 -31.3238 -31.3238 -31.3189 -31.3189 -31.3072 -31.3072 1.5607 1.5607 4.4966 4.4966 5.5721 5.5721 5.8114 5.8114 7.7440 7.7440 7.7882 7.7882 7.9062 7.9062 8.0570 8.0570 8.2101 8.2101 8.3205 8.3205 8.4793 8.4793 8.6495 8.6495 8.7363 8.7363 9.0327 9.0327 9.2512 9.2512 9.3319 9.3319 9.3838 9.3838 9.6997 9.6997 10.0172 10.0172 11.5642 11.5642 12.4528 12.4528 13.4792 13.4792 13.7357 13.7357 15.7166 15.7166 k = 0.5000-0.0376-0.4498 ( 4118 PWs) bands (ev): -64.6701 -64.6701 -64.6656 -64.6656 -31.6176 -31.6176 -31.6052 -31.6052 -31.3411 -31.3411 -31.3240 -31.3240 -31.3188 -31.3188 -31.3072 -31.3072 1.5908 1.5908 4.5348 4.5348 5.5193 5.5193 5.7433 5.7433 7.7341 7.7341 7.7940 7.7940 7.8765 7.8765 8.0787 8.0787 8.1974 8.1974 8.3508 8.3508 8.4843 8.4843 8.6304 8.6304 8.7469 8.7469 9.0292 9.0292 9.2494 9.2494 9.3324 9.3324 9.3713 9.3713 9.6909 9.6909 10.0134 10.0134 11.6142 11.6142 12.4592 12.4592 13.4444 13.4444 13.6845 13.6845 15.8613 15.8613 k = 0.5000-0.0289-0.4617 ( 4126 PWs) bands (ev): -64.6701 -64.6701 -64.6656 -64.6656 -31.6175 -31.6175 -31.6054 -31.6054 -31.3410 -31.3410 -31.3241 -31.3241 -31.3187 -31.3187 -31.3073 -31.3073 1.6209 1.6209 4.5718 4.5718 5.4697 5.4697 5.6776 5.6776 7.6989 7.6989 7.8175 7.8175 7.8535 7.8535 8.1009 8.1009 8.1853 8.1853 8.3784 8.3784 8.4916 8.4916 8.6116 8.6116 8.7579 8.7579 9.0241 9.0241 9.2391 9.2391 9.3338 9.3338 9.3683 9.3683 9.6845 9.6845 10.0103 10.0103 11.6654 11.6654 12.4481 12.4481 13.4279 13.4279 13.6367 13.6367 16.0122 16.0122 k = 0.5000-0.0201-0.4737 ( 4126 PWs) bands (ev): -64.6700 -64.6700 -64.6656 -64.6656 -31.6173 -31.6173 -31.6056 -31.6056 -31.3409 -31.3409 -31.3243 -31.3243 -31.3186 -31.3186 -31.3073 -31.3073 1.6508 1.6508 4.6065 4.6065 5.4234 5.4234 5.6155 5.6155 7.6606 7.6606 7.8037 7.8037 7.8698 7.8698 8.1235 8.1235 8.1741 8.1741 8.4012 8.4012 8.5021 8.5021 8.5938 8.5938 8.7693 8.7693 9.0173 9.0173 9.2234 9.2234 9.3337 9.3337 9.3740 9.3740 9.6806 9.6806 10.0080 10.0080 11.7174 11.7174 12.4201 12.4201 13.4288 13.4288 13.5926 13.5926 16.1690 16.1690 k = 0.5000-0.0114-0.4856 ( 4126 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6171 -31.6171 -31.6058 -31.6058 -31.3408 -31.3408 -31.3244 -31.3244 -31.3184 -31.3184 -31.3074 -31.3074 1.6805 1.6805 4.6376 4.6376 5.3807 5.3807 5.5584 5.5584 7.6215 7.6215 7.7737 7.7737 7.9021 7.9021 8.1461 8.1461 8.1646 8.1646 8.4173 8.4173 8.5156 8.5156 8.5791 8.5791 8.7810 8.7810 9.0091 9.0091 9.2052 9.2052 9.3338 9.3338 9.3838 9.3838 9.6792 9.6792 10.0061 10.0061 11.7699 11.7699 12.3777 12.3777 13.4447 13.4447 13.5529 13.5529 16.3312 16.3312 k = 0.5000-0.0026-0.4975 ( 4130 PWs) bands (ev): -64.6699 -64.6699 -64.6657 -64.6657 -31.6170 -31.6170 -31.6060 -31.6060 -31.3407 -31.3407 -31.3246 -31.3246 -31.3183 -31.3183 -31.3074 -31.3074 1.7096 1.7096 4.6633 4.6633 5.3419 5.3419 5.5082 5.5082 7.5819 7.5819 7.7422 7.7422 7.9352 7.9352 8.1543 8.1543 8.1715 8.1715 8.4264 8.4264 8.5251 8.5251 8.5746 8.5746 8.7929 8.7929 9.0000 9.0000 9.1862 9.1862 9.3356 9.3356 9.3946 9.3946 9.6801 9.6801 10.0045 10.0045 11.8225 11.8225 12.3241 12.3241 13.4718 13.4718 13.5184 13.5184 16.4977 16.4977 k = 0.5000 0.0061-0.5095 ( 4130 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6168 -31.6168 -31.6062 -31.6062 -31.3407 -31.3407 -31.3248 -31.3248 -31.3182 -31.3182 -31.3075 -31.3075 1.7380 1.7380 4.6815 4.6815 5.3072 5.3072 5.4669 5.4669 7.5420 7.5420 7.7106 7.7106 7.9666 7.9666 8.1490 8.1490 8.1947 8.1947 8.4300 8.4300 8.5202 8.5202 8.5891 8.5891 8.8049 8.8049 8.9904 8.9904 9.1675 9.1675 9.3390 9.3390 9.4051 9.4051 9.6834 9.6834 10.0032 10.0032 11.8745 11.8745 12.2623 12.2623 13.4823 13.4823 13.5144 13.5144 16.6664 16.6664 k = 0.5000 0.0149-0.5214 ( 4132 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6166 -31.6166 -31.6064 -31.6064 -31.3406 -31.3406 -31.3250 -31.3250 -31.3180 -31.3180 -31.3075 -31.3075 1.7655 1.7655 4.6902 4.6902 5.2767 5.2767 5.4369 5.4369 7.5020 7.5020 7.6791 7.6791 7.9947 7.9947 8.1470 8.1470 8.2187 8.2187 8.4296 8.4296 8.5075 8.5075 8.6145 8.6145 8.8168 8.8168 8.9813 8.9813 9.1497 9.1497 9.3439 9.3439 9.4148 9.4148 9.6888 9.6888 10.0020 10.0020 11.9255 11.9255 12.1950 12.1950 13.4588 13.4588 13.5558 13.5558 16.8271 16.8271 k = 0.5000 0.0237-0.5334 ( 4136 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6165 -31.6165 -31.6066 -31.6066 -31.3405 -31.3405 -31.3251 -31.3251 -31.3179 -31.3179 -31.3076 -31.3076 1.7919 1.7919 4.6875 4.6875 5.2508 5.2508 5.4198 5.4198 7.4620 7.4620 7.6482 7.6482 8.0170 8.0170 8.1505 8.1505 8.2429 8.2429 8.4264 8.4264 8.4930 8.4930 8.6433 8.6433 8.8281 8.8281 8.9734 8.9734 9.1332 9.1332 9.3500 9.3500 9.4236 9.4236 9.6961 9.6961 10.0009 10.0009 11.9745 11.9745 12.1246 12.1246 13.4391 13.4391 13.6031 13.6031 16.8756 16.8756 k = 0.5000 0.0324-0.5453 ( 4140 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6163 -31.6163 -31.6067 -31.6067 -31.3404 -31.3404 -31.3253 -31.3253 -31.3177 -31.3177 -31.3076 -31.3076 1.8171 1.8171 4.6728 4.6728 5.2295 5.2295 5.4163 5.4163 7.4221 7.4221 7.6178 7.6178 8.0317 8.0317 8.1615 8.1615 8.2672 8.2672 8.4210 8.4210 8.4785 8.4785 8.6730 8.6730 8.8382 8.8382 8.9680 8.9680 9.1182 9.1182 9.3570 9.3570 9.4316 9.4316 9.7049 9.7049 9.9998 9.9998 12.0175 12.0175 12.0562 12.0562 13.4252 13.4252 13.6532 13.6532 16.7081 16.7081 k = 0.5000 0.0412-0.5573 ( 4138 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6161 -31.6161 -31.6069 -31.6069 -31.3403 -31.3403 -31.3255 -31.3255 -31.3176 -31.3176 -31.3077 -31.3077 1.8408 1.8408 4.6468 4.6468 5.2130 5.2130 5.4257 5.4257 7.3824 7.3824 7.5882 7.5882 8.0386 8.0386 8.1796 8.1796 8.2912 8.2912 8.4143 8.4143 8.4643 8.4643 8.7028 8.7028 8.8464 8.8464 8.9664 8.9664 9.1048 9.1048 9.3646 9.3646 9.4389 9.4389 9.7151 9.7151 9.9987 9.9987 11.9744 11.9744 12.0702 12.0702 13.4178 13.4178 13.7042 13.7042 16.5075 16.5075 k = 0.5000 0.0499-0.5692 ( 4146 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6160 -31.6160 -31.6071 -31.6071 -31.3402 -31.3402 -31.3258 -31.3258 -31.3174 -31.3174 -31.3077 -31.3077 1.8629 1.8629 4.6113 4.6113 5.2016 5.2016 5.4462 5.4462 7.3430 7.3430 7.5594 7.5594 8.0400 8.0400 8.2025 8.2025 8.3143 8.3143 8.4073 8.4073 8.4507 8.4507 8.7317 8.7317 8.8518 8.8518 8.9698 8.9698 9.0933 9.0933 9.3726 9.3726 9.4457 9.4457 9.7262 9.7262 9.9974 9.9974 11.9015 11.9015 12.1105 12.1105 13.4175 13.4175 13.7548 13.7548 16.3065 16.3065 k = 0.5000 0.0587-0.5811 ( 4146 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6158 -31.6158 -31.6073 -31.6073 -31.3401 -31.3401 -31.3260 -31.3260 -31.3173 -31.3173 -31.3078 -31.3078 1.8833 1.8833 4.5684 4.5684 5.1952 5.1952 5.4755 5.4755 7.3041 7.3041 7.5314 7.5314 8.0382 8.0382 8.2273 8.2273 8.3351 8.3351 8.4013 8.4013 8.4380 8.4380 8.7592 8.7592 8.8547 8.8547 8.9789 8.9789 9.0838 9.0838 9.3810 9.3810 9.4521 9.4521 9.7379 9.7379 9.9961 9.9961 11.8283 11.8283 12.1477 12.1477 13.4246 13.4246 13.8035 13.8035 16.1102 16.1102 k = 0.7315 0.2046-0.1191 ( 4146 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6158 -31.6158 -31.6073 -31.6073 -31.3401 -31.3401 -31.3260 -31.3260 -31.3173 -31.3173 -31.3078 -31.3078 1.8832 1.8832 4.5684 4.5684 5.1952 5.1952 5.4755 5.4755 7.3040 7.3040 7.5315 7.5315 8.0382 8.0382 8.2272 8.2272 8.3350 8.3350 8.4013 8.4013 8.4381 8.4381 8.7591 8.7591 8.8545 8.8545 8.9787 8.9787 9.0838 9.0838 9.3810 9.3810 9.4522 9.4522 9.7379 9.7379 9.9961 9.9961 11.8283 11.8283 12.1477 12.1477 13.4246 13.4246 13.8035 13.8035 16.1102 16.1102 k = 0.7238 0.2083-0.1075 ( 4146 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6157 -31.6157 -31.6075 -31.6075 -31.3400 -31.3400 -31.3262 -31.3262 -31.3171 -31.3171 -31.3078 -31.3078 1.9014 1.9014 4.5215 4.5215 5.1939 5.1939 5.5104 5.5104 7.2665 7.2665 7.5051 7.5051 8.0348 8.0348 8.2514 8.2514 8.3501 8.3501 8.3980 8.3980 8.4286 8.4286 8.7834 8.7834 8.8562 8.8562 8.9925 8.9925 9.0765 9.0765 9.3893 9.3893 9.4585 9.4585 9.7498 9.7498 9.9946 9.9946 11.7575 11.7575 12.1798 12.1798 13.4390 13.4390 13.8475 13.8475 15.9257 15.9257 k = 0.7161 0.2120-0.0958 ( 4150 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6155 -31.6155 -31.6077 -31.6077 -31.3399 -31.3399 -31.3264 -31.3264 -31.3169 -31.3169 -31.3079 -31.3079 1.9177 1.9177 4.4712 4.4712 5.1975 5.1975 5.5498 5.5498 7.2296 7.2296 7.4797 7.4797 8.0306 8.0306 8.2738 8.2738 8.3565 8.3565 8.3951 8.3951 8.4284 8.4284 8.8026 8.8026 8.8601 8.8601 9.0104 9.0104 9.0714 9.0714 9.3976 9.3976 9.4647 9.4647 9.7617 9.7617 9.9930 9.9930 11.6879 11.6879 12.2074 12.2074 13.4611 13.4611 13.8860 13.8860 15.7508 15.7508 k = 0.7084 0.2157-0.0841 ( 4148 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6153 -31.6153 -31.6079 -31.6079 -31.3397 -31.3397 -31.3266 -31.3266 -31.3167 -31.3167 -31.3079 -31.3079 1.9321 1.9321 4.4188 4.4188 5.2061 5.2061 5.5923 5.5923 7.1934 7.1934 7.4554 7.4554 8.0261 8.0261 8.2922 8.2922 8.3566 8.3566 8.3885 8.3885 8.4413 8.4413 8.8131 8.8131 8.8707 8.8707 9.0312 9.0312 9.0688 9.0688 9.4059 9.4059 9.4710 9.4710 9.7737 9.7737 9.9913 9.9913 11.6198 11.6198 12.2302 12.2302 13.4908 13.4908 13.9161 13.9161 15.5885 15.5885 k = 0.7006 0.2194-0.0724 ( 4158 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6152 -31.6152 -31.6080 -31.6080 -31.3396 -31.3396 -31.3269 -31.3269 -31.3166 -31.3166 -31.3080 -31.3080 1.9447 1.9447 4.3654 4.3654 5.2196 5.2196 5.6366 5.6366 7.1580 7.1580 7.4321 7.4321 8.0215 8.0215 8.3028 8.3028 8.3557 8.3557 8.3831 8.3831 8.4603 8.4603 8.8150 8.8150 8.8886 8.8886 9.0531 9.0531 9.0697 9.0697 9.4141 9.4141 9.4774 9.4774 9.7854 9.7854 9.9894 9.9894 11.5534 11.5534 12.2482 12.2482 13.5280 13.5280 13.9342 13.9342 15.4424 15.4424 k = 0.6929 0.2231-0.0608 ( 4158 PWs) bands (ev): -64.6694 -64.6694 -64.6663 -64.6663 -31.6150 -31.6150 -31.6082 -31.6082 -31.3395 -31.3395 -31.3271 -31.3271 -31.3164 -31.3164 -31.3081 -31.3081 1.9553 1.9553 4.3117 4.3117 5.2379 5.2379 5.6820 5.6820 7.1236 7.1236 7.4099 7.4099 8.0171 8.0171 8.3027 8.3027 8.3542 8.3542 8.3855 8.3855 8.4813 8.4813 8.8122 8.8122 8.9103 8.9103 9.0657 9.0657 9.0841 9.0841 9.4221 9.4221 9.4841 9.4841 9.7968 9.7968 9.9873 9.9873 11.4888 11.4888 12.2615 12.2615 13.5722 13.5722 13.9360 13.9360 15.3169 15.3169 k = 0.6852 0.2267-0.0491 ( 4162 PWs) bands (ev): -64.6694 -64.6694 -64.6663 -64.6663 -31.6149 -31.6149 -31.6084 -31.6084 -31.3394 -31.3394 -31.3274 -31.3274 -31.3162 -31.3162 -31.3081 -31.3081 1.9641 1.9641 4.2583 4.2583 5.2608 5.2608 5.7275 5.7275 7.0902 7.0902 7.3889 7.3889 8.0129 8.0129 8.2940 8.2940 8.3510 8.3510 8.3962 8.3962 8.5025 8.5025 8.8073 8.8073 8.9335 8.9335 9.0709 9.0709 9.1096 9.1096 9.4300 9.4300 9.4909 9.4909 9.8077 9.8077 9.9851 9.9851 11.4262 11.4262 12.2704 12.2704 13.6230 13.6230 13.9170 13.9170 15.2167 15.2167 k = 0.6775 0.2304-0.0374 ( 4160 PWs) bands (ev): -64.6693 -64.6693 -64.6664 -64.6664 -31.6147 -31.6147 -31.6086 -31.6086 -31.3393 -31.3393 -31.3276 -31.3276 -31.3160 -31.3160 -31.3082 -31.3082 1.9710 1.9710 4.2055 4.2055 5.2881 5.2881 5.7725 5.7725 7.0579 7.0579 7.3692 7.3692 8.0090 8.0090 8.2808 8.2808 8.3480 8.3480 8.4101 8.4101 8.5235 8.5235 8.8016 8.8016 8.9574 8.9574 9.0773 9.0773 9.1370 9.1370 9.4378 9.4378 9.4980 9.4980 9.8182 9.8182 9.9827 9.9827 11.3657 11.3657 12.2752 12.2752 13.6797 13.6797 13.8739 13.8739 15.1449 15.1449 k = 0.6698 0.2341-0.0258 ( 4156 PWs) bands (ev): -64.6693 -64.6693 -64.6664 -64.6664 -31.6146 -31.6146 -31.6087 -31.6087 -31.3391 -31.3391 -31.3279 -31.3279 -31.3158 -31.3158 -31.3083 -31.3083 1.9763 1.9763 4.1538 4.1538 5.3198 5.3198 5.8166 5.8166 7.0269 7.0269 7.3506 7.3506 8.0055 8.0055 8.2652 8.2652 8.3462 8.3462 8.4241 8.4241 8.5438 8.5438 8.7955 8.7955 8.9819 8.9819 9.0858 9.0858 9.1651 9.1651 9.4454 9.4454 9.5053 9.5053 9.8280 9.8280 9.9802 9.9802 11.3073 11.3073 12.2764 12.2764 13.7415 13.7415 13.8062 13.8062 15.1021 15.1021 k = 0.6621 0.2378-0.0141 ( 4158 PWs) bands (ev): -64.6693 -64.6693 -64.6664 -64.6664 -31.6144 -31.6144 -31.6089 -31.6089 -31.3390 -31.3390 -31.3281 -31.3281 -31.3156 -31.3156 -31.3083 -31.3083 1.9800 1.9800 4.1034 4.1034 5.3554 5.3554 5.8593 5.8593 6.9972 6.9972 7.3334 7.3334 8.0023 8.0023 8.2484 8.2484 8.3457 8.3457 8.4370 8.4370 8.5632 8.5632 8.7894 8.7894 9.0068 9.0068 9.0965 9.0965 9.1936 9.1936 9.4530 9.4530 9.5127 9.5127 9.8372 9.8372 9.9775 9.9775 11.2511 11.2511 12.2742 12.2742 13.7167 13.7167 13.8078 13.8078 15.0852 15.0852 k = 0.6543 0.2415-0.0024 ( 4156 PWs) bands (ev): -64.6692 -64.6692 -64.6665 -64.6665 -31.6143 -31.6143 -31.6090 -31.6090 -31.3389 -31.3389 -31.3284 -31.3284 -31.3154 -31.3154 -31.3084 -31.3084 1.9822 1.9822 4.0544 4.0544 5.3947 5.3947 5.9000 5.9000 6.9689 6.9689 7.3173 7.3173 7.9995 7.9995 8.2312 8.2312 8.3466 8.3466 8.4482 8.4482 8.5816 8.5816 8.7834 8.7834 9.0321 9.0321 9.1094 9.1094 9.2219 9.2219 9.4606 9.4606 9.5203 9.5203 9.8458 9.8458 9.9747 9.9747 11.1971 11.1971 12.2691 12.2691 13.6106 13.6106 13.8775 13.8775 15.0892 15.0892 k = 0.6466 0.2452 0.0093 ( 4164 PWs) bands (ev): -64.6692 -64.6692 -64.6665 -64.6665 -31.6142 -31.6142 -31.6092 -31.6092 -31.3388 -31.3388 -31.3286 -31.3286 -31.3152 -31.3152 -31.3085 -31.3085 1.9831 1.9831 4.0072 4.0072 5.4373 5.4373 5.9386 5.9386 6.9421 6.9421 7.3026 7.3026 7.9971 7.9971 8.2138 8.2138 8.3487 8.3487 8.4574 8.4574 8.5989 8.5989 8.7777 8.7777 9.0579 9.0579 9.1245 9.1245 9.2499 9.2499 9.4681 9.4681 9.5279 9.5279 9.8537 9.8537 9.9718 9.9718 11.1453 11.1453 12.2614 12.2614 13.4932 13.4932 13.9497 13.9497 15.1084 15.1084 k = 0.6389 0.2489 0.0209 ( 4160 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6140 -31.6140 -31.6093 -31.6093 -31.3386 -31.3386 -31.3289 -31.3289 -31.3150 -31.3150 -31.3086 -31.3086 1.9828 1.9828 3.9618 3.9618 5.4830 5.4830 5.9746 5.9746 6.9168 6.9168 7.2891 7.2891 7.9952 7.9952 8.1966 8.1966 8.3520 8.3520 8.4645 8.4645 8.6150 8.6150 8.7723 8.7723 9.0842 9.0842 9.1418 9.1418 9.2773 9.2773 9.4757 9.4757 9.5357 9.5357 9.8609 9.8609 9.9688 9.9688 11.0957 11.0957 12.2514 12.2514 13.3691 13.3691 14.0233 14.0233 15.1382 15.1382 k = 0.6312 0.2526 0.0326 ( 4168 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6139 -31.6139 -31.6095 -31.6095 -31.3385 -31.3385 -31.3291 -31.3291 -31.3148 -31.3148 -31.3087 -31.3087 1.9814 1.9814 3.9184 3.9184 5.5312 5.5312 6.0080 6.0080 6.8932 6.8932 7.2769 7.2769 7.9937 7.9937 8.1797 8.1797 8.3561 8.3561 8.4694 8.4694 8.6298 8.6298 8.7674 8.7674 9.1109 9.1109 9.1612 9.1612 9.3039 9.3039 9.4834 9.4834 9.5436 9.5436 9.8673 9.8673 9.9656 9.9656 11.0482 11.0482 12.2393 12.2393 13.2420 13.2420 14.0968 14.0968 15.1744 15.1744 k = 0.6235 0.2562 0.0443 ( 4172 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6138 -31.6138 -31.6096 -31.6096 -31.3383 -31.3383 -31.3294 -31.3294 -31.3146 -31.3146 -31.3088 -31.3088 1.9792 1.9792 3.8771 3.8771 5.5815 5.5815 6.0384 6.0384 6.8712 6.8712 7.2659 7.2659 7.9926 7.9926 8.1634 8.1634 8.3611 8.3611 8.4719 8.4719 8.6434 8.6434 8.7631 8.7631 9.1382 9.1382 9.1827 9.1827 9.3294 9.3294 9.4914 9.4914 9.5516 9.5516 9.8730 9.8730 9.9623 9.9623 11.0026 11.0026 12.2252 12.2252 13.1147 13.1147 14.1683 14.1683 15.2140 15.2140 k = 0.6158 0.2599 0.0559 ( 4170 PWs) bands (ev): -64.6691 -64.6691 -64.6667 -64.6667 -31.6137 -31.6137 -31.6097 -31.6097 -31.3382 -31.3382 -31.3297 -31.3297 -31.3144 -31.3144 -31.3089 -31.3089 1.9762 1.9762 3.8379 3.8379 5.6336 5.6336 6.0658 6.0658 6.8510 6.8510 7.2560 7.2560 7.9920 7.9920 8.1476 8.1476 8.3666 8.3666 8.4720 8.4720 8.6558 8.6558 8.7595 8.7595 9.1661 9.1661 9.2059 9.2059 9.3536 9.3536 9.4997 9.4997 9.5597 9.5597 9.8780 9.8780 9.9588 9.9588 10.9590 10.9590 12.2093 12.2093 12.9893 12.9893 14.2351 14.2351 15.2526 15.2526 k = 0.6080 0.2636 0.0676 ( 4164 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6135 -31.6135 -31.6098 -31.6098 -31.3380 -31.3380 -31.3299 -31.3299 -31.3142 -31.3142 -31.3089 -31.3089 1.9727 1.9727 3.8010 3.8010 5.6867 5.6867 6.0902 6.0902 6.8324 6.8324 7.2473 7.2473 7.9919 7.9919 8.1326 8.1326 8.3724 8.3724 8.4698 8.4698 8.6668 8.6668 8.7564 8.7564 9.1944 9.1944 9.2307 9.2307 9.3762 9.3762 9.5086 9.5086 9.5681 9.5681 9.8823 9.8823 9.9551 9.9551 10.9173 10.9173 12.1919 12.1919 12.8673 12.8673 14.2930 14.2930 15.1876 15.1876 k = 0.6003 0.2673 0.0793 ( 4158 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6134 -31.6134 -31.6099 -31.6099 -31.3379 -31.3379 -31.3301 -31.3301 -31.3140 -31.3140 -31.3090 -31.3090 1.9687 1.9687 3.7663 3.7663 5.7405 5.7405 6.1117 6.1117 6.8155 6.8155 7.2396 7.2396 7.9922 7.9922 8.1183 8.1183 8.3783 8.3783 8.4652 8.4652 8.6766 8.6766 8.7541 8.7541 9.2233 9.2233 9.2568 9.2568 9.3971 9.3971 9.5182 9.5182 9.5768 9.5768 9.8857 9.8857 9.9513 9.9513 10.8772 10.8772 12.1731 12.1731 12.7500 12.7500 14.3365 14.3365 15.1168 15.1168 k = 0.5926 0.2710 0.0910 ( 4162 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6133 -31.6133 -31.6100 -31.6100 -31.3377 -31.3377 -31.3304 -31.3304 -31.3138 -31.3138 -31.3091 -31.3091 1.9645 1.9645 3.7341 3.7341 5.7944 5.7944 6.1302 6.1302 6.8004 6.8004 7.2329 7.2329 7.9931 7.9931 8.1049 8.1049 8.3842 8.3842 8.4583 8.4583 8.6851 8.6851 8.7524 8.7524 9.2525 9.2525 9.2836 9.2836 9.4160 9.4160 9.5289 9.5289 9.5858 9.5858 9.8883 9.8883 9.9471 9.9471 10.8387 10.8387 12.1529 12.1529 12.6385 12.6385 14.3590 14.3590 15.0741 15.0741 k = 0.5849 0.2747 0.1026 ( 4162 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6133 -31.6133 -31.6101 -31.6101 -31.3375 -31.3375 -31.3306 -31.3306 -31.3136 -31.3136 -31.3093 -31.3093 1.9601 1.9601 3.7042 3.7042 5.8477 5.8477 6.1460 6.1460 6.7868 6.7868 7.2271 7.2271 7.9945 7.9945 8.0924 8.0924 8.3898 8.3898 8.4494 8.4494 8.6925 8.6925 8.7515 8.7515 9.2819 9.2819 9.3107 9.3107 9.4326 9.4326 9.5410 9.5410 9.5955 9.5955 9.8899 9.8899 9.9427 9.9427 10.8017 10.8017 12.1318 12.1318 12.5337 12.5337 14.3564 14.3564 15.0634 15.0634 k = 0.5772 0.2784 0.1143 ( 4168 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6132 -31.6132 -31.6102 -31.6102 -31.3374 -31.3374 -31.3309 -31.3309 -31.3134 -31.3134 -31.3094 -31.3094 1.9557 1.9557 3.6768 3.6768 5.8998 5.8998 6.1593 6.1593 6.7748 6.7748 7.2221 7.2221 7.9964 7.9964 8.0809 8.0809 8.3950 8.3950 8.4386 8.4386 8.6987 8.6987 8.7512 8.7512 9.3111 9.3111 9.3374 9.3374 9.4470 9.4470 9.5548 9.5548 9.6058 9.6058 9.8905 9.8905 9.9378 9.9378 10.7662 10.7662 12.1098 12.1098 12.4363 12.4363 14.3312 14.3312 15.0823 15.0823 k = 0.5695 0.2821 0.1260 ( 4164 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6131 -31.6131 -31.6103 -31.6103 -31.3372 -31.3372 -31.3311 -31.3311 -31.3132 -31.3132 -31.3095 -31.3095 1.9513 1.9513 3.6520 3.6520 5.9500 5.9500 6.1703 6.1703 6.7643 6.7643 7.2179 7.2179 7.9988 7.9988 8.0703 8.0703 8.3997 8.3997 8.4262 8.4262 8.7039 8.7039 8.7515 8.7515 9.3397 9.3397 9.3631 9.3631 9.4590 9.4590 9.5707 9.5707 9.6170 9.6170 9.8899 9.8899 9.9324 9.9324 10.7323 10.7323 12.0873 12.0873 12.3469 12.3469 14.2904 14.2904 15.1231 15.1231 k = 0.5617 0.2857 0.1376 ( 4164 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6130 -31.6130 -31.6103 -31.6103 -31.3371 -31.3371 -31.3313 -31.3313 -31.3131 -31.3131 -31.3096 -31.3096 1.9472 1.9472 3.6296 3.6296 5.9976 5.9976 6.1792 6.1792 6.7552 6.7552 7.2144 7.2144 8.0017 8.0017 8.0608 8.0608 8.4031 8.4031 8.4133 8.4133 8.7081 8.7081 8.7522 8.7522 9.3669 9.3669 9.3871 9.3871 9.4690 9.4690 9.5888 9.5888 9.6293 9.6293 9.8882 9.8882 9.9264 9.9264 10.7001 10.7001 12.0646 12.0646 12.2662 12.2662 14.2422 14.2422 15.1771 15.1771 k = 0.5540 0.2894 0.1493 ( 4160 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6130 -31.6130 -31.6104 -31.6104 -31.3369 -31.3369 -31.3315 -31.3315 -31.3129 -31.3129 -31.3097 -31.3097 1.9433 1.9433 3.6098 3.6098 6.0420 6.0420 6.1864 6.1864 6.7475 6.7475 7.2114 7.2114 8.0050 8.0050 8.0523 8.0523 8.3964 8.3964 8.4092 8.4092 8.7115 8.7115 8.7533 8.7533 9.3921 9.3921 9.4088 9.4088 9.4771 9.4771 9.6089 9.6089 9.6428 9.6428 9.8851 9.8851 9.9196 9.9196 10.6699 10.6699 12.0423 12.0423 12.1946 12.1946 14.1925 14.1925 15.2375 15.2375 k = 0.5463 0.2931 0.1610 ( 4162 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6129 -31.6129 -31.6105 -31.6105 -31.3368 -31.3368 -31.3317 -31.3317 -31.3127 -31.3127 -31.3098 -31.3098 1.9397 1.9397 3.5926 3.5926 6.0823 6.0823 6.1920 6.1920 6.7409 6.7409 7.2090 7.2090 8.0086 8.0086 8.0449 8.0449 8.3822 8.3822 8.4118 8.4118 8.7142 8.7142 8.7546 8.7546 9.4143 9.4143 9.4281 9.4281 9.4836 9.4836 9.6307 9.6307 9.6576 9.6576 9.8806 9.8806 9.9119 9.9119 10.6419 10.6419 12.0207 12.0207 12.1325 12.1325 14.1451 14.1451 15.2992 15.2992 k = 0.5386 0.2968 0.1726 ( 4156 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6129 -31.6129 -31.6105 -31.6105 -31.3367 -31.3367 -31.3318 -31.3318 -31.3126 -31.3126 -31.3099 -31.3099 1.9366 1.9366 3.5781 3.5781 6.1179 6.1179 6.1963 6.1963 6.7356 6.7356 7.2070 7.2070 8.0123 8.0123 8.0387 8.0387 8.3680 8.3680 8.4142 8.4142 8.7163 8.7163 8.7560 8.7560 9.4326 9.4326 9.4451 9.4451 9.4889 9.4889 9.6535 9.6535 9.6734 9.6734 9.8747 9.8747 9.9032 9.9032 10.6168 10.6168 12.0002 12.0002 12.0805 12.0805 14.1025 14.1025 15.3584 15.3584 k = 0.5309 0.3005 0.1843 ( 4160 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6128 -31.6128 -31.6105 -31.6105 -31.3366 -31.3366 -31.3320 -31.3320 -31.3124 -31.3124 -31.3100 -31.3100 1.9340 1.9340 3.5661 3.5661 6.1481 6.1481 6.1995 6.1995 6.7313 6.7313 7.2055 7.2055 8.0160 8.0160 8.0335 8.0335 8.3549 8.3549 8.4162 8.4162 8.7179 8.7179 8.7572 8.7572 9.4463 9.4463 9.4600 9.4600 9.4931 9.4931 9.6764 9.6764 9.6897 9.6897 9.8676 9.8676 9.8937 9.8937 10.5950 10.5950 11.9812 11.9812 12.0390 12.0390 14.0664 14.0664 15.4118 15.4118 k = 0.5232 0.3042 0.1960 ( 4154 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6128 -31.6128 -31.6106 -31.6106 -31.3365 -31.3365 -31.3321 -31.3321 -31.3123 -31.3123 -31.3101 -31.3101 1.9319 1.9319 3.5568 3.5568 6.1723 6.1723 6.2018 6.2018 6.7280 6.7280 7.2043 7.2043 8.0193 8.0193 8.0296 8.0296 8.3436 8.3436 8.4178 8.4178 8.7191 8.7191 8.7583 8.7583 9.4559 9.4559 9.4723 9.4723 9.4962 9.4962 9.6980 9.6980 9.7057 9.7057 9.8596 9.8596 9.8839 9.8839 10.5773 10.5773 11.9639 11.9639 12.0083 12.0083 14.0375 14.0375 15.4564 15.4564 k = 0.5154 0.3079 0.2077 ( 4150 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3364 -31.3364 -31.3322 -31.3322 -31.3122 -31.3122 -31.3101 -31.3101 1.9304 1.9304 3.5501 3.5501 6.1899 6.1899 6.2035 6.2035 6.7257 6.7257 7.2035 7.2035 8.0219 8.0219 8.0268 8.0268 8.3348 8.3348 8.4188 8.4188 8.7199 8.7199 8.7592 8.7592 9.4623 9.4623 9.4812 9.4812 9.4985 9.4985 9.7166 9.7166 9.7197 9.7197 9.8514 9.8514 9.8747 9.8747 10.5641 10.5641 11.9493 11.9493 11.9882 11.9882 14.0165 14.0165 15.4890 15.4890 k = 0.5077 0.3116 0.2193 ( 4150 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3363 -31.3363 -31.3323 -31.3323 -31.3122 -31.3122 -31.3101 -31.3101 1.9295 1.9295 3.5461 3.5461 6.2003 6.2003 6.2047 6.2047 6.7244 6.7244 7.2030 7.2030 8.0232 8.0232 8.0256 8.0256 8.3293 8.3293 8.4195 8.4195 8.7203 8.7203 8.7597 8.7597 9.4660 9.4660 9.4866 9.4866 9.4999 9.4999 9.7294 9.7294 9.7302 9.7302 9.8449 9.8449 9.8678 9.8678 10.5559 10.5559 11.9394 11.9394 11.9771 11.9771 14.0038 14.0038 15.5067 15.5067 k = 0.5000 0.3152 0.2310 ( 4152 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3363 -31.3363 -31.3323 -31.3323 -31.3122 -31.3122 -31.3102 -31.3102 1.9292 1.9292 3.5448 3.5448 6.2030 6.2030 6.2059 6.2059 6.7239 6.7239 7.2029 7.2029 8.0233 8.0233 8.0255 8.0255 8.3274 8.3274 8.4197 8.4197 8.7205 8.7205 8.7598 8.7598 9.4672 9.4672 9.4884 9.4884 9.5004 9.5004 9.7333 9.7333 9.7350 9.7350 9.8422 9.8422 9.8651 9.8651 10.5532 10.5532 11.9359 11.9359 11.9736 11.9736 13.9995 13.9995 15.5112 15.5112 k = 0.5000 0.3152 0.2310 ( 4152 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3363 -31.3363 -31.3323 -31.3323 -31.3122 -31.3122 -31.3102 -31.3102 1.9292 1.9292 3.5448 3.5448 6.2030 6.2030 6.2059 6.2059 6.7239 6.7239 7.2029 7.2029 8.0233 8.0233 8.0255 8.0255 8.3274 8.3274 8.4197 8.4197 8.7205 8.7205 8.7598 8.7598 9.4672 9.4672 9.4884 9.4884 9.5004 9.5004 9.7333 9.7333 9.7350 9.7350 9.8422 9.8422 9.8651 9.8651 10.5532 10.5532 11.9359 11.9359 11.9736 11.9736 13.9995 13.9995 15.5111 15.5111 k = 0.4884 0.3079 0.2256 ( 4155 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6128 -31.6128 -31.6105 -31.6105 -31.3363 -31.3363 -31.3323 -31.3323 -31.3122 -31.3122 -31.3102 -31.3102 1.9224 1.9224 3.5534 3.5534 6.2042 6.2042 6.2071 6.2071 6.7221 6.7221 7.2026 7.2026 8.0232 8.0232 8.0255 8.0255 8.3220 8.3220 8.4291 8.4291 8.7177 8.7177 8.7570 8.7570 9.4672 9.4672 9.4884 9.4884 9.5005 9.5005 9.7330 9.7330 9.7349 9.7349 9.8466 9.8466 9.8693 9.8693 10.5532 10.5532 11.9339 11.9339 11.9716 11.9716 14.0001 14.0001 15.5055 15.5055 k = 0.4767 0.3006 0.2203 ( 4155 PWs) bands (ev): -64.6688 -64.6688 -64.6668 -64.6668 -31.6130 -31.6130 -31.6103 -31.6103 -31.3364 -31.3364 -31.3323 -31.3323 -31.3122 -31.3122 -31.3102 -31.3102 1.9022 1.9022 3.5787 3.5787 6.2077 6.2077 6.2107 6.2107 6.7168 6.7168 7.2019 7.2019 8.0230 8.0230 8.0253 8.0253 8.3101 8.3101 8.4530 8.4530 8.7093 8.7093 8.7486 8.7486 9.4673 9.4673 9.4885 9.4885 9.5006 9.5006 9.7322 9.7322 9.7348 9.7348 9.8593 9.8593 9.8816 9.8816 10.5532 10.5532 11.9282 11.9282 11.9656 11.9656 14.0017 14.0017 15.4888 15.4888 k = 0.4651 0.2932 0.2149 ( 4152 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6133 -31.6133 -31.6100 -31.6100 -31.3364 -31.3364 -31.3322 -31.3322 -31.3121 -31.3121 -31.3102 -31.3102 1.8701 1.8701 3.6195 3.6195 6.2136 6.2136 6.2166 6.2166 6.7079 6.7079 7.2009 7.2009 8.0226 8.0226 8.0249 8.0249 8.2971 8.2971 8.4857 8.4857 8.6957 8.6957 8.7350 8.7350 9.4675 9.4675 9.4885 9.4885 9.5009 9.5009 9.7313 9.7313 9.7347 9.7347 9.8798 9.8798 9.9016 9.9016 10.5532 10.5532 11.9186 11.9186 11.9557 11.9557 14.0044 14.0044 15.4616 15.4616 k = 0.4535 0.2859 0.2095 ( 4151 PWs) bands (ev): -64.6689 -64.6689 -64.6667 -64.6667 -31.6137 -31.6137 -31.6096 -31.6096 -31.3365 -31.3365 -31.3322 -31.3322 -31.3120 -31.3120 -31.3103 -31.3103 1.8277 1.8277 3.6740 3.6740 6.2219 6.2219 6.2249 6.2249 6.6957 6.6957 7.1998 7.1998 8.0221 8.0221 8.0245 8.0245 8.2851 8.2851 8.5245 8.5245 8.6775 8.6775 8.7172 8.7172 9.4678 9.4678 9.4886 9.4886 9.5013 9.5013 9.7303 9.7303 9.7346 9.7346 9.9072 9.9072 9.9285 9.9285 10.5532 10.5532 11.9053 11.9053 11.9418 11.9418 14.0081 14.0081 15.4249 15.4249 k = 0.4419 0.2786 0.2041 ( 4157 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6141 -31.6141 -31.6093 -31.6093 -31.3366 -31.3366 -31.3322 -31.3322 -31.3120 -31.3120 -31.3103 -31.3103 1.7768 1.7768 3.7403 3.7403 6.2325 6.2325 6.2356 6.2356 6.6802 6.6802 7.1988 7.1988 8.0214 8.0214 8.0239 8.0239 8.2749 8.2749 8.5678 8.5678 8.6554 8.6554 8.6961 8.6961 9.4682 9.4682 9.4887 9.4887 9.5019 9.5019 9.7295 9.7295 9.7344 9.7344 9.9407 9.9407 9.9617 9.9617 10.5533 10.5533 11.8883 11.8883 11.9241 11.9241 14.0127 14.0127 15.3799 15.3799 k = 0.4302 0.2713 0.1988 ( 4178 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6145 -31.6145 -31.6089 -31.6089 -31.3368 -31.3368 -31.3321 -31.3321 -31.3119 -31.3119 -31.3104 -31.3104 1.7193 1.7193 3.8166 3.8166 6.2454 6.2454 6.2486 6.2486 6.6618 6.6618 7.1981 7.1981 8.0205 8.0205 8.0231 8.0231 8.2666 8.2666 8.6117 8.6117 8.6300 8.6300 8.6761 8.6761 9.4686 9.4686 9.4888 9.4888 9.5026 9.5026 9.7288 9.7288 9.7343 9.7343 9.9795 9.9795 10.0002 10.0002 10.5533 10.5533 11.8676 11.8676 11.9026 11.9026 14.0182 14.0182 15.3281 15.3281 k = 0.4186 0.2639 0.1934 ( 4178 PWs) bands (ev): -64.6692 -64.6692 -64.6665 -64.6665 -31.6149 -31.6149 -31.6085 -31.6085 -31.3369 -31.3369 -31.3320 -31.3320 -31.3118 -31.3118 -31.3105 -31.3105 1.6569 1.6569 3.9010 3.9010 6.2607 6.2607 6.2639 6.2639 6.6407 6.6407 7.1979 7.1979 8.0196 8.0196 8.0223 8.0223 8.2600 8.2600 8.6020 8.6020 8.6261 8.6261 8.6873 8.6873 9.4691 9.4691 9.4889 9.4889 9.5035 9.5035 9.7282 9.7282 9.7342 9.7342 10.0227 10.0227 10.0431 10.0431 10.5533 10.5533 11.8436 11.8436 11.8775 11.8775 14.0244 14.0244 15.2707 15.2707 k = 0.4070 0.2566 0.1880 ( 4154 PWs) bands (ev): -64.6693 -64.6693 -64.6664 -64.6664 -31.6152 -31.6152 -31.6081 -31.6081 -31.3369 -31.3369 -31.3320 -31.3320 -31.3116 -31.3116 -31.3105 -31.3105 1.5909 1.5909 3.9922 3.9922 6.2782 6.2782 6.2816 6.2816 6.6173 6.6173 7.1984 7.1984 8.0184 8.0184 8.0213 8.0213 8.2551 8.2551 8.5720 8.5720 8.6026 8.6026 8.7386 8.7386 9.4697 9.4697 9.4891 9.4891 9.5045 9.5045 9.7277 9.7277 9.7341 9.7341 10.0696 10.0696 10.0897 10.0897 10.5534 10.5534 11.8162 11.8162 11.8490 11.8490 14.0311 14.0311 15.2091 15.2091 k = 0.3953 0.2493 0.1827 ( 4148 PWs) bands (ev): -64.6694 -64.6694 -64.6663 -64.6663 -31.6155 -31.6155 -31.6076 -31.6076 -31.3371 -31.3371 -31.3318 -31.3318 -31.3115 -31.3115 -31.3106 -31.3106 1.5224 1.5224 4.0889 4.0889 6.2979 6.2979 6.3016 6.3016 6.5920 6.5920 7.1997 7.1997 8.0171 8.0171 8.0202 8.0202 8.2515 8.2515 8.5406 8.5406 8.5725 8.5725 8.7988 8.7988 9.4704 9.4704 9.4893 9.4893 9.5057 9.5057 9.7272 9.7272 9.7340 9.7340 10.1193 10.1193 10.1391 10.1391 10.5534 10.5534 11.7860 11.7860 11.8173 11.8173 14.0382 14.0382 15.1446 15.1446 k = 0.3837 0.2419 0.1773 ( 4136 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6159 -31.6159 -31.6072 -31.6072 -31.3373 -31.3373 -31.3317 -31.3317 -31.3113 -31.3113 -31.3107 -31.3107 1.4525 1.4525 4.1901 4.1901 6.3198 6.3198 6.3239 6.3239 6.5652 6.5652 7.2018 7.2018 8.0157 8.0157 8.0190 8.0190 8.2492 8.2492 8.5083 8.5083 8.5406 8.5406 8.8635 8.8635 9.4711 9.4711 9.4894 9.4894 9.5070 9.5070 9.7268 9.7268 9.7340 9.7340 10.1710 10.1710 10.1904 10.1904 10.5535 10.5535 11.7532 11.7532 11.7829 11.7829 14.0452 14.0452 15.0783 15.0783 k = 0.3721 0.2346 0.1719 ( 4136 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6163 -31.6163 -31.6068 -31.6068 -31.3375 -31.3375 -31.3316 -31.3316 -31.3111 -31.3111 -31.3108 -31.3108 1.3817 1.3817 4.2948 4.2948 6.3437 6.3437 6.3485 6.3485 6.5374 6.5374 7.2048 7.2048 8.0141 8.0141 8.0177 8.0177 8.2479 8.2479 8.4755 8.4755 8.5079 8.5079 8.9318 8.9318 9.4719 9.4719 9.4896 9.4896 9.5084 9.5084 9.7265 9.7265 9.7339 9.7339 10.2239 10.2239 10.2427 10.2427 10.5536 10.5536 11.7184 11.7184 11.7464 11.7464 14.0518 14.0518 15.0111 15.0111 k = 0.3605 0.2273 0.1665 ( 4130 PWs) bands (ev): -64.6696 -64.6696 -64.6660 -64.6660 -31.6166 -31.6166 -31.6064 -31.6064 -31.3376 -31.3376 -31.3315 -31.3315 -31.3109 -31.3109 -31.3109 -31.3109 1.3108 1.3108 4.4024 4.4024 6.3691 6.3691 6.3753 6.3753 6.5094 6.5094 7.2087 7.2087 8.0123 8.0123 8.0163 8.0163 8.2474 8.2474 8.4425 8.4425 8.4749 8.4749 9.0033 9.0033 9.4728 9.4728 9.4897 9.4897 9.5100 9.5100 9.7261 9.7261 9.7339 9.7339 10.2769 10.2769 10.2948 10.2948 10.5537 10.5537 11.6824 11.6824 11.7083 11.7083 14.0574 14.0574 14.9440 14.9440 k = 0.3488 0.2199 0.1612 ( 4136 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6170 -31.6170 -31.6059 -31.6059 -31.3379 -31.3379 -31.3314 -31.3314 -31.3110 -31.3110 -31.3107 -31.3107 1.2401 1.2401 4.5122 4.5122 6.3946 6.3946 6.4044 6.4044 6.4830 6.4830 7.2134 7.2134 8.0103 8.0103 8.0147 8.0147 8.2476 8.2476 8.4096 8.4096 8.4421 8.4421 9.0775 9.0775 9.4738 9.4738 9.4898 9.4898 9.5117 9.5117 9.7258 9.7258 9.7338 9.7338 10.3289 10.3289 10.3457 10.3457 10.5538 10.5538 11.6463 11.6463 11.6698 11.6698 14.0613 14.0613 14.8776 14.8776 k = 0.3372 0.2126 0.1558 ( 4136 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6174 -31.6174 -31.6055 -31.6055 -31.3381 -31.3381 -31.3312 -31.3312 -31.3112 -31.3112 -31.3106 -31.3106 1.1702 1.1702 4.6234 4.6234 6.4123 6.4123 6.4356 6.4356 6.4664 6.4664 7.2190 7.2190 8.0081 8.0081 8.0130 8.0130 8.2482 8.2482 8.3771 8.3771 8.4100 8.4100 9.1543 9.1543 9.4750 9.4750 9.4899 9.4899 9.5135 9.5135 9.7255 9.7255 9.7338 9.7338 10.3785 10.3785 10.3938 10.3938 10.5539 10.5539 11.6113 11.6113 11.6321 11.6321 14.0626 14.0626 14.8110 14.8110 k = 0.3256 0.2053 0.1504 ( 4136 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6177 -31.6177 -31.6051 -31.6051 -31.3383 -31.3383 -31.3311 -31.3311 -31.3113 -31.3113 -31.3104 -31.3104 1.1012 1.1012 4.7357 4.7357 6.4028 6.4028 6.4691 6.4691 6.4794 6.4794 7.2254 7.2254 8.0056 8.0056 8.0112 8.0112 8.2490 8.2490 8.3453 8.3453 8.3790 8.3790 9.2330 9.2330 9.4765 9.4765 9.4900 9.4900 9.5154 9.5154 9.7252 9.7252 9.7339 9.7339 10.4239 10.4239 10.4373 10.4373 10.5540 10.5540 11.5793 11.5793 11.5969 11.5969 14.0600 14.0600 14.7455 14.7455 k = 0.3140 0.1979 0.1450 ( 4118 PWs) bands (ev): -64.6700 -64.6700 -64.6656 -64.6656 -31.6180 -31.6180 -31.6047 -31.6047 -31.3386 -31.3386 -31.3309 -31.3309 -31.3114 -31.3114 -31.3101 -31.3101 1.0335 1.0335 4.8484 4.8484 6.3784 6.3784 6.5047 6.5047 6.5099 6.5099 7.2326 7.2326 8.0028 8.0028 8.0093 8.0093 8.2492 8.2492 8.3144 8.3144 8.3498 8.3498 9.3130 9.3130 9.4790 9.4790 9.4900 9.4900 9.5174 9.5174 9.7248 9.7248 9.7340 9.7340 10.4631 10.4631 10.4740 10.4740 10.5541 10.5541 11.5524 11.5524 11.5664 11.5664 14.0521 14.0521 14.6821 14.6821 k = 0.3023 0.1906 0.1397 ( 4118 PWs) bands (ev): -64.6701 -64.6701 -64.6655 -64.6655 -31.6184 -31.6184 -31.6043 -31.6043 -31.3388 -31.3388 -31.3308 -31.3308 -31.3116 -31.3116 -31.3099 -31.3099 0.9673 0.9673 4.9608 4.9608 6.3516 6.3516 6.5424 6.5424 6.5458 6.5458 7.2406 7.2406 7.9997 7.9997 8.0072 8.0072 8.2475 8.2475 8.2845 8.2845 8.3239 8.3239 9.3912 9.3912 9.4852 9.4852 9.4899 9.4899 9.5197 9.5197 9.7245 9.7245 9.7343 9.7343 10.4935 10.4935 10.5014 10.5014 10.5541 10.5541 11.5334 11.5334 11.5431 11.5431 14.0373 14.0373 14.6209 14.6209 k = 0.2907 0.1833 0.1343 ( 4139 PWs) bands (ev): -64.6702 -64.6702 -64.6654 -64.6654 -31.6187 -31.6187 -31.6040 -31.6040 -31.3391 -31.3391 -31.3307 -31.3307 -31.3118 -31.3118 -31.3097 -31.3097 0.9027 0.9027 5.0724 5.0724 6.3251 6.3251 6.5821 6.5821 6.5848 6.5848 7.2494 7.2494 7.9962 7.9962 8.0048 8.0048 8.2413 8.2413 8.2560 8.2560 8.3042 8.3042 9.4490 9.4490 9.4896 9.4896 9.5116 9.5116 9.5237 9.5237 9.7241 9.7241 9.7349 9.7349 10.5125 10.5125 10.5172 10.5172 10.5539 10.5539 11.5246 11.5246 11.5298 11.5298 14.0137 14.0137 14.5622 14.5622 k = 0.2791 0.1759 0.1289 ( 4145 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6191 -31.6191 -31.6036 -31.6036 -31.3393 -31.3393 -31.3305 -31.3305 -31.3119 -31.3119 -31.3095 -31.3095 0.8400 0.8400 5.1824 5.1824 6.3001 6.3001 6.6238 6.6238 6.6261 6.6261 7.2589 7.2589 7.9920 7.9920 8.0022 8.0022 8.2278 8.2278 8.2291 8.2291 8.2935 8.2935 9.4650 9.4650 9.4893 9.4893 9.5232 9.5232 9.5854 9.5854 9.7237 9.7237 9.7363 9.7363 10.5179 10.5179 10.5195 10.5195 10.5533 10.5533 11.5284 11.5284 11.5288 11.5288 13.9802 13.9802 14.5060 14.5060 k = 0.2674 0.1686 0.1236 ( 4142 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6194 -31.6194 -31.6032 -31.6032 -31.3396 -31.3396 -31.3303 -31.3303 -31.3121 -31.3121 -31.3093 -31.3093 0.7792 0.7792 5.2899 5.2899 6.2772 6.2772 6.6675 6.6675 6.6695 6.6695 7.2692 7.2692 7.9872 7.9872 7.9992 7.9992 8.2041 8.2041 8.2085 8.2085 8.2905 8.2905 9.4688 9.4688 9.4888 9.4888 9.5256 9.5256 9.6661 9.6661 9.7232 9.7232 9.7414 9.7414 10.5066 10.5066 10.5084 10.5084 10.5529 10.5529 11.5418 11.5418 11.5460 11.5460 13.9359 13.9359 14.4523 14.4523 k = 0.2558 0.1613 0.1182 ( 4160 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6197 -31.6197 -31.6029 -31.6029 -31.3398 -31.3398 -31.3302 -31.3302 -31.3123 -31.3123 -31.3091 -31.3091 0.7204 0.7204 5.3936 5.3936 6.2576 6.2576 6.7130 6.7130 6.7149 6.7149 7.2804 7.2804 7.9814 7.9814 7.9956 7.9956 8.1812 8.1812 8.1873 8.1873 8.2914 8.2914 9.4702 9.4702 9.4880 9.4880 9.5280 9.5280 9.7185 9.7185 9.7227 9.7227 9.7789 9.7789 10.4788 10.4788 10.4840 10.4840 10.5530 10.5530 11.5688 11.5688 11.5770 11.5770 13.8811 13.8811 14.4012 14.4012 k = 0.2442 0.1540 0.1128 ( 4163 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6200 -31.6200 -31.6026 -31.6026 -31.3401 -31.3401 -31.3300 -31.3300 -31.3125 -31.3125 -31.3089 -31.3089 0.6638 0.6638 5.4922 5.4922 6.2424 6.2424 6.7603 6.7603 6.7622 6.7622 7.2924 7.2924 7.9746 7.9746 7.9914 7.9914 8.1608 8.1608 8.1664 8.1664 8.2943 8.2943 9.4706 9.4706 9.4870 9.4870 9.5303 9.5303 9.7221 9.7221 9.7269 9.7269 9.8626 9.8626 10.4377 10.4377 10.4460 10.4460 10.5531 10.5531 11.6089 11.6089 11.6206 11.6206 13.8169 13.8169 14.3524 14.3524 k = 0.2326 0.1466 0.1074 ( 4157 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6202 -31.6202 -31.6023 -31.6023 -31.3403 -31.3403 -31.3298 -31.3298 -31.3127 -31.3127 -31.3086 -31.3086 0.6095 0.6095 5.5833 5.5833 6.2335 6.2335 6.8092 6.8092 6.8111 6.8111 7.3053 7.3053 7.9665 7.9665 7.9863 7.9863 8.1432 8.1432 8.1471 8.1471 8.2982 8.2982 9.4703 9.4703 9.4856 9.4856 9.5326 9.5326 9.7214 9.7214 9.7287 9.7287 9.9544 9.9544 10.3856 10.3856 10.3964 10.3964 10.5533 10.5533 11.6604 11.6604 11.6747 11.6747 13.7451 13.7451 14.3058 14.3058 k = 0.2209 0.1393 0.1021 ( 4148 PWs) bands (ev): -64.6708 -64.6708 -64.6649 -64.6649 -31.6205 -31.6205 -31.6019 -31.6019 -31.3405 -31.3405 -31.3296 -31.3296 -31.3128 -31.3128 -31.3084 -31.3084 0.5575 0.5575 5.6642 5.6642 6.2333 6.2333 6.8597 6.8597 6.8617 6.8617 7.3192 7.3192 7.9571 7.9571 7.9800 7.9800 8.1286 8.1286 8.1302 8.1302 8.3026 8.3026 9.4694 9.4694 9.4838 9.4838 9.5349 9.5349 9.7206 9.7206 9.7293 9.7293 10.0485 10.0485 10.3246 10.3246 10.3375 10.3375 10.5535 10.5535 11.7212 11.7212 11.7376 11.7376 13.6676 13.6676 14.2612 14.2612 k = 0.2093 0.1320 0.0967 ( 4136 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6207 -31.6207 -31.6016 -31.6016 -31.3407 -31.3407 -31.3294 -31.3294 -31.3130 -31.3130 -31.3082 -31.3082 0.5078 0.5078 5.7315 5.7315 6.2447 6.2447 6.9116 6.9116 6.9137 6.9137 7.3343 7.3343 7.9462 7.9462 7.9723 7.9723 8.1162 8.1162 8.1171 8.1171 8.3072 8.3072 9.4677 9.4677 9.4813 9.4813 9.5371 9.5371 9.7195 9.7195 9.7296 9.7296 10.1437 10.1437 10.2570 10.2570 10.2715 10.2715 10.5536 10.5536 11.7896 11.7896 11.8075 11.8075 13.5864 13.5864 14.2184 14.2184 k = 0.1977 0.1246 0.0913 ( 4151 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6209 -31.6209 -31.6013 -31.6013 -31.3410 -31.3410 -31.3293 -31.3293 -31.3132 -31.3132 -31.3081 -31.3081 0.4606 0.4606 5.7822 5.7822 6.2703 6.2703 6.9647 6.9647 6.9669 6.9669 7.3506 7.3506 7.9342 7.9342 7.9631 7.9631 8.1055 8.1055 8.1087 8.1087 8.3119 8.3119 9.4652 9.4652 9.4779 9.4779 9.5393 9.5393 9.7181 9.7181 9.7297 9.7297 10.1820 10.1820 10.2005 10.2005 10.2422 10.2422 10.5538 10.5538 11.8639 11.8639 11.8828 11.8828 13.5029 13.5029 14.1770 14.1770 k = 0.1860 0.1173 0.0860 ( 4151 PWs) bands (ev): -64.6710 -64.6710 -64.6647 -64.6647 -31.6212 -31.6212 -31.6011 -31.6011 -31.3412 -31.3412 -31.3291 -31.3291 -31.3134 -31.3134 -31.3079 -31.3079 0.4159 0.4159 5.8156 5.8156 6.3101 6.3101 7.0188 7.0188 7.0211 7.0211 7.3683 7.3683 7.9213 7.9213 7.9526 7.9526 8.0982 8.0982 8.1033 8.1033 8.3166 8.3166 9.4616 9.4616 9.4733 9.4733 9.5414 9.5414 9.7162 9.7162 9.7296 9.7296 10.1066 10.1066 10.1265 10.1265 10.3381 10.3381 10.5541 10.5541 11.9429 11.9429 11.9626 11.9626 13.4187 13.4187 14.1368 14.1368 k = 0.1744 0.1100 0.0806 ( 4151 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6214 -31.6214 -31.6008 -31.6008 -31.3414 -31.3414 -31.3289 -31.3289 -31.3136 -31.3136 -31.3077 -31.3077 0.3737 0.3737 5.8341 5.8341 6.3614 6.3614 7.0737 7.0737 7.0761 7.0761 7.3875 7.3875 7.9078 7.9078 7.9411 7.9411 8.0942 8.0942 8.1007 8.1007 8.3212 8.3212 9.4563 9.4563 9.4670 9.4670 9.5435 9.5435 9.7136 9.7136 9.7294 9.7294 10.0285 10.0285 10.0513 10.0513 10.4348 10.4348 10.5547 10.5547 12.0255 12.0255 12.0457 12.0457 13.3348 13.3348 14.0975 14.0975 k = 0.1628 0.1026 0.0752 ( 4151 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6216 -31.6216 -31.6005 -31.6005 -31.3416 -31.3416 -31.3287 -31.3287 -31.3138 -31.3138 -31.3075 -31.3075 0.3340 0.3340 5.8416 5.8416 6.4197 6.4197 7.1291 7.1291 7.1315 7.1315 7.4083 7.4083 7.8941 7.8941 7.9289 7.9289 8.0934 8.0934 8.1010 8.1010 8.3256 8.3256 9.4486 9.4486 9.4580 9.4580 9.5454 9.5454 9.7097 9.7097 9.7289 9.7289 9.9504 9.9504 9.9774 9.9774 10.5279 10.5279 10.5588 10.5588 12.1109 12.1109 12.1315 12.1315 13.2521 13.2521 14.0588 14.0588 k = 0.1512 0.0953 0.0698 ( 4154 PWs) bands (ev): -64.6712 -64.6712 -64.6645 -64.6645 -31.6218 -31.6218 -31.6003 -31.6003 -31.3418 -31.3418 -31.3285 -31.3285 -31.3139 -31.3139 -31.3073 -31.3073 0.2970 0.2970 5.8419 5.8419 6.4806 6.4806 7.1845 7.1845 7.1870 7.1870 7.4308 7.4308 7.8805 7.8805 7.9165 7.9165 8.0958 8.0958 8.1039 8.1039 8.3296 8.3296 9.4374 9.4374 9.4452 9.4452 9.5473 9.5473 9.7035 9.7035 9.7279 9.7279 9.8744 9.8744 9.9078 9.9078 10.5520 10.5520 10.6314 10.6314 12.1984 12.1984 12.2191 12.2191 13.1714 13.1714 14.0203 14.0203 k = 0.1395 0.0880 0.0645 ( 4160 PWs) bands (ev): -64.6713 -64.6713 -64.6645 -64.6645 -31.6219 -31.6219 -31.6001 -31.6001 -31.3420 -31.3420 -31.3283 -31.3283 -31.3141 -31.3141 -31.3072 -31.3072 0.2626 0.2626 5.8378 5.8378 6.5410 6.5410 7.2395 7.2395 7.2421 7.2421 7.4550 7.4550 7.8673 7.8673 7.9043 7.9043 8.1012 8.1012 8.1097 8.1097 8.3333 8.3333 9.4206 9.4206 9.4263 9.4263 9.5490 9.5490 9.6929 9.6929 9.7251 9.7251 9.8045 9.8045 9.8474 9.8474 10.5530 10.5530 10.7261 10.7261 12.2874 12.2874 12.3081 12.3081 13.0934 13.0934 13.9818 13.9818 k = 0.1279 0.0806 0.0591 ( 4148 PWs) bands (ev): -64.6713 -64.6713 -64.6644 -64.6644 -31.6221 -31.6221 -31.5999 -31.5999 -31.3422 -31.3422 -31.3281 -31.3281 -31.3143 -31.3143 -31.3071 -31.3071 0.2309 0.2309 5.8312 5.8312 6.5985 6.5985 7.2937 7.2937 7.2962 7.2962 7.4808 7.4808 7.8547 7.8547 7.8927 7.8927 8.1099 8.1099 8.1185 8.1185 8.3365 8.3365 9.3956 9.3956 9.3988 9.3988 9.5506 9.5506 9.6755 9.6755 9.7119 9.7119 9.7526 9.7526 9.8020 9.8020 10.5533 10.5533 10.8198 10.8198 12.3772 12.3772 12.3980 12.3980 13.0185 13.0185 13.9429 13.9429 k = 0.1163 0.0733 0.0537 ( 4160 PWs) bands (ev): -64.6714 -64.6714 -64.6644 -64.6644 -31.6223 -31.6223 -31.5997 -31.5997 -31.3423 -31.3423 -31.3280 -31.3280 -31.3144 -31.3144 -31.3069 -31.3069 0.2018 0.2018 5.8233 5.8233 6.6517 6.6517 7.3462 7.3462 7.3487 7.3487 7.5079 7.5079 7.8428 7.8428 7.8817 7.8817 8.1222 8.1222 8.1307 8.1307 8.3392 8.3392 9.3593 9.3593 9.3599 9.3599 9.5521 9.5521 9.6516 9.6516 9.6731 9.6731 9.7377 9.7377 9.7742 9.7742 10.5535 10.5535 10.9114 10.9114 12.4674 12.4674 12.4880 12.4880 12.9474 12.9474 13.9031 13.9031 k = 0.1047 0.0660 0.0483 ( 4166 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6224 -31.6224 -31.5995 -31.5995 -31.3425 -31.3425 -31.3278 -31.3278 -31.3146 -31.3146 -31.3068 -31.3068 0.1754 0.1754 5.8150 5.8150 6.6996 6.6996 7.3964 7.3964 7.3988 7.3988 7.5358 7.5358 7.8319 7.8319 7.8718 7.8718 8.1384 8.1384 8.1466 8.1466 8.3415 8.3415 9.3089 9.3089 9.3101 9.3101 9.5533 9.5533 9.6275 9.6275 9.6356 9.6356 9.7347 9.7347 9.7593 9.7593 10.5536 10.5536 10.9999 10.9999 12.5574 12.5574 12.5779 12.5779 12.8805 12.8805 13.8623 13.8623 k = 0.0930 0.0586 0.0430 ( 4160 PWs) bands (ev): -64.6715 -64.6715 -64.6643 -64.6643 -31.6225 -31.6225 -31.5994 -31.5994 -31.3426 -31.3426 -31.3277 -31.3277 -31.3147 -31.3147 -31.3067 -31.3067 0.1518 0.1518 5.8067 5.8067 6.7419 6.7419 7.4434 7.4434 7.4456 7.4456 7.5639 7.5639 7.8219 7.8219 7.8631 7.8631 8.1589 8.1589 8.1668 8.1668 8.3431 8.3431 9.2475 9.2475 9.2496 9.2496 9.5543 9.5543 9.6079 9.6079 9.6086 9.6086 9.7336 9.7336 9.7513 9.7513 10.5536 10.5536 11.0846 11.0846 12.6466 12.6466 12.6670 12.6670 12.8182 12.8182 13.8200 13.8200 k = 0.0814 0.0513 0.0376 ( 4157 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6226 -31.6226 -31.5992 -31.5992 -31.3427 -31.3427 -31.3275 -31.3275 -31.3149 -31.3149 -31.3066 -31.3066 0.1309 0.1309 5.7989 5.7989 6.7784 6.7784 7.4864 7.4864 7.4883 7.4883 7.5915 7.5915 7.8129 7.8129 7.8556 7.8556 8.1841 8.1841 8.1915 8.1915 8.3443 8.3443 9.1792 9.1792 9.1814 9.1814 9.5549 9.5549 9.5906 9.5906 9.5936 9.5936 9.7331 9.7331 9.7466 9.7466 10.5537 10.5537 11.1643 11.1643 12.7344 12.7344 12.7547 12.7547 12.7611 12.7611 13.7761 13.7761 k = 0.0698 0.0440 0.0322 ( 4145 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6227 -31.6227 -31.5991 -31.5991 -31.3428 -31.3428 -31.3274 -31.3274 -31.3150 -31.3150 -31.3065 -31.3065 0.1128 0.1128 5.7917 5.7917 6.8091 6.8091 7.5246 7.5246 7.5262 7.5262 7.6175 7.6175 7.8051 7.8051 7.8495 7.8495 8.2142 8.2142 8.2210 8.2210 8.3451 8.3451 9.1074 9.1074 9.1091 9.1091 9.5550 9.5550 9.5790 9.5790 9.5835 9.5835 9.7328 9.7328 9.7436 9.7436 10.5537 10.5537 11.2378 11.2378 12.7094 12.7094 12.8201 12.8201 12.8405 12.8405 13.7303 13.7303 k = 0.0581 0.0367 0.0269 ( 4148 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6228 -31.6228 -31.5990 -31.5990 -31.3429 -31.3429 -31.3273 -31.3273 -31.3151 -31.3151 -31.3064 -31.3064 0.0975 0.0975 5.7854 5.7854 6.8344 6.8344 7.5574 7.5574 7.5586 7.5586 7.6410 7.6410 7.7984 7.7984 7.8449 7.8449 8.2487 8.2487 8.2550 8.2550 8.3455 8.3455 9.0350 9.0350 9.0361 9.0361 9.5544 9.5544 9.5720 9.5720 9.5764 9.5764 9.7326 9.7326 9.7417 9.7417 10.5537 10.5537 11.3038 11.3038 12.6640 12.6640 12.9028 12.9028 12.9235 12.9235 13.6826 13.6826 k = 0.0465 0.0293 0.0215 ( 4148 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6229 -31.6229 -31.5989 -31.5989 -31.3430 -31.3430 -31.3272 -31.3272 -31.3151 -31.3151 -31.3064 -31.3064 0.0849 0.0849 5.7801 5.7801 6.8546 6.8546 7.5843 7.5843 7.5851 7.5851 7.6611 7.6611 7.7929 7.7929 7.8418 7.8418 8.2867 8.2867 8.2926 8.2926 8.3459 8.3459 8.9646 8.9646 8.9650 8.9650 9.5532 9.5532 9.5682 9.5682 9.5715 9.5715 9.7325 9.7325 9.7404 9.7404 10.5538 10.5538 11.3609 11.3609 12.6253 12.6253 12.9812 12.9812 13.0026 13.0026 13.6336 13.6336 k = 0.0349 0.0220 0.0161 ( 4148 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6229 -31.6229 -31.5988 -31.5988 -31.3430 -31.3430 -31.3272 -31.3272 -31.3152 -31.3152 -31.3063 -31.3063 0.0751 0.0751 5.7760 5.7760 6.8699 6.8699 7.6051 7.6051 7.6056 7.6056 7.6772 7.6772 7.7886 7.7886 7.8400 7.8400 8.3245 8.3245 8.3317 8.3317 8.3479 8.3479 8.8989 8.8989 8.8994 8.8994 9.5517 9.5517 9.5664 9.5664 9.5681 9.5681 9.7324 9.7324 9.7395 9.7395 10.5538 10.5538 11.4074 11.4074 12.5941 12.5941 13.0531 13.0531 13.0760 13.0760 13.5843 13.5843 k = 0.0233 0.0147 0.0107 ( 4151 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6229 -31.6229 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0681 0.0681 5.7729 5.7729 6.8806 6.8806 7.6198 7.6198 7.6201 7.6201 7.6888 7.6888 7.7855 7.7855 7.8392 7.8392 8.3412 8.3412 8.3686 8.3686 8.3687 8.3687 8.8425 8.8425 8.8437 8.8437 9.5504 9.5504 9.5656 9.5656 9.5659 9.5659 9.7323 9.7323 9.7389 9.7389 10.5538 10.5538 11.4420 11.4420 12.5711 12.5711 13.1148 13.1148 13.1404 13.1404 13.5375 13.5375 k = 0.0116 0.0073 0.0054 ( 4163 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0639 0.0639 5.7711 5.7711 6.8869 6.8869 7.6286 7.6286 7.6287 7.6287 7.6958 7.6958 7.7836 7.7836 7.8390 7.8390 8.3425 8.3425 8.3960 8.3960 8.3967 8.3967 8.8024 8.8024 8.8042 8.8042 9.5495 9.5495 9.5646 9.5646 9.5653 9.5653 9.7323 9.7323 9.7386 9.7386 10.5538 10.5538 11.4634 11.4634 12.5569 12.5569 13.1594 13.1594 13.1885 13.1885 13.5000 13.5000 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0625 0.0625 5.7705 5.7705 6.8890 6.8890 7.6314 7.6314 7.6316 7.6316 7.6981 7.6981 7.7830 7.7830 7.8389 7.8389 8.3426 8.3426 8.4069 8.4069 8.4076 8.4076 8.7874 8.7874 8.7895 8.7895 9.5493 9.5493 9.5642 9.5642 9.5652 9.5652 9.7323 9.7323 9.7385 9.7385 10.5538 10.5538 11.4706 11.4706 12.5522 12.5522 13.1764 13.1764 13.2076 13.2076 13.4846 13.4846 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0625 0.0625 5.7705 5.7705 6.8890 6.8890 7.6314 7.6314 7.6316 7.6316 7.6981 7.6981 7.7830 7.7830 7.8389 7.8389 8.3426 8.3426 8.4069 8.4069 8.4076 8.4076 8.7874 8.7874 8.7895 8.7895 9.5493 9.5493 9.5642 9.5642 9.5652 9.5652 9.7323 9.7323 9.7385 9.7385 10.5538 10.5538 11.4706 11.4706 12.5522 12.5522 13.1764 13.1764 13.2076 13.2076 13.4846 13.4846 k = 0.0078-0.0037-0.0119 ( 4165 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0637 0.0637 5.7694 5.7694 6.8897 6.8897 7.6304 7.6304 7.6320 7.6320 7.6982 7.6982 7.7802 7.7802 7.8364 7.8364 8.3381 8.3381 8.4060 8.4060 8.4075 8.4075 8.7904 8.7904 8.7938 8.7938 9.5495 9.5495 9.5642 9.5642 9.5657 9.5657 9.7318 9.7318 9.7383 9.7383 10.5525 10.5525 11.4675 11.4675 12.5543 12.5543 13.1708 13.1708 13.2028 13.2028 13.4918 13.4918 k = 0.0157-0.0075-0.0237 ( 4163 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3153 -31.3153 -31.3063 -31.3063 0.0672 0.0672 5.7663 5.7663 6.8918 6.8918 7.6266 7.6266 7.6333 7.6333 7.6986 7.6986 7.7717 7.7717 7.8290 7.8290 8.3245 8.3245 8.4039 8.4039 8.4076 8.4076 8.7972 8.7972 8.8075 8.8075 9.5502 9.5502 9.5639 9.5639 9.5674 9.5674 9.7298 9.7298 9.7383 9.7383 10.5486 10.5486 11.4584 11.4584 12.5606 12.5606 13.1514 13.1514 13.1935 13.1935 13.5085 13.5085 k = 0.0235-0.0112-0.0356 ( 4169 PWs) bands (ev): -64.6716 -64.6716 -64.6641 -64.6641 -31.6230 -31.6230 -31.5988 -31.5988 -31.3431 -31.3431 -31.3271 -31.3271 -31.3154 -31.3154 -31.3063 -31.3063 0.0730 0.0730 5.7610 5.7610 6.8953 6.8953 7.6199 7.6199 7.6355 7.6355 7.6988 7.6988 7.7579 7.7579 7.8180 7.8180 8.3027 8.3027 8.4018 8.4018 8.4085 8.4085 8.8077 8.8077 8.8279 8.8279 9.5508 9.5508 9.5633 9.5633 9.5707 9.5707 9.7258 9.7258 9.7390 9.7390 10.5422 10.5422 11.4443 11.4443 12.5705 12.5705 13.1162 13.1162 13.1863 13.1863 13.5290 13.5290 k = 0.0314-0.0150-0.0474 ( 4169 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6229 -31.6229 -31.5989 -31.5989 -31.3431 -31.3431 -31.3270 -31.3270 -31.3154 -31.3154 -31.3063 -31.3063 0.0812 0.0812 5.7535 5.7535 6.9003 6.9003 7.6092 7.6092 7.6381 7.6381 7.6980 7.6980 7.7397 7.7397 7.8050 7.8050 8.2749 8.2749 8.4002 8.4002 8.4107 8.4107 8.8211 8.8211 8.8521 8.8521 9.5507 9.5507 9.5627 9.5627 9.5755 9.5755 9.7197 9.7197 9.7406 9.7406 10.5334 10.5334 11.4264 11.4264 12.5834 12.5834 13.0685 13.0685 13.1826 13.1826 13.5528 13.5528 k = 0.0392-0.0187-0.0593 ( 4169 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6229 -31.6229 -31.5989 -31.5989 -31.3431 -31.3431 -31.3270 -31.3270 -31.3155 -31.3155 -31.3063 -31.3063 0.0916 0.0916 5.7438 5.7438 6.9065 6.9065 7.5928 7.5928 7.6406 7.6406 7.6935 7.6935 7.7206 7.7206 7.7922 7.7922 8.2438 8.2438 8.3992 8.3992 8.4141 8.4141 8.8368 8.8368 8.8776 8.8776 9.5495 9.5495 9.5619 9.5619 9.5817 9.5817 9.7120 9.7120 9.7428 9.7428 10.5224 10.5224 11.4063 11.4063 12.5976 12.5976 13.0126 13.0126 13.1824 13.1824 13.5804 13.5804 k = 0.0471-0.0225-0.0712 ( 4165 PWs) bands (ev): -64.6716 -64.6716 -64.6642 -64.6642 -31.6229 -31.6229 -31.5990 -31.5990 -31.3431 -31.3431 -31.3269 -31.3269 -31.3155 -31.3155 -31.3063 -31.3063 0.1044 0.1044 5.7318 5.7318 6.9142 6.9142 7.5683 7.5683 7.6419 7.6419 7.6796 7.6796 7.7086 7.7086 7.7821 7.7821 8.2115 8.2115 8.3990 8.3990 8.4184 8.4184 8.8540 8.8540 8.9029 8.9029 9.5470 9.5470 9.5610 9.5610 9.5888 9.5888 9.7030 9.7030 9.7455 9.7455 10.5094 10.5094 11.3859 11.3859 12.6104 12.6104 12.9532 12.9532 13.1857 13.1857 13.6120 13.6120 k = 0.0549-0.0262-0.0830 ( 4157 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6228 -31.6228 -31.5990 -31.5990 -31.3431 -31.3431 -31.3268 -31.3268 -31.3156 -31.3156 -31.3063 -31.3063 0.1194 0.1194 5.7174 5.7174 6.9231 6.9231 7.5334 7.5334 7.6396 7.6396 7.6595 7.6595 7.7041 7.7041 7.7766 7.7766 8.1795 8.1795 8.3997 8.3997 8.4231 8.4231 8.8719 8.8719 8.9265 8.9265 9.5428 9.5428 9.5595 9.5595 9.5961 9.5961 9.6933 9.6933 9.7487 9.7487 10.4946 10.4946 11.3667 11.3667 12.6162 12.6162 12.8971 12.8971 13.1922 13.1922 13.6481 13.6481 k = 0.0627-0.0300-0.0949 ( 4153 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6227 -31.6227 -31.5991 -31.5991 -31.3431 -31.3431 -31.3268 -31.3268 -31.3156 -31.3156 -31.3063 -31.3063 0.1367 0.1367 5.7006 5.7006 6.9333 6.9333 7.4879 7.4879 7.6308 7.6308 7.6403 7.6403 7.7041 7.7041 7.7760 7.7760 8.1488 8.1488 8.4015 8.4015 8.4281 8.4281 8.8898 8.8898 8.9479 8.9479 9.5368 9.5368 9.5572 9.5572 9.6025 9.6025 9.6840 9.6840 9.7524 9.7524 10.4784 10.4784 11.3506 11.3506 12.6045 12.6045 12.8554 12.8554 13.2015 13.2015 13.6890 13.6890 k = 0.0706-0.0337-0.1067 ( 4153 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6227 -31.6227 -31.5992 -31.5992 -31.3430 -31.3430 -31.3267 -31.3267 -31.3157 -31.3157 -31.3063 -31.3063 0.1562 0.1562 5.6813 5.6813 6.9447 6.9447 7.4330 7.4330 7.6146 7.6146 7.6237 7.6237 7.7085 7.7085 7.7797 7.7797 8.1199 8.1199 8.4044 8.4044 8.4332 8.4332 8.9073 8.9073 8.9664 8.9664 9.5283 9.5283 9.5538 9.5538 9.6061 9.6061 9.6769 9.6769 9.7564 9.7564 10.4611 10.4611 11.3388 11.3388 12.5653 12.5653 12.8388 12.8388 13.2133 13.2133 13.7350 13.7350 k = 0.0784-0.0375-0.1186 ( 4153 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6226 -31.6226 -31.5993 -31.5993 -31.3430 -31.3430 -31.3266 -31.3266 -31.3158 -31.3158 -31.3063 -31.3063 0.1779 0.1779 5.6594 5.6594 6.9572 6.9572 7.3708 7.3708 7.5953 7.5953 7.6065 7.6065 7.7165 7.7165 7.7864 7.7864 8.0933 8.0933 8.4082 8.4082 8.4383 8.4383 8.9240 8.9240 8.9819 8.9819 9.5167 9.5167 9.5493 9.5493 9.6045 9.6045 9.6747 9.6747 9.7608 9.7608 10.4429 10.4429 11.3327 11.3327 12.5015 12.5015 12.8451 12.8451 13.2272 13.2272 13.7865 13.7865 k = 0.0863-0.0412-0.1305 ( 4147 PWs) bands (ev): -64.6715 -64.6715 -64.6642 -64.6642 -31.6225 -31.6225 -31.5994 -31.5994 -31.3430 -31.3430 -31.3265 -31.3265 -31.3159 -31.3159 -31.3063 -31.3063 0.2017 0.2017 5.6350 5.6350 6.9709 6.9709 7.3028 7.3028 7.5750 7.5750 7.5879 7.5879 7.7270 7.7270 7.7954 7.7954 8.0690 8.0690 8.4129 8.4129 8.4435 8.4435 8.9396 8.9396 8.9943 8.9943 9.5011 9.5011 9.5439 9.5439 9.5968 9.5968 9.6781 9.6781 9.7656 9.7656 10.4243 10.4243 11.3330 11.3330 12.4229 12.4229 12.8647 12.8647 13.2429 13.2429 13.8434 13.8434 k = 0.0941-0.0450-0.1423 ( 4143 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6224 -31.6224 -31.5995 -31.5995 -31.3429 -31.3429 -31.3263 -31.3263 -31.3161 -31.3161 -31.3063 -31.3063 0.2277 0.2277 5.6081 5.6081 6.9856 6.9856 7.2302 7.2302 7.5537 7.5537 7.5688 7.5688 7.7395 7.7395 7.8063 7.8063 8.0473 8.0473 8.4180 8.4180 8.4490 8.4490 8.9537 8.9537 9.0035 9.0035 9.4811 9.4811 9.5374 9.5374 9.5848 9.5848 9.6855 9.6855 9.7708 9.7708 10.4054 10.4054 11.3405 11.3405 12.3368 12.3368 12.8908 12.8908 13.2600 13.2600 13.9058 13.9058 k = 0.1019-0.0487-0.1542 ( 4141 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6223 -31.6223 -31.5996 -31.5996 -31.3429 -31.3429 -31.3262 -31.3262 -31.3162 -31.3162 -31.3063 -31.3063 0.2558 0.2558 5.5787 5.5787 7.0012 7.0012 7.1540 7.1540 7.5308 7.5308 7.5507 7.5507 7.7534 7.7534 7.8187 7.8187 8.0281 8.0281 8.4231 8.4231 8.4551 8.4551 8.9663 8.9663 9.0098 9.0098 9.4565 9.4565 9.5294 9.5294 9.5707 9.5707 9.6948 9.6948 9.7766 9.7766 10.3867 10.3867 11.3554 11.3554 12.2468 12.2468 12.9201 12.9201 13.2784 13.2784 13.9733 13.9733 k = 0.1098-0.0525-0.1660 ( 4141 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6222 -31.6222 -31.5997 -31.5997 -31.3429 -31.3429 -31.3261 -31.3261 -31.3163 -31.3163 -31.3063 -31.3063 0.2858 0.2858 5.5470 5.5470 7.0176 7.0176 7.0750 7.0750 7.5055 7.5055 7.5348 7.5348 7.7686 7.7686 7.8323 7.8323 8.0113 8.0113 8.4277 8.4277 8.4622 8.4622 8.9771 8.9771 9.0134 9.0134 9.4275 9.4275 9.5190 9.5190 9.5565 9.5565 9.7047 9.7047 9.7831 9.7831 10.3682 10.3682 11.3779 11.3779 12.1550 12.1550 12.9511 12.9511 13.2978 13.2978 14.0456 14.0456 k = 0.1176-0.0562-0.1779 ( 4137 PWs) bands (ev): -64.6714 -64.6714 -64.6643 -64.6643 -31.6221 -31.6221 -31.5999 -31.5999 -31.3428 -31.3428 -31.3259 -31.3259 -31.3165 -31.3165 -31.3063 -31.3063 0.3179 0.3179 5.5130 5.5130 6.9929 6.9929 7.0355 7.0355 7.4777 7.4777 7.5217 7.5217 7.7847 7.7847 7.8472 7.8472 7.9970 7.9970 8.4314 8.4314 8.4706 8.4706 8.9860 8.9860 9.0145 9.0145 9.3945 9.3945 9.5049 9.5049 9.5439 9.5439 9.7143 9.7143 9.7902 9.7902 10.3504 10.3504 11.4077 11.4077 12.0625 12.0625 12.9827 12.9827 13.3181 13.3181 14.1219 14.1219 k = 0.1255-0.0600-0.1898 ( 4137 PWs) bands (ev): -64.6713 -64.6713 -64.6644 -64.6644 -31.6220 -31.6220 -31.6000 -31.6000 -31.3428 -31.3428 -31.3258 -31.3258 -31.3167 -31.3167 -31.3063 -31.3063 0.3518 0.3518 5.4770 5.4770 6.9097 6.9097 7.0534 7.0534 7.4477 7.4477 7.5116 7.5116 7.8018 7.8018 7.8632 7.8632 7.9849 7.9849 8.4338 8.4338 8.4805 8.4805 8.9925 8.9925 9.0138 9.0138 9.3580 9.3580 9.4869 9.4869 9.5336 9.5336 9.7229 9.7229 9.7978 9.7978 10.3334 10.3334 11.4447 11.4447 11.9703 11.9703 13.0146 13.0146 13.3393 13.3393 14.2013 14.2013 k = 0.1333-0.0637-0.2016 ( 4133 PWs) bands (ev): -64.6713 -64.6713 -64.6644 -64.6644 -31.6218 -31.6218 -31.6002 -31.6002 -31.3428 -31.3428 -31.3256 -31.3256 -31.3168 -31.3168 -31.3063 -31.3063 0.3876 0.3876 5.4391 5.4391 6.8249 6.8249 7.0722 7.0722 7.4156 7.4156 7.5046 7.5046 7.8194 7.8194 7.8802 7.8802 7.9749 7.9749 8.4351 8.4351 8.4917 8.4917 8.9954 8.9954 9.0126 9.0126 9.3187 9.3187 9.4658 9.4658 9.5250 9.5250 9.7305 9.7305 9.8058 9.8058 10.3175 10.3175 11.4882 11.4882 11.8790 11.8790 13.0467 13.0467 13.3613 13.3613 14.2831 14.2831 k = 0.1412-0.0674-0.2135 ( 4131 PWs) bands (ev): -64.6713 -64.6713 -64.6644 -64.6644 -31.6217 -31.6217 -31.6003 -31.6003 -31.3427 -31.3427 -31.3254 -31.3254 -31.3170 -31.3170 -31.3064 -31.3064 0.4252 0.4252 5.3997 5.3997 6.7390 6.7390 7.0915 7.0915 7.3817 7.3817 7.5008 7.5008 7.8376 7.8376 7.8980 7.8980 7.9670 7.9670 8.4353 8.4353 8.5042 8.5042 8.9931 8.9931 9.0126 9.0126 9.2770 9.2770 9.4427 9.4427 9.5173 9.5173 9.7368 9.7368 9.8135 9.8135 10.3032 10.3032 11.5376 11.5376 11.7892 11.7892 13.0788 13.0788 13.3844 13.3844 14.3659 14.3659 k = 0.1490-0.0712-0.2253 ( 4133 PWs) bands (ev): -64.6712 -64.6712 -64.6645 -64.6645 -31.6216 -31.6216 -31.6005 -31.6005 -31.3427 -31.3427 -31.3252 -31.3252 -31.3172 -31.3172 -31.3064 -31.3064 0.4644 0.4644 5.3589 5.3589 6.6523 6.6523 7.1113 7.1113 7.3462 7.3462 7.5001 7.5001 7.8559 7.8559 7.9166 7.9166 7.9611 7.9611 8.4346 8.4346 8.5175 8.5175 8.9862 8.9862 9.0135 9.0135 9.2338 9.2338 9.4183 9.4183 9.5100 9.5100 9.7420 9.7420 9.8204 9.8204 10.2907 10.2907 11.5918 11.5918 11.7020 11.7020 13.1111 13.1111 13.4085 13.4085 14.4486 14.4486 k = 0.1568-0.0749-0.2372 ( 4129 PWs) bands (ev): -64.6712 -64.6712 -64.6645 -64.6645 -31.6214 -31.6214 -31.6007 -31.6007 -31.3427 -31.3427 -31.3250 -31.3250 -31.3174 -31.3174 -31.3064 -31.3064 0.5053 0.5053 5.3172 5.3172 6.5650 6.5650 7.1315 7.1315 7.3094 7.3094 7.5026 7.5026 7.8739 7.8739 7.9355 7.9355 7.9578 7.9578 8.4328 8.4328 8.5317 8.5317 8.9761 8.9761 9.0139 9.0139 9.1897 9.1897 9.3931 9.3931 9.5029 9.5029 9.7462 9.7462 9.8257 9.8257 10.2805 10.2805 11.6083 11.6083 11.6595 11.6595 13.1437 13.1437 13.4338 13.4338 14.5300 14.5300 k = 0.1647-0.0787-0.2491 ( 4129 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6213 -31.6213 -31.6008 -31.6008 -31.3426 -31.3426 -31.3248 -31.3248 -31.3176 -31.3176 -31.3064 -31.3064 0.5476 0.5476 5.2748 5.2748 6.4775 6.4775 7.1518 7.1518 7.2716 7.2716 7.5081 7.5081 7.8910 7.8910 7.9504 7.9504 7.9617 7.9617 8.4302 8.4302 8.5465 8.5465 8.9633 8.9633 9.0130 9.0130 9.1457 9.1457 9.3675 9.3675 9.4960 9.4960 9.7494 9.7494 9.8290 9.8290 10.2730 10.2730 11.5279 11.5279 11.7207 11.7207 13.1766 13.1766 13.4607 13.4607 14.6088 14.6088 k = 0.1725-0.0824-0.2609 ( 4127 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6212 -31.6212 -31.6010 -31.6010 -31.3426 -31.3426 -31.3246 -31.3246 -31.3178 -31.3178 -31.3064 -31.3064 0.5914 0.5914 5.2322 5.2322 6.3900 6.3900 7.1716 7.1716 7.2336 7.2336 7.5166 7.5166 7.9057 7.9057 7.9553 7.9553 7.9796 7.9796 8.4267 8.4267 8.5617 8.5617 8.9478 8.9478 9.0102 9.0102 9.1034 9.1034 9.3417 9.3417 9.4892 9.4892 9.7518 9.7518 9.8297 9.8297 10.2682 10.2682 11.4466 11.4466 11.7894 11.7894 13.2100 13.2100 13.4892 13.4892 14.6835 14.6835 k = 0.1804-0.0862-0.2728 ( 4123 PWs) bands (ev): -64.6711 -64.6711 -64.6646 -64.6646 -31.6210 -31.6210 -31.6012 -31.6012 -31.3425 -31.3425 -31.3244 -31.3244 -31.3180 -31.3180 -31.3064 -31.3064 0.6364 0.6364 5.1895 5.1895 6.3026 6.3026 7.1807 7.1807 7.2058 7.2058 7.5278 7.5278 7.9164 7.9164 7.9625 7.9625 8.0006 8.0006 8.4224 8.4224 8.5772 8.5772 8.9292 8.9292 9.0034 9.0034 9.0660 9.0660 9.3160 9.3160 9.4824 9.4824 9.7531 9.7531 9.8278 9.8278 10.2665 10.2665 11.3675 11.3675 11.8620 11.8620 13.2441 13.2441 13.5197 13.5197 14.7530 14.7530 k = 0.1882-0.0899-0.2846 ( 4129 PWs) bands (ev): -64.6710 -64.6710 -64.6647 -64.6647 -31.6209 -31.6209 -31.6014 -31.6014 -31.3425 -31.3425 -31.3242 -31.3242 -31.3183 -31.3183 -31.3064 -31.3064 0.6826 0.6826 5.1472 5.1472 6.2156 6.2156 7.1480 7.1480 7.2192 7.2192 7.5416 7.5416 7.9225 7.9225 7.9742 7.9742 8.0224 8.0224 8.4171 8.4171 8.5928 8.5928 8.9066 8.9066 8.9878 8.9878 9.0402 9.0402 9.2905 9.2905 9.4756 9.4756 9.7534 9.7534 9.8231 9.8231 10.2678 10.2678 11.2909 11.2909 11.9380 11.9380 13.2789 13.2789 13.5524 13.5524 14.8157 14.8157 k = 0.1960-0.0937-0.2965 ( 4135 PWs) bands (ev): -64.6710 -64.6710 -64.6647 -64.6647 -31.6207 -31.6207 -31.6016 -31.6016 -31.3425 -31.3425 -31.3240 -31.3240 -31.3185 -31.3185 -31.3065 -31.3065 0.7298 0.7298 5.1056 5.1056 6.1291 6.1291 7.1078 7.1078 7.2399 7.2399 7.5578 7.5578 7.9258 7.9258 7.9886 7.9886 8.0448 8.0448 8.4110 8.4110 8.6081 8.6081 8.8790 8.8790 8.9632 8.9632 9.0282 9.0282 9.2654 9.2654 9.4688 9.4688 9.7522 9.7522 9.8164 9.8164 10.2718 10.2718 11.2171 11.2171 12.0170 12.0170 13.3148 13.3148 13.5875 13.5875 14.8700 14.8700 k = 0.2039-0.0974-0.3084 ( 4137 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6206 -31.6206 -31.6018 -31.6018 -31.3424 -31.3424 -31.3237 -31.3237 -31.3188 -31.3188 -31.3065 -31.3065 0.7780 0.7780 5.0651 5.0651 6.0433 6.0433 7.0665 7.0665 7.2614 7.2614 7.5763 7.5763 7.9279 7.9279 8.0035 8.0035 8.0677 8.0677 8.4039 8.4039 8.6228 8.6228 8.8461 8.8461 8.9375 8.9375 9.0233 9.0233 9.2409 9.2409 9.4620 9.4620 9.7489 9.7489 9.8084 9.8084 10.2783 10.2783 11.1459 11.1459 12.0987 12.0987 13.3517 13.3517 13.6254 13.6254 14.9138 14.9138 k = 0.2117-0.1012-0.3202 ( 4135 PWs) bands (ev): -64.6709 -64.6709 -64.6648 -64.6648 -31.6204 -31.6204 -31.6020 -31.6020 -31.3424 -31.3424 -31.3235 -31.3235 -31.3191 -31.3191 -31.3065 -31.3065 0.8268 0.8268 5.0260 5.0260 5.9584 5.9584 7.0248 7.0248 7.2831 7.2831 7.5968 7.5968 7.9297 7.9297 8.0176 8.0176 8.0911 8.0911 8.3958 8.3958 8.6361 8.6361 8.8101 8.8101 8.9142 8.9142 9.0214 9.0214 9.2170 9.2170 9.4553 9.4553 9.7424 9.7424 9.8006 9.8006 10.2867 10.2867 11.0776 11.0776 12.1828 12.1828 13.3898 13.3898 13.6663 13.6663 14.9444 14.9444 k = 0.2196-0.1049-0.3321 ( 4130 PWs) bands (ev): -64.6708 -64.6708 -64.6649 -64.6649 -31.6202 -31.6202 -31.6022 -31.6022 -31.3423 -31.3423 -31.3232 -31.3232 -31.3193 -31.3193 -31.3065 -31.3065 0.8762 0.8762 4.9886 4.9886 5.8744 5.8744 6.9829 6.9829 7.3050 7.3050 7.6191 7.6191 7.9314 7.9314 8.0303 8.0303 8.1148 8.1148 8.3868 8.3868 8.6468 8.6468 8.7740 8.7740 8.8934 8.8934 9.0214 9.0214 9.1941 9.1941 9.4485 9.4485 9.7320 9.7320 9.7943 9.7943 10.2967 10.2967 11.0120 11.0120 12.2691 12.2691 13.4292 13.4292 13.7103 13.7103 14.9584 14.9584 k = 0.2274-0.1087-0.3439 ( 4130 PWs) bands (ev): -64.6708 -64.6708 -64.6649 -64.6649 -31.6201 -31.6201 -31.6024 -31.6024 -31.3422 -31.3422 -31.3230 -31.3230 -31.3196 -31.3196 -31.3065 -31.3065 0.9260 0.9260 4.9534 4.9534 5.7915 5.7915 6.9409 6.9409 7.3269 7.3269 7.6430 7.6430 7.9331 7.9331 8.0407 8.0407 8.1390 8.1390 8.3767 8.3767 8.6506 8.6506 8.7434 8.7434 8.8743 8.8743 9.0231 9.0231 9.1721 9.1721 9.4416 9.4416 9.7173 9.7173 9.7899 9.7899 10.3078 10.3078 10.9492 10.9492 12.3574 12.3574 13.4699 13.4699 13.7578 13.7578 14.9515 14.9515 k = 0.2353-0.1124-0.3558 ( 4134 PWs) bands (ev): -64.6707 -64.6707 -64.6649 -64.6649 -31.6199 -31.6199 -31.6026 -31.6026 -31.3422 -31.3422 -31.3227 -31.3227 -31.3199 -31.3199 -31.3066 -31.3066 0.9761 0.9761 4.9205 4.9205 5.7099 5.7099 6.8990 6.8990 7.3487 7.3487 7.6685 7.6685 7.9349 7.9349 8.0485 8.0485 8.1635 8.1635 8.3656 8.3656 8.6396 8.6396 8.7272 8.7272 8.8567 8.8567 9.0264 9.0264 9.1516 9.1516 9.4347 9.4347 9.6993 9.6993 9.7871 9.7871 10.3196 10.3196 10.8890 10.8890 12.4474 12.4474 13.5121 13.5121 13.8090 13.8090 14.9194 14.9194 k = 0.2431-0.1162-0.3677 ( 4134 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6197 -31.6197 -31.6028 -31.6028 -31.3421 -31.3421 -31.3225 -31.3225 -31.3201 -31.3201 -31.3066 -31.3066 1.0261 1.0261 4.8903 4.8903 5.6296 5.6296 6.8572 6.8572 7.3703 7.3703 7.6952 7.6952 7.9366 7.9366 8.0534 8.0534 8.1882 8.1882 8.3535 8.3535 8.6128 8.6128 8.7269 8.7269 8.8406 8.8406 9.0306 9.0306 9.1332 9.1332 9.4277 9.4277 9.6786 9.6786 9.7854 9.7854 10.3318 10.3318 10.8315 10.8315 12.5392 12.5392 13.5558 13.5558 13.8638 13.8638 14.8589 14.8589 k = 0.2509-0.1199-0.3795 ( 4136 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6030 -31.6030 -31.3421 -31.3421 -31.3222 -31.3222 -31.3204 -31.3204 -31.3066 -31.3066 1.0759 1.0759 4.8632 4.8632 5.5508 5.5508 6.8158 6.8158 7.3917 7.3917 7.7230 7.7230 7.9382 7.9382 8.0550 8.0550 8.2131 8.2131 8.3404 8.3404 8.5790 8.5790 8.7340 8.7340 8.8262 8.8262 9.0344 9.0344 9.1183 9.1183 9.4205 9.4205 9.6561 9.6561 9.7844 9.7844 10.3440 10.3440 10.7765 10.7765 12.6324 12.6324 13.6008 13.6008 13.9226 13.9226 14.7698 14.7698 k = 0.2588-0.1236-0.3914 ( 4138 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6194 -31.6194 -31.6032 -31.6032 -31.3420 -31.3420 -31.3220 -31.3220 -31.3207 -31.3207 -31.3067 -31.3067 1.1253 1.1253 4.8394 4.8394 5.4736 5.4736 6.7747 6.7747 7.4128 7.4128 7.7517 7.7517 7.9394 7.9394 8.0534 8.0534 8.2378 8.2378 8.3265 8.3265 8.5436 8.5436 8.7428 8.7428 8.8144 8.8144 9.0350 9.0350 9.1096 9.1096 9.4133 9.4133 9.6323 9.6323 9.7839 9.7839 10.3561 10.3561 10.7240 10.7240 12.7271 12.7271 13.6470 13.6470 13.9854 13.9854 14.6552 14.6552 k = 0.2666-0.1274-0.4032 ( 4142 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6193 -31.6193 -31.6034 -31.6034 -31.3419 -31.3419 -31.3217 -31.3217 -31.3210 -31.3210 -31.3067 -31.3067 1.1740 1.1740 4.8192 4.8192 5.3980 5.3980 6.7340 6.7340 7.4333 7.4333 7.7813 7.7813 7.9400 7.9400 8.0487 8.0487 8.2619 8.2619 8.3122 8.3122 8.5087 8.5087 8.7499 8.7499 8.8068 8.8068 9.0295 9.0295 9.1100 9.1100 9.4058 9.4058 9.6074 9.6074 9.7837 9.7837 10.3677 10.3677 10.6739 10.6739 12.8232 12.8232 13.6939 13.6939 14.0523 14.0523 14.5208 14.5208 k = 0.2745-0.1311-0.4151 ( 4136 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6191 -31.6191 -31.6036 -31.6036 -31.3419 -31.3419 -31.3217 -31.3217 -31.3210 -31.3210 -31.3067 -31.3067 1.2219 1.2219 4.8030 4.8030 5.3242 5.3242 6.6939 6.6939 7.4531 7.4531 7.8114 7.8114 7.9397 7.9397 8.0411 8.0411 8.2816 8.2816 8.3013 8.3013 8.4756 8.4756 8.7521 8.7521 8.8060 8.8060 9.0184 9.0184 9.1187 9.1187 9.3982 9.3982 9.5819 9.5819 9.7837 9.7837 10.3786 10.3786 10.6262 10.6262 12.9206 12.9206 13.7400 13.7400 14.1233 14.1233 14.3739 14.3739 k = 0.2823-0.1349-0.4270 ( 4136 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6189 -31.6189 -31.6038 -31.6038 -31.3418 -31.3418 -31.3218 -31.3218 -31.3209 -31.3209 -31.3068 -31.3068 1.2687 1.2687 4.7910 4.7910 5.2522 5.2522 6.6545 6.6545 7.4720 7.4720 7.8420 7.8420 7.9380 7.9380 8.0311 8.0311 8.2765 8.2765 8.3137 8.3137 8.4450 8.4450 8.7487 8.7487 8.8125 8.8125 9.0045 9.0045 9.1328 9.1328 9.3905 9.3905 9.5559 9.5559 9.7840 9.7840 10.3884 10.3884 10.5812 10.5812 13.0193 13.0193 13.7812 13.7812 14.1959 14.1959 14.2260 14.2260 k = 0.2901-0.1386-0.4388 ( 4134 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6188 -31.6188 -31.6039 -31.6039 -31.3417 -31.3417 -31.3221 -31.3221 -31.3206 -31.3206 -31.3068 -31.3068 1.3142 1.3142 4.7835 4.7835 5.1821 5.1821 6.6157 6.6157 7.4897 7.4897 7.8726 7.8726 7.9348 7.9348 8.0194 8.0194 8.2621 8.2621 8.3324 8.3324 8.4193 8.4193 8.7422 8.7422 8.8234 8.8234 8.9896 8.9896 9.1501 9.1501 9.3826 9.3826 9.5297 9.5297 9.7845 9.7845 10.3964 10.3964 10.5391 10.5391 13.1193 13.1193 13.8010 13.8010 14.0893 14.0893 14.2787 14.2787 k = 0.2980-0.1424-0.4507 ( 4128 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6186 -31.6186 -31.6041 -31.6041 -31.3416 -31.3416 -31.3224 -31.3224 -31.3203 -31.3203 -31.3069 -31.3069 1.3581 1.3581 4.7806 4.7806 5.1141 5.1141 6.5778 6.5778 7.5058 7.5058 7.9017 7.9017 7.9306 7.9306 8.0067 8.0067 8.2477 8.2477 8.3419 8.3419 8.4051 8.4051 8.7346 8.7346 8.8359 8.8359 8.9752 8.9752 9.1693 9.1693 9.3745 9.3745 9.5035 9.5035 9.7852 9.7852 10.4011 10.4011 10.5016 10.5016 13.2205 13.2205 13.7489 13.7489 14.0267 14.0267 14.3621 14.3621 k = 0.3058-0.1461-0.4625 ( 4134 PWs) bands (ev): -64.6703 -64.6703 -64.6653 -64.6653 -31.6184 -31.6184 -31.6043 -31.6043 -31.3415 -31.3415 -31.3227 -31.3227 -31.3200 -31.3200 -31.3070 -31.3070 1.4003 1.4003 4.7826 4.7826 5.0481 5.0481 6.5406 6.5406 7.5200 7.5200 7.9142 7.9142 7.9395 7.9395 7.9945 7.9945 8.2346 8.2346 8.3327 8.3327 8.4111 8.4111 8.7271 8.7271 8.8483 8.8483 8.9622 8.9622 9.1895 9.1895 9.3665 9.3665 9.4776 9.4776 9.7862 9.7862 10.3980 10.3980 10.4729 10.4729 13.3230 13.3230 13.6164 13.6164 14.0455 14.0455 14.4498 14.4498 k = 0.3137-0.1499-0.4744 ( 4130 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6183 -31.6183 -31.6045 -31.6045 -31.3414 -31.3414 -31.3230 -31.3230 -31.3197 -31.3197 -31.3070 -31.3070 1.4405 1.4405 4.7896 4.7896 4.9842 4.9842 6.5044 6.5044 7.5317 7.5317 7.9051 7.9051 7.9604 7.9604 7.9889 7.9889 8.2234 8.2234 8.3132 8.3132 8.4287 8.4287 8.7200 8.7200 8.8585 8.8585 8.9524 8.9524 9.2097 9.2097 9.3586 9.3586 9.4522 9.4522 9.7874 9.7874 10.3806 10.3806 10.4593 10.4593 13.4257 13.4257 13.4574 13.4574 14.0947 14.0947 14.5415 14.5415 k = 0.3215-0.1536-0.4863 ( 4138 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6181 -31.6181 -31.6047 -31.6047 -31.3414 -31.3414 -31.3233 -31.3233 -31.3195 -31.3195 -31.3071 -31.3071 1.4787 1.4787 4.8019 4.8019 4.9226 4.9226 6.4692 6.4692 7.5401 7.5401 7.8920 7.8920 7.9577 7.9577 8.0085 8.0085 8.2148 8.2148 8.2917 8.2917 8.4494 8.4494 8.7134 8.7134 8.8637 8.8637 8.9481 8.9481 9.2289 9.2289 9.3512 9.3512 9.4280 9.4280 9.7888 9.7888 10.3520 10.3520 10.4578 10.4578 13.2892 13.2892 13.5322 13.5322 14.1548 14.1548 14.6371 14.6371 k = 0.3294-0.1574-0.4981 ( 4132 PWs) bands (ev): -64.6702 -64.6702 -64.6655 -64.6655 -31.6180 -31.6180 -31.6048 -31.6048 -31.3413 -31.3413 -31.3236 -31.3236 -31.3191 -31.3191 -31.3071 -31.3071 1.5147 1.5147 4.8193 4.8193 4.8633 4.8633 6.4351 6.4351 7.5445 7.5445 7.8777 7.8777 7.9449 7.9449 8.0380 8.0380 8.2087 8.2087 8.2707 8.2707 8.4706 8.4706 8.7075 8.7075 8.8623 8.8623 8.9508 8.9508 9.2453 9.2453 9.3453 9.3453 9.4055 9.4055 9.7904 9.7904 10.3195 10.3195 10.4609 10.4609 13.1219 13.1219 13.6387 13.6387 14.2207 14.2207 14.7366 14.7366 k = 0.3372-0.1611-0.5100 ( 4134 PWs) bands (ev): -64.6702 -64.6702 -64.6655 -64.6655 -31.6178 -31.6178 -31.6050 -31.6050 -31.3412 -31.3412 -31.3239 -31.3239 -31.3189 -31.3189 -31.3072 -31.3072 1.5483 1.5483 4.8057 4.8057 4.8427 4.8427 6.4020 6.4020 7.5438 7.5438 7.8634 7.8634 7.9304 7.9304 8.0686 8.0686 8.2047 8.2047 8.2516 8.2516 8.4915 8.4915 8.7021 8.7021 8.8551 8.8551 8.9592 8.9592 9.2562 9.2562 9.3424 9.3424 9.3861 9.3861 9.7921 9.7921 10.2864 10.2864 10.4655 10.4655 12.9565 12.9565 13.7465 13.7465 14.2909 14.2909 14.8397 14.8397 k = 0.3450-0.1649-0.5218 ( 4136 PWs) bands (ev): -64.6701 -64.6701 -64.6655 -64.6655 -31.6177 -31.6177 -31.6052 -31.6052 -31.3411 -31.3411 -31.3242 -31.3242 -31.3186 -31.3186 -31.3073 -31.3073 1.5795 1.5795 4.7511 4.7511 4.8708 4.8708 6.3702 6.3702 7.5374 7.5374 7.8503 7.8503 7.9157 7.9157 8.0988 8.0988 8.2008 8.2008 8.2368 8.2368 8.5116 8.5116 8.6971 8.6971 8.8445 8.8445 8.9708 8.9708 9.2580 9.2580 9.3428 9.3428 9.3728 9.3728 9.7939 9.7939 10.2538 10.2538 10.4703 10.4703 12.7944 12.7944 13.8559 13.8559 14.3646 14.3646 14.9465 14.9465 k = 0.3529-0.1686-0.5337 ( 4130 PWs) bands (ev): -64.6701 -64.6701 -64.6656 -64.6656 -31.6175 -31.6175 -31.6053 -31.6053 -31.3410 -31.3410 -31.3245 -31.3245 -31.3182 -31.3182 -31.3074 -31.3074 1.6082 1.6082 4.6988 4.6988 4.9043 4.9043 6.3395 6.3395 7.5248 7.5248 7.8385 7.8385 7.9017 7.9017 8.1276 8.1276 8.1930 8.1930 8.2305 8.2305 8.5307 8.5307 8.6926 8.6926 8.8324 8.8324 8.9834 8.9834 9.2503 9.2503 9.3402 9.3402 9.3729 9.3729 9.7956 9.7956 10.2223 10.2223 10.4750 10.4750 12.6367 12.6367 13.9667 13.9667 14.4415 14.4415 15.0567 15.0567 k = 0.3607-0.1724-0.5456 ( 4132 PWs) bands (ev): -64.6701 -64.6701 -64.6656 -64.6656 -31.6174 -31.6174 -31.6055 -31.6055 -31.3409 -31.3409 -31.3248 -31.3248 -31.3180 -31.3180 -31.3075 -31.3075 1.6345 1.6345 4.6490 4.6490 4.9429 4.9429 6.3102 6.3102 7.5057 7.5057 7.8273 7.8273 7.8898 7.8898 8.1515 8.1515 8.1836 8.1836 8.2337 8.2337 8.5486 8.5486 8.6884 8.6884 8.8198 8.8198 8.9957 8.9957 9.2359 9.2359 9.3331 9.3331 9.3850 9.3850 9.7971 9.7971 10.1922 10.1922 10.4794 10.4794 12.4841 12.4841 14.0791 14.0791 14.5215 14.5215 15.1703 15.1703 k = 0.3686-0.1761-0.5574 ( 4128 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6173 -31.6173 -31.6056 -31.6056 -31.3408 -31.3408 -31.3251 -31.3251 -31.3177 -31.3177 -31.3075 -31.3075 1.6583 1.6583 4.6016 4.6016 4.9866 4.9866 6.2821 6.2821 7.4806 7.4806 7.8157 7.8157 7.8812 7.8812 8.1543 8.1543 8.1909 8.1909 8.2438 8.2438 8.5650 8.5650 8.6842 8.6842 8.8072 8.8072 9.0067 9.0067 9.2177 9.2177 9.3269 9.3269 9.4015 9.4015 9.7982 9.7982 10.1636 10.1636 10.4834 10.4834 12.3372 12.3372 14.1930 14.1930 14.6044 14.6044 15.2869 15.2869 k = 0.3764-0.1799-0.5693 ( 4128 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6172 -31.6172 -31.6058 -31.6058 -31.3407 -31.3407 -31.3254 -31.3254 -31.3174 -31.3174 -31.3076 -31.3076 1.6798 1.6798 4.5568 4.5568 5.0351 5.0351 6.2555 6.2555 7.4501 7.4501 7.8028 7.8028 7.8766 7.8766 8.1414 8.1414 8.2100 8.2100 8.2599 8.2599 8.5799 8.5799 8.6800 8.6800 8.7952 8.7952 9.0157 9.0157 9.1975 9.1975 9.3230 9.3230 9.4194 9.4194 9.7986 9.7986 10.1369 10.1369 10.4870 10.4870 12.1966 12.1966 14.3084 14.3084 14.6902 14.6902 15.4067 15.4067 k = 0.3842-0.1836-0.5811 ( 4136 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6171 -31.6171 -31.6059 -31.6059 -31.3406 -31.3406 -31.3256 -31.3256 -31.3171 -31.3171 -31.3077 -31.3077 1.6990 1.6990 4.5146 4.5146 5.0880 5.0880 6.2302 6.2302 7.4150 7.4150 7.7885 7.7885 7.8754 7.8754 8.1267 8.1267 8.2273 8.2273 8.2812 8.2812 8.5932 8.5932 8.6754 8.6754 8.7840 8.7840 9.0224 9.0224 9.1765 9.1765 9.3217 9.3217 9.4374 9.4374 9.7979 9.7979 10.1123 10.1123 10.4903 10.4903 12.0627 12.0627 14.4255 14.4255 14.7788 14.7788 15.5292 15.5292 k = 0.6158 0.1316-0.3501 ( 4136 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6171 -31.6171 -31.6059 -31.6059 -31.3406 -31.3406 -31.3256 -31.3256 -31.3171 -31.3171 -31.3077 -31.3077 1.6990 1.6990 4.5146 4.5146 5.0880 5.0880 6.2302 6.2302 7.4150 7.4150 7.7885 7.7885 7.8754 7.8754 8.1267 8.1267 8.2273 8.2273 8.2812 8.2812 8.5932 8.5932 8.6754 8.6754 8.7840 8.7840 9.0224 9.0224 9.1765 9.1765 9.3217 9.3217 9.4374 9.4374 9.7979 9.7979 10.1123 10.1123 10.4903 10.4903 12.0627 12.0627 14.4255 14.4255 14.7788 14.7788 15.5292 15.5292 k = 0.6080 0.1439-0.3501 ( 4136 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6170 -31.6170 -31.6060 -31.6060 -31.3405 -31.3405 -31.3259 -31.3259 -31.3169 -31.3169 -31.3078 -31.3078 1.7157 1.7157 4.4755 4.4755 5.1441 5.1441 6.2068 6.2068 7.3765 7.3765 7.7737 7.7737 7.8766 7.8766 8.1124 8.1124 8.2425 8.2425 8.3053 8.3053 8.6046 8.6046 8.6702 8.6702 8.7741 8.7741 9.0262 9.0262 9.1558 9.1558 9.3233 9.3233 9.4549 9.4549 9.7960 9.7960 10.0903 10.0903 10.4931 10.4931 11.9379 11.9379 14.5422 14.5422 14.8686 14.8686 15.6525 15.6525 k = 0.6003 0.1561-0.3501 ( 4140 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6169 -31.6169 -31.6061 -31.6061 -31.3404 -31.3404 -31.3262 -31.3262 -31.3166 -31.3166 -31.3079 -31.3079 1.7305 1.7305 4.4391 4.4391 5.2038 5.2038 6.1849 6.1849 7.3347 7.3347 7.7588 7.7588 7.8793 7.8793 8.0988 8.0988 8.2568 8.2568 8.3307 8.3307 8.6143 8.6143 8.6641 8.6641 8.7655 8.7655 9.0272 9.0272 9.1355 9.1355 9.3275 9.3275 9.4719 9.4719 9.7926 9.7926 10.0708 10.0708 10.4956 10.4956 11.8205 11.8205 14.6606 14.6606 14.9608 14.9608 15.7782 15.7782 k = 0.5926 0.1684-0.3501 ( 4138 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6168 -31.6168 -31.6062 -31.6062 -31.3403 -31.3403 -31.3264 -31.3264 -31.3163 -31.3163 -31.3080 -31.3080 1.7434 1.7434 4.4052 4.4052 5.2667 5.2667 6.1644 6.1644 7.2899 7.2899 7.7442 7.7442 7.8828 7.8828 8.0860 8.0860 8.2710 8.2710 8.3563 8.3563 8.6223 8.6223 8.6569 8.6569 8.7585 8.7585 9.0255 9.0255 9.1159 9.1159 9.3343 9.3343 9.4880 9.4880 9.7874 9.7874 10.0539 10.0539 10.4978 10.4978 11.7108 11.7108 14.7804 14.7804 15.0553 15.0553 15.9061 15.9061 k = 0.5849 0.1806-0.3501 ( 4136 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6167 -31.6167 -31.6063 -31.6063 -31.3402 -31.3402 -31.3266 -31.3266 -31.3161 -31.3161 -31.3081 -31.3081 1.7547 1.7547 4.3740 4.3740 5.3323 5.3323 6.1455 6.1455 7.2426 7.2426 7.7302 7.7302 7.8866 7.8866 8.0741 8.0741 8.2853 8.2853 8.3816 8.3816 8.6287 8.6287 8.6486 8.6486 8.7530 8.7530 9.0213 9.0213 9.0972 9.0972 9.3434 9.3434 9.5033 9.5033 9.7807 9.7807 10.0396 10.0396 10.4996 10.4996 11.6091 11.6091 14.9017 14.9017 15.1520 15.1520 16.0361 16.0361 k = 0.5772 0.1928-0.3501 ( 4138 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6166 -31.6166 -31.6064 -31.6064 -31.3401 -31.3401 -31.3268 -31.3268 -31.3159 -31.3159 -31.3082 -31.3082 1.7643 1.7643 4.3454 4.3454 5.3999 5.3999 6.1281 6.1281 7.1930 7.1930 7.7171 7.7171 7.8903 7.8903 8.0631 8.0631 8.2999 8.2999 8.4062 8.4062 8.6334 8.6334 8.6392 8.6392 8.7490 8.7490 9.0152 9.0152 9.0796 9.0796 9.3545 9.3545 9.5173 9.5173 9.7726 9.7726 10.0277 10.0277 10.5013 10.5013 11.5156 11.5156 15.0245 15.0245 15.2506 15.2506 16.1677 16.1677 k = 0.5695 0.2051-0.3501 ( 4132 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6165 -31.6165 -31.6065 -31.6065 -31.3400 -31.3400 -31.3270 -31.3270 -31.3156 -31.3156 -31.3083 -31.3083 1.7726 1.7726 4.3194 4.3194 5.4689 5.4689 6.1123 6.1123 7.1417 7.1417 7.7049 7.7049 7.8937 7.8937 8.0531 8.0531 8.3147 8.3147 8.4297 8.4297 8.6285 8.6285 8.6370 8.6370 8.7462 8.7462 9.0077 9.0077 9.0632 9.0632 9.3673 9.3673 9.5297 9.5297 9.7636 9.7636 10.0178 10.0178 10.5026 10.5026 11.4306 11.4306 15.1487 15.1487 15.3507 15.3507 16.3007 16.3007 k = 0.5617 0.2173-0.3501 ( 4130 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6164 -31.6164 -31.6066 -31.6066 -31.3399 -31.3399 -31.3272 -31.3272 -31.3154 -31.3154 -31.3084 -31.3084 1.7795 1.7795 4.2962 4.2962 5.5383 5.5383 6.0981 6.0981 7.0891 7.0891 7.6938 7.6938 7.8968 7.8968 8.0441 8.0441 8.3296 8.3296 8.4518 8.4518 8.6175 8.6175 8.6389 8.6389 8.7444 8.7444 8.9994 8.9994 9.0479 9.0479 9.3812 9.3812 9.5401 9.5401 9.7543 9.7543 10.0097 10.0097 10.5038 10.5038 11.3543 11.3543 15.2743 15.2743 15.4518 15.4518 16.4342 16.4342 k = 0.5540 0.2296-0.3501 ( 4128 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6164 -31.6164 -31.6066 -31.6066 -31.3398 -31.3398 -31.3274 -31.3274 -31.3152 -31.3152 -31.3085 -31.3085 1.7853 1.7853 4.2756 4.2756 5.6074 5.6074 6.0855 6.0855 7.0359 7.0359 7.6839 7.6839 7.8994 7.8994 8.0361 8.0361 8.3446 8.3446 8.4723 8.4723 8.6063 8.6063 8.6395 8.6395 8.7432 8.7432 8.9910 8.9910 9.0339 9.0339 9.3962 9.3962 9.5479 9.5479 9.7457 9.7457 10.0029 10.0029 10.5048 10.5048 11.2868 11.2868 15.4010 15.4010 15.5532 15.5532 16.5668 16.5668 k = 0.5463 0.2418-0.3501 ( 4130 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6163 -31.6163 -31.6067 -31.6067 -31.3398 -31.3398 -31.3275 -31.3275 -31.3151 -31.3151 -31.3086 -31.3086 1.7901 1.7901 4.2577 4.2577 5.6747 5.6747 6.0746 6.0746 6.9830 6.9830 7.6752 7.6752 7.9015 7.9015 8.0291 8.0291 8.3595 8.3595 8.4906 8.4906 8.5955 8.5955 8.6389 8.6389 8.7426 8.7426 8.9829 8.9829 9.0210 9.0210 9.4118 9.4118 9.5525 9.5525 9.7385 9.7385 9.9970 9.9970 10.5055 10.5055 11.2282 11.2282 15.5287 15.5287 15.6539 15.6539 16.6948 16.6948 k = 0.5386 0.2540-0.3501 ( 4130 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6163 -31.6163 -31.6068 -31.6068 -31.3397 -31.3397 -31.3277 -31.3277 -31.3149 -31.3149 -31.3087 -31.3087 1.7940 1.7940 4.2426 4.2426 5.7387 5.7387 6.0654 6.0654 6.9316 6.9316 7.6677 7.6677 7.9032 7.9032 8.0232 8.0232 8.3740 8.3740 8.5058 8.5058 8.5861 8.5861 8.6372 8.6372 8.7423 8.7423 8.9758 8.9758 9.0095 9.0095 9.4278 9.4278 9.5534 9.5534 9.7334 9.7334 9.9919 9.9919 10.5062 10.5062 11.1786 11.1786 15.6573 15.6573 15.7524 15.7524 16.8026 16.8026 k = 0.5309 0.2663-0.3501 ( 4134 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6162 -31.6162 -31.6068 -31.6068 -31.3397 -31.3397 -31.3278 -31.3278 -31.3148 -31.3148 -31.3088 -31.3088 1.7970 1.7970 4.2302 4.2302 5.7973 5.7973 6.0578 6.0578 6.8836 6.8836 7.6616 7.6616 7.9046 7.9046 8.0183 8.0183 8.3878 8.3878 8.5163 8.5163 8.5800 8.5800 8.6345 8.6345 8.7422 8.7422 8.9699 8.9699 8.9992 8.9992 9.4441 9.4441 9.5504 9.5504 9.7303 9.7303 9.9875 9.9875 10.5067 10.5067 11.1380 11.1380 15.7861 15.7861 15.8461 15.8461 16.8209 16.8209 k = 0.5232 0.2785-0.3501 ( 4124 PWs) bands (ev): -64.6697 -64.6697 -64.6659 -64.6659 -31.6162 -31.6162 -31.6068 -31.6068 -31.3396 -31.3396 -31.3278 -31.3278 -31.3147 -31.3147 -31.3088 -31.3088 1.7993 1.7993 4.2206 4.2206 5.8482 5.8482 6.0520 6.0520 6.8413 6.8413 7.6568 7.6568 7.9055 7.9055 8.0145 8.0145 8.4005 8.4005 8.5205 8.5205 8.5789 8.5789 8.6309 8.6309 8.7422 8.7422 8.9655 8.9655 8.9906 8.9906 9.4603 9.4603 9.5438 9.5438 9.7291 9.7291 9.9838 9.9838 10.5070 10.5070 11.1065 11.1065 15.9141 15.9141 15.9318 15.9318 16.7301 16.7301 k = 0.5154 0.2908-0.3501 ( 4124 PWs) bands (ev): -64.6697 -64.6697 -64.6659 -64.6659 -31.6162 -31.6162 -31.6069 -31.6069 -31.3396 -31.3396 -31.3279 -31.3279 -31.3146 -31.3146 -31.3089 -31.3089 1.8008 1.8008 4.2137 4.2137 5.8880 5.8880 6.0479 6.0479 6.8076 6.8076 7.6534 7.6534 7.9061 7.9061 8.0118 8.0118 8.4111 8.4111 8.5193 8.5193 8.5824 8.5824 8.6269 8.6269 8.7423 8.7423 8.9627 8.9627 8.9838 8.9838 9.4763 9.4763 9.5343 9.5343 9.7291 9.7291 9.9810 9.9810 10.5073 10.5073 11.0840 11.0840 16.0014 16.0014 16.0411 16.0411 16.6132 16.6132 k = 0.5077 0.3030-0.3501 ( 4134 PWs) bands (ev): -64.6697 -64.6697 -64.6659 -64.6659 -31.6162 -31.6162 -31.6069 -31.6069 -31.3396 -31.3396 -31.3280 -31.3280 -31.3146 -31.3146 -31.3089 -31.3089 1.8018 1.8018 4.2095 4.2095 5.9137 5.9137 6.0455 6.0455 6.7856 6.7856 7.6513 7.6513 7.9065 7.9065 8.0102 8.0102 8.4184 8.4184 8.5163 8.5163 8.5870 8.5870 8.6232 8.6232 8.7423 8.7423 8.9613 8.9613 8.9794 8.9794 9.4913 9.4913 9.5229 9.5229 9.7294 9.7294 9.9792 9.9792 10.5074 10.5074 11.0704 11.0704 16.0497 16.0497 16.1567 16.1567 16.5001 16.5001 k = 0.5000 0.3152-0.3501 ( 4132 PWs) bands (ev): -64.6697 -64.6697 -64.6659 -64.6659 -31.6161 -31.6161 -31.6069 -31.6069 -31.3396 -31.3396 -31.3280 -31.3280 -31.3146 -31.3146 -31.3089 -31.3089 1.8021 1.8021 4.2082 4.2082 5.9225 5.9225 6.0447 6.0447 6.7779 6.7779 7.6507 7.6507 7.9066 7.9066 8.0096 8.0096 8.4211 8.4211 8.5149 8.5149 8.5892 8.5892 8.6216 8.6216 8.7423 8.7423 8.9609 8.9609 8.9778 8.9778 9.5011 9.5011 9.5142 9.5142 9.7296 9.7296 9.9786 9.9786 10.5075 10.5075 11.0659 11.0659 16.0671 16.0671 16.2200 16.2200 16.4374 16.4374 k = 0.5000 0.3152-0.3501 ( 4132 PWs) bands (ev): -64.6697 -64.6697 -64.6659 -64.6659 -31.6161 -31.6161 -31.6069 -31.6069 -31.3396 -31.3396 -31.3280 -31.3280 -31.3146 -31.3146 -31.3089 -31.3089 1.8021 1.8021 4.2082 4.2082 5.9225 5.9225 6.0447 6.0447 6.7779 6.7779 7.6507 7.6507 7.9066 7.9066 8.0096 8.0096 8.4211 8.4211 8.5149 8.5149 8.5892 8.5892 8.6216 8.6216 8.7423 8.7423 8.9609 8.9609 8.9778 8.9778 9.5011 9.5011 9.5142 9.5142 9.7296 9.7296 9.9786 9.9786 10.5075 10.5075 11.0659 11.0659 16.0671 16.0671 16.2200 16.2200 16.4374 16.4374 k = 0.5064 0.3193-0.3373 ( 4129 PWs) bands (ev): -64.6697 -64.6697 -64.6659 -64.6659 -31.6161 -31.6161 -31.6069 -31.6069 -31.3396 -31.3396 -31.3280 -31.3280 -31.3146 -31.3146 -31.3089 -31.3089 1.8027 1.8027 4.2090 4.2090 5.9231 5.9231 6.0377 6.0377 6.7799 6.7799 7.6470 7.6470 7.9102 7.9102 8.0100 8.0100 8.4206 8.4206 8.5153 8.5153 8.5884 8.5884 8.6223 8.6223 8.7425 8.7425 8.9601 8.9601 8.9795 8.9795 9.4977 9.4977 9.5148 9.5148 9.7299 9.7299 9.9785 9.9785 10.5187 10.5187 11.0657 11.0657 16.0017 16.0017 16.2715 16.2715 16.4028 16.4028 k = 0.5129 0.3233-0.3245 ( 4129 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6161 -31.6161 -31.6069 -31.6069 -31.3396 -31.3396 -31.3279 -31.3279 -31.3146 -31.3146 -31.3089 -31.3089 1.8048 1.8048 4.2117 4.2117 5.9248 5.9248 6.0172 6.0172 6.7858 6.7858 7.6368 7.6368 7.9200 7.9200 8.0114 8.0114 8.4191 8.4191 8.5167 8.5167 8.5861 8.5861 8.6242 8.6242 8.7432 8.7432 8.9585 8.9585 8.9837 8.9837 9.4886 9.4886 9.5158 9.5158 9.7308 9.7308 9.9783 9.9783 10.5517 10.5517 11.0649 11.0649 15.8848 15.8848 16.3154 16.3154 16.3469 16.3469 k = 0.5193 0.3274-0.3116 ( 4125 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6161 -31.6161 -31.6069 -31.6069 -31.3396 -31.3396 -31.3279 -31.3279 -31.3147 -31.3147 -31.3088 -31.3088 1.8081 1.8081 4.2161 4.2161 5.9273 5.9273 5.9845 5.9845 6.7949 6.7949 7.6217 7.6217 7.9341 7.9341 8.0140 8.0140 8.4167 8.4167 8.5190 8.5190 8.5825 8.5825 8.6273 8.6273 8.7444 8.7444 8.9572 8.9572 8.9892 8.9892 9.4754 9.4754 9.5167 9.5167 9.7322 9.7322 9.9785 9.9785 10.6049 10.6049 11.0636 11.0636 15.7549 15.7549 16.2048 16.2048 16.4018 16.4018 k = 0.5257 0.3315-0.2988 ( 4129 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6161 -31.6161 -31.6070 -31.6070 -31.3396 -31.3396 -31.3279 -31.3279 -31.3147 -31.3147 -31.3088 -31.3088 1.8127 1.8127 4.2222 4.2222 5.9265 5.9265 5.9452 5.9452 6.8064 6.8064 7.6034 7.6034 7.9497 7.9497 8.0185 8.0185 8.4135 8.4135 8.5220 8.5220 8.5778 8.5778 8.6312 8.6312 8.7463 8.7463 8.9568 8.9568 8.9955 8.9955 9.4594 9.4594 9.5176 9.5176 9.7340 9.7340 9.9793 9.9793 10.6763 10.6763 11.0618 11.0618 15.6190 15.6190 16.0826 16.0826 16.4301 16.4301 k = 0.5322 0.3355-0.2860 ( 4133 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6160 -31.6160 -31.6070 -31.6070 -31.3396 -31.3396 -31.3278 -31.3278 -31.3148 -31.3148 -31.3088 -31.3088 1.8186 1.8186 4.2299 4.2299 5.8835 5.8835 5.9398 5.9398 6.8195 6.8195 7.5833 7.5833 7.9643 7.9643 8.0260 8.0260 8.4095 8.4095 8.5256 8.5256 8.5722 8.5722 8.6358 8.6358 8.7491 8.7491 8.9575 8.9575 9.0021 9.0021 9.4419 9.4419 9.5184 9.5184 9.7359 9.7359 9.9811 9.9811 10.7635 10.7635 11.0595 11.0595 15.4799 15.4799 15.9558 15.9558 16.4296 16.4296 k = 0.5386 0.3396-0.2731 ( 4134 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6160 -31.6160 -31.6071 -31.6071 -31.3396 -31.3396 -31.3277 -31.3277 -31.3150 -31.3150 -31.3087 -31.3087 1.8255 1.8255 4.2391 4.2391 5.8228 5.8228 5.9457 5.9457 6.8335 6.8335 7.5623 7.5623 7.9756 7.9756 8.0375 8.0375 8.4050 8.4050 8.5292 8.5292 8.5664 8.5664 8.6410 8.6410 8.7529 8.7529 8.9595 8.9595 9.0089 9.0089 9.4238 9.4238 9.5193 9.5193 9.7381 9.7381 9.9838 9.9838 10.8646 10.8646 11.0568 11.0568 15.3391 15.3391 15.8276 15.8276 16.4032 16.4032 k = 0.5450 0.3436-0.2603 ( 4134 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6159 -31.6159 -31.6071 -31.6071 -31.3396 -31.3396 -31.3277 -31.3277 -31.3151 -31.3151 -31.3086 -31.3086 1.8334 1.8334 4.2497 4.2497 5.7555 5.7555 5.9532 5.9532 6.8479 6.8479 7.5411 7.5411 7.9834 7.9834 8.0524 8.0524 8.4000 8.4000 8.5317 8.5317 8.5616 8.5616 8.6464 8.6464 8.7579 8.7579 8.9627 8.9627 9.0156 9.0156 9.4060 9.4060 9.5203 9.5203 9.7404 9.7404 9.9876 9.9876 10.9772 10.9772 11.0544 11.0544 15.1975 15.1975 15.6995 15.6995 16.3557 16.3557 k = 0.5514 0.3477-0.2475 ( 4132 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6159 -31.6159 -31.6072 -31.6072 -31.3396 -31.3396 -31.3276 -31.3276 -31.3152 -31.3152 -31.3086 -31.3086 1.8422 1.8422 4.2616 4.2616 5.6837 5.6837 5.9620 5.9620 6.8624 6.8624 7.5200 7.5200 7.9884 7.9884 8.0693 8.0693 8.3948 8.3948 8.5304 8.5304 8.5606 8.5606 8.6521 8.6521 8.7642 8.7642 8.9672 8.9672 9.0222 9.0222 9.3891 9.3891 9.5214 9.5214 9.7429 9.7429 9.9925 9.9925 11.0469 11.0469 11.1051 11.1051 15.0559 15.0559 15.5725 15.5725 16.2922 16.2922 k = 0.5579 0.3517-0.2346 ( 4137 PWs) bands (ev): -64.6696 -64.6696 -64.6660 -64.6660 -31.6158 -31.6158 -31.6073 -31.6073 -31.3396 -31.3396 -31.3275 -31.3275 -31.3154 -31.3154 -31.3085 -31.3085 1.8517 1.8517 4.2744 4.2744 5.6090 5.6090 5.9720 5.9720 6.8768 6.8768 7.4991 7.4991 7.9919 7.9919 8.0865 8.0865 8.3896 8.3896 8.5242 8.5242 8.5646 8.5646 8.6577 8.6577 8.7718 8.7718 8.9727 8.9727 9.0285 9.0285 9.3734 9.3734 9.5226 9.5226 9.7456 9.7456 9.9983 9.9983 11.0441 11.0441 11.2372 11.2372 14.9146 14.9146 15.4472 15.4472 16.2169 16.2169 k = 0.5643 0.3558-0.2218 ( 4131 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6158 -31.6158 -31.6073 -31.6073 -31.3396 -31.3396 -31.3274 -31.3274 -31.3155 -31.3155 -31.3084 -31.3084 1.8616 1.8616 4.2879 4.2879 5.5328 5.5328 5.9831 5.9831 6.8908 6.8908 7.4785 7.4785 7.9946 7.9946 8.1031 8.1031 8.3846 8.3846 8.5147 8.5147 8.5722 8.5722 8.6633 8.6633 8.7809 8.7809 8.9792 8.9792 9.0346 9.0346 9.3594 9.3594 9.5239 9.5239 9.7484 9.7484 10.0051 10.0051 11.0396 11.0396 11.3787 11.3787 14.7740 14.7740 15.3239 15.3239 16.1331 16.1331 k = 0.5707 0.3598-0.2090 ( 4131 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6157 -31.6157 -31.6074 -31.6074 -31.3396 -31.3396 -31.3273 -31.3273 -31.3156 -31.3156 -31.3083 -31.3083 1.8718 1.8718 4.3018 4.3018 5.4567 5.4567 5.9953 5.9953 6.9046 6.9046 7.4582 7.4582 7.9968 7.9968 8.1184 8.1184 8.3801 8.3801 8.5035 8.5035 8.5818 8.5818 8.6688 8.6688 8.7914 8.7914 8.9865 8.9865 9.0405 9.0405 9.3471 9.3471 9.5252 9.5252 9.7515 9.7515 10.0127 10.0127 11.0346 11.0346 11.5273 11.5273 14.6344 14.6344 15.2028 15.2028 16.0433 16.0433 k = 0.5772 0.3639-0.1961 ( 4134 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6156 -31.6156 -31.6075 -31.6075 -31.3396 -31.3396 -31.3273 -31.3273 -31.3158 -31.3158 -31.3083 -31.3083 1.8820 1.8820 4.3156 4.3156 5.3821 5.3821 6.0085 6.0085 6.9179 6.9179 7.4383 7.4383 7.9987 7.9987 8.1318 8.1318 8.3763 8.3763 8.4913 8.4913 8.5930 8.5930 8.6740 8.6740 8.8033 8.8033 8.9941 8.9941 9.0463 9.0463 9.3366 9.3366 9.5267 9.5267 9.7547 9.7547 10.0211 10.0211 11.0292 11.0292 11.6818 11.6818 14.4960 14.4960 15.0841 15.0841 15.9496 15.9496 k = 0.5836 0.3679-0.1833 ( 4132 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6155 -31.6155 -31.6076 -31.6076 -31.3396 -31.3396 -31.3272 -31.3272 -31.3159 -31.3159 -31.3082 -31.3082 1.8919 1.8919 4.3286 4.3286 5.3107 5.3107 6.0227 6.0227 6.9309 6.9309 7.4186 7.4186 8.0004 8.0004 8.1432 8.1432 8.3734 8.3734 8.4786 8.4786 8.6054 8.6054 8.6791 8.6791 8.8164 8.8164 9.0016 9.0016 9.0523 9.0523 9.3282 9.3282 9.5282 9.5282 9.7581 9.7581 10.0304 10.0304 11.0234 11.0234 11.8410 11.8410 14.3590 14.3590 14.9680 14.9680 15.8535 15.8535 k = 0.5900 0.3720-0.1705 ( 4140 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6155 -31.6155 -31.6077 -31.6077 -31.3396 -31.3396 -31.3271 -31.3271 -31.3160 -31.3160 -31.3082 -31.3082 1.9012 1.9012 4.3402 4.3402 5.2440 5.2440 6.0379 6.0379 6.9433 6.9434 7.3992 7.3992 8.0021 8.0021 8.1524 8.1524 8.3716 8.3716 8.4656 8.4656 8.6187 8.6187 8.6841 8.6841 8.8307 8.8307 9.0085 9.0085 9.0588 9.0588 9.3218 9.3218 9.5298 9.5298 9.7617 9.7617 10.0404 10.0404 11.0173 11.0173 12.0038 12.0038 14.2234 14.2234 14.8545 14.8545 15.7560 15.7560 k = 0.5965 0.3761-0.1576 ( 4150 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6154 -31.6154 -31.6078 -31.6078 -31.3396 -31.3396 -31.3271 -31.3271 -31.3162 -31.3162 -31.3082 -31.3082 1.9094 1.9094 4.3495 4.3495 5.1839 5.1839 6.0540 6.0540 6.9554 6.9554 7.3800 7.3800 8.0036 8.0036 8.1591 8.1591 8.3707 8.3707 8.4527 8.4527 8.6323 8.6323 8.6898 8.6898 8.8462 8.8462 9.0142 9.0142 9.0664 9.0664 9.3175 9.3175 9.5314 9.5314 9.7654 9.7654 10.0512 10.0512 11.0110 11.0110 12.1690 12.1690 14.0893 14.0893 14.7438 14.7438 15.6582 15.6582 k = 0.6029 0.3801-0.1448 ( 4146 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6153 -31.6153 -31.6078 -31.6078 -31.3396 -31.3396 -31.3271 -31.3271 -31.3162 -31.3162 -31.3081 -31.3081 1.9161 1.9161 4.3556 4.3556 5.1320 5.1320 6.0710 6.0710 6.9669 6.9669 7.3610 7.3610 8.0051 8.0051 8.1635 8.1635 8.3705 8.3705 8.4408 8.4408 8.6450 8.6450 8.6970 8.6970 8.8627 8.8627 9.0181 9.0181 9.0755 9.0755 9.3152 9.3152 9.5331 9.5331 9.7693 9.7693 10.0628 10.0628 11.0046 11.0046 12.3350 12.3350 13.9568 13.9568 14.6360 14.6360 15.5608 15.5608 k = 0.6093 0.3842-0.1320 ( 4140 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6153 -31.6153 -31.6079 -31.6079 -31.3396 -31.3396 -31.3270 -31.3270 -31.3163 -31.3163 -31.3081 -31.3081 1.9210 1.9210 4.3577 4.3577 5.0900 5.0900 6.0889 6.0889 6.9778 6.9778 7.3421 7.3421 8.0064 8.0064 8.1658 8.1658 8.3696 8.3696 8.4308 8.4308 8.6552 8.6552 8.7074 8.7074 8.8802 8.8802 9.0201 9.0201 9.0861 9.0861 9.3151 9.3151 9.5348 9.5348 9.7734 9.7734 10.0752 10.0752 10.9980 10.9980 12.5002 12.5002 13.8259 13.8259 14.5312 14.5312 15.4645 15.4645 k = 0.6158 0.3882-0.1191 ( 4136 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6152 -31.6152 -31.6079 -31.6079 -31.3396 -31.3396 -31.3270 -31.3270 -31.3163 -31.3163 -31.3080 -31.3080 1.9235 1.9235 4.3553 4.3553 5.0592 5.0592 6.1076 6.1076 6.9881 6.9881 7.3235 7.3235 8.0077 8.0077 8.1661 8.1661 8.3664 8.3664 8.4244 8.4244 8.6620 8.6620 8.7220 8.7220 8.8986 8.8986 9.0203 9.0203 9.0981 9.0981 9.3171 9.3171 9.5366 9.5366 9.7776 9.7776 10.0884 10.0884 10.9914 10.9914 12.6626 12.6626 13.6967 13.6967 14.4298 14.4298 15.3698 15.3698 k = 0.6158 0.3882-0.1191 ( 4136 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6152 -31.6152 -31.6079 -31.6079 -31.3396 -31.3396 -31.3270 -31.3270 -31.3163 -31.3163 -31.3080 -31.3080 1.9235 1.9235 4.3553 4.3553 5.0592 5.0592 6.1076 6.1076 6.9881 6.9881 7.3235 7.3235 8.0077 8.0077 8.1661 8.1661 8.3664 8.3664 8.4244 8.4244 8.6620 8.6620 8.7220 8.7220 8.8986 8.8986 9.0203 9.0203 9.0981 9.0981 9.3171 9.3171 9.5366 9.5366 9.7776 9.7776 10.0884 10.0884 10.9914 10.9914 12.6626 12.6626 13.6967 13.6967 14.4298 14.4298 15.3698 15.3698 k = 0.6113 0.3854-0.1057 ( 4146 PWs) bands (ev): -64.6694 -64.6694 -64.6663 -64.6663 -31.6151 -31.6151 -31.6081 -31.6081 -31.3395 -31.3395 -31.3272 -31.3272 -31.3162 -31.3162 -31.3081 -31.3081 1.9385 1.9385 4.3041 4.3041 5.0851 5.0851 6.1092 6.1092 6.9767 6.9767 7.3116 7.3116 8.0037 8.0037 8.1835 8.1835 8.3542 8.3542 8.4222 8.4222 8.6623 8.6623 8.7282 8.7282 8.9182 8.9182 9.0324 9.0324 9.1225 9.1225 9.3303 9.3303 9.5389 9.5389 9.7849 9.7849 10.0775 10.0775 10.9883 10.9883 12.7355 12.7355 13.5757 13.5757 14.3326 14.3326 15.3680 15.3680 k = 0.6068 0.3826-0.0922 ( 4146 PWs) bands (ev): -64.6694 -64.6694 -64.6663 -64.6663 -31.6149 -31.6149 -31.6083 -31.6083 -31.3394 -31.3394 -31.3275 -31.3275 -31.3160 -31.3160 -31.3082 -31.3082 1.9509 1.9509 4.2526 4.2526 5.1174 5.1174 6.1114 6.1114 6.9641 6.9641 7.3012 7.3012 8.0003 8.0003 8.2000 8.2000 8.3360 8.3360 8.4273 8.4273 8.6624 8.6624 8.7333 8.7333 8.9381 8.9381 9.0459 9.0459 9.1477 9.1477 9.3442 9.3442 9.5412 9.5412 9.7927 9.7927 10.0667 10.0667 10.9842 10.9842 12.8015 12.8015 13.4557 13.4557 14.2455 14.2455 15.3688 15.3688 k = 0.6024 0.3798-0.0787 ( 4146 PWs) bands (ev): -64.6693 -64.6693 -64.6664 -64.6664 -31.6147 -31.6147 -31.6085 -31.6085 -31.3392 -31.3392 -31.3277 -31.3277 -31.3159 -31.3159 -31.3082 -31.3082 1.9609 1.9609 4.2013 4.2013 5.1555 5.1555 6.1144 6.1144 6.9503 6.9503 7.2920 7.2920 7.9973 7.9973 8.2155 8.2155 8.3160 8.3160 8.4352 8.4352 8.6626 8.6626 8.7372 8.7372 8.9585 8.9585 9.0610 9.0610 9.1733 9.1733 9.3586 9.3586 9.5437 9.5437 9.8008 9.8008 10.0560 10.0560 10.9788 10.9788 12.8574 12.8574 13.3376 13.3376 14.1716 14.1716 15.3715 15.3715 k = 0.5979 0.3770-0.0653 ( 4146 PWs) bands (ev): -64.6693 -64.6693 -64.6664 -64.6664 -31.6146 -31.6146 -31.6086 -31.6086 -31.3391 -31.3391 -31.3279 -31.3279 -31.3157 -31.3157 -31.3083 -31.3083 1.9685 1.9685 4.1506 4.1506 5.1985 5.1985 6.1178 6.1178 6.9358 6.9358 7.2839 7.2839 7.9949 7.9949 8.2294 8.2294 8.2968 8.2968 8.4440 8.4440 8.6631 8.6631 8.7402 8.7402 8.9794 8.9794 9.0777 9.0777 9.1989 9.1989 9.3733 9.3733 9.5463 9.5463 9.8092 9.8092 10.0455 10.0455 10.9721 10.9721 12.8998 12.8998 13.2220 13.2220 14.1143 14.1143 15.3758 15.3758 k = 0.5935 0.3742-0.0518 ( 4142 PWs) bands (ev): -64.6692 -64.6692 -64.6664 -64.6664 -31.6144 -31.6144 -31.6088 -31.6088 -31.3390 -31.3390 -31.3281 -31.3281 -31.3155 -31.3155 -31.3083 -31.3083 1.9741 1.9741 4.1009 4.1009 5.2459 5.2459 6.1218 6.1218 6.9208 6.9208 7.2765 7.2765 7.9929 7.9929 8.2386 8.2386 8.2821 8.2821 8.4526 8.4526 8.6639 8.6639 8.7424 8.7424 9.0008 9.0008 9.0959 9.0959 9.2242 9.2242 9.3883 9.3883 9.5490 9.5490 9.8177 9.8177 10.0351 10.0351 10.9639 10.9639 12.9252 12.9252 13.1095 13.1095 14.0770 14.0770 15.3814 15.3814 k = 0.5890 0.3714-0.0383 ( 4146 PWs) bands (ev): -64.6692 -64.6692 -64.6665 -64.6665 -31.6143 -31.6143 -31.6090 -31.6090 -31.3389 -31.3389 -31.3284 -31.3284 -31.3153 -31.3153 -31.3084 -31.3084 1.9779 1.9779 4.0525 4.0525 5.2970 5.2970 6.1262 6.1262 6.9055 6.9055 7.2698 7.2698 7.9914 7.9914 8.2350 8.2350 8.2806 8.2806 8.4604 8.4604 8.6653 8.6653 8.7439 8.7439 9.0230 9.0230 9.1154 9.1154 9.2491 9.2491 9.4035 9.4035 9.5519 9.5519 9.8262 9.8262 10.0250 10.0250 10.9542 10.9542 12.9306 12.9306 13.0010 13.0010 14.0622 14.0622 15.3879 15.3879 k = 0.5846 0.3686-0.0249 ( 4161 PWs) bands (ev): -64.6692 -64.6692 -64.6665 -64.6665 -31.6142 -31.6142 -31.6092 -31.6092 -31.3387 -31.3387 -31.3286 -31.3286 -31.3152 -31.3152 -31.3085 -31.3085 1.9799 1.9799 4.0057 4.0057 5.3513 5.3513 6.1310 6.1310 6.8900 6.8900 7.2635 7.2635 7.9902 7.9902 8.2203 8.2203 8.2905 8.2905 8.4669 8.4669 8.6672 8.6672 8.7449 8.7449 9.0459 9.0459 9.1361 9.1361 9.2736 9.2736 9.4186 9.4186 9.5551 9.5551 9.8348 9.8348 10.0150 10.0150 10.9427 10.9427 12.8937 12.8937 12.9188 12.9188 14.0698 14.0698 15.3951 15.3951 k = 0.5801 0.3658-0.0114 ( 4165 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6140 -31.6140 -31.6093 -31.6093 -31.3386 -31.3386 -31.3289 -31.3289 -31.3150 -31.3150 -31.3086 -31.3086 1.9805 1.9805 3.9607 3.9607 5.4081 5.4081 6.1360 6.1360 6.8747 6.8747 7.2577 7.2577 7.9894 7.9894 8.2027 8.2027 8.3036 8.3036 8.4719 8.4719 8.6696 8.6696 8.7456 8.7456 9.0698 9.0698 9.1578 9.1578 9.2973 9.2973 9.4338 9.4338 9.5585 9.5585 9.8431 9.8431 10.0054 10.0054 10.9295 10.9295 12.7948 12.7948 12.8849 12.8849 14.0972 14.0972 15.4027 15.4027 k = 0.5757 0.3630 0.0021 ( 4165 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6139 -31.6139 -31.6094 -31.6094 -31.3385 -31.3385 -31.3292 -31.3292 -31.3148 -31.3148 -31.3087 -31.3087 1.9798 1.9798 3.9175 3.9175 5.4670 5.4670 6.1413 6.1413 6.8597 6.8597 7.2521 7.2521 7.9889 7.9889 8.1849 8.1849 8.3173 8.3173 8.4752 8.4752 8.6726 8.6726 8.7461 8.7461 9.0948 9.0948 9.1804 9.1804 9.3203 9.3203 9.4487 9.4487 9.5622 9.5622 9.8512 9.8512 9.9960 9.9960 10.9143 10.9143 12.6996 12.6996 12.8377 12.8377 14.1398 14.1398 15.4078 15.4078 k = 0.5712 0.3601 0.0155 ( 4164 PWs) bands (ev): -64.6691 -64.6691 -64.6666 -64.6666 -31.6138 -31.6138 -31.6096 -31.6096 -31.3383 -31.3383 -31.3294 -31.3294 -31.3146 -31.3146 -31.3088 -31.3088 1.9780 1.9780 3.8763 3.8763 5.5273 5.5273 6.1467 6.1467 6.8451 6.8451 7.2468 7.2468 7.9888 7.9888 8.1675 8.1675 8.3307 8.3307 8.4766 8.4766 8.6761 8.6761 8.7464 8.7464 9.1210 9.1210 9.2037 9.2037 9.3424 9.3424 9.4635 9.4635 9.5665 9.5665 9.8589 9.8589 9.9870 9.9870 10.8971 10.8971 12.6095 12.6095 12.7799 12.7799 14.1920 14.1920 15.3245 15.3245 k = 0.5668 0.3573 0.0290 ( 4166 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6137 -31.6137 -31.6097 -31.6097 -31.3382 -31.3382 -31.3297 -31.3297 -31.3144 -31.3144 -31.3089 -31.3089 1.9754 1.9754 3.8373 3.8373 5.5885 5.5885 6.1522 6.1522 6.8310 6.8310 7.2417 7.2417 7.9890 7.9890 8.1508 8.1508 8.3433 8.3433 8.4759 8.4759 8.6800 8.6800 8.7467 8.7467 9.1485 9.1485 9.2277 9.2277 9.3634 9.3634 9.4780 9.4780 9.5713 9.5713 9.8661 9.8661 9.9784 9.9784 10.8778 10.8778 12.5249 12.5249 12.7150 12.7150 14.2479 14.2479 15.2262 15.2262 k = 0.5623 0.3545 0.0425 ( 4168 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6136 -31.6136 -31.6098 -31.6098 -31.3380 -31.3380 -31.3299 -31.3299 -31.3142 -31.3142 -31.3090 -31.3090 1.9722 1.9722 3.8005 3.8005 5.6500 5.6500 6.1577 6.1577 6.8175 6.8175 7.2368 7.2368 7.9896 7.9896 8.1350 8.1350 8.3550 8.3550 8.4730 8.4730 8.6842 8.6842 8.7470 8.7470 9.1772 9.1772 9.2522 9.2522 9.3833 9.3833 9.4922 9.4922 9.5768 9.5768 9.8725 9.8725 9.9702 9.9702 10.8565 10.8565 12.4461 12.4461 12.6458 12.6458 14.3007 14.3007 15.1405 15.1405 k = 0.5579 0.3517 0.0559 ( 4172 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6135 -31.6135 -31.6099 -31.6099 -31.3379 -31.3379 -31.3302 -31.3302 -31.3140 -31.3140 -31.3091 -31.3091 1.9684 1.9684 3.7659 3.7659 5.7112 5.7112 6.1631 6.1631 6.8048 6.8048 7.2322 7.2322 7.9905 7.9905 8.1201 8.1201 8.3656 8.3656 8.4680 8.4680 8.6886 8.6886 8.7474 8.7474 9.2071 9.2071 9.2769 9.2769 9.4019 9.4019 9.5064 9.5064 9.5831 9.5831 9.8781 9.8781 9.9624 9.9624 10.8331 10.8331 12.3733 12.3733 12.5743 12.5743 14.3423 14.3423 15.0750 15.0750 k = 0.5534 0.3489 0.0694 ( 4176 PWs) bands (ev): -64.6690 -64.6690 -64.6667 -64.6667 -31.6134 -31.6134 -31.6100 -31.6100 -31.3377 -31.3377 -31.3304 -31.3304 -31.3138 -31.3138 -31.3092 -31.3092 1.9642 1.9642 3.7338 3.7338 5.7715 5.7715 6.1684 6.1684 6.7929 6.7929 7.2279 7.2279 7.9919 7.9919 8.1062 8.1062 8.3751 8.3751 8.4609 8.4609 8.6931 8.6931 8.7479 8.7479 9.2380 9.2380 9.3016 9.3016 9.4190 9.4190 9.5207 9.5207 9.5904 9.5904 9.8827 9.8827 9.9549 9.9549 10.8080 10.8080 12.3066 12.3066 12.5023 12.5023 14.3641 14.3641 15.0376 15.0376 k = 0.5490 0.3461 0.0829 ( 4172 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6133 -31.6133 -31.6101 -31.6101 -31.3376 -31.3376 -31.3306 -31.3306 -31.3136 -31.3136 -31.3093 -31.3093 1.9599 1.9599 3.7040 3.7040 5.8304 5.8304 6.1735 6.1735 6.7818 6.7818 7.2239 7.2239 7.9936 7.9936 8.0933 8.0933 8.3833 8.3833 8.4517 8.4517 8.6975 8.6975 8.7486 8.7486 9.2694 9.2694 9.3260 9.3260 9.4345 9.4345 9.5355 9.5355 9.5987 9.5987 9.8861 9.8861 9.9477 9.9477 10.7812 10.7812 12.2461 12.2461 12.4310 12.4310 14.3607 14.3607 15.0330 15.0330 k = 0.5445 0.3433 0.0963 ( 4174 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6132 -31.6132 -31.6102 -31.6102 -31.3374 -31.3374 -31.3309 -31.3309 -31.3134 -31.3134 -31.3094 -31.3094 1.9556 1.9556 3.6766 3.6766 5.8872 5.8872 6.1784 6.1784 6.7716 6.7716 7.2201 7.2201 7.9958 7.9958 8.0815 8.0815 8.3903 8.3903 8.4408 8.4408 8.7017 8.7017 8.7494 8.7494 9.3009 9.3009 9.3498 9.3498 9.4481 9.4481 9.5513 9.5513 9.6081 9.6081 9.8881 9.8881 9.9408 9.9408 10.7533 10.7533 12.1918 12.1918 12.3615 12.3615 14.3340 14.3340 15.0585 15.0585 k = 0.5401 0.3405 0.1098 ( 4174 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6131 -31.6131 -31.6103 -31.6103 -31.3372 -31.3372 -31.3311 -31.3311 -31.3133 -31.3133 -31.3095 -31.3095 1.9513 1.9513 3.6518 3.6518 5.9412 5.9412 6.1830 6.1830 6.7624 6.7624 7.2168 7.2168 7.9984 7.9984 8.0707 8.0707 8.3959 8.3959 8.4285 8.4285 8.7055 8.7055 8.7505 8.7505 9.3318 9.3318 9.3724 9.3724 9.4597 9.4597 9.5684 9.5684 9.6188 9.6188 9.8886 9.8886 9.9340 9.9340 10.7246 10.7246 12.1435 12.1435 12.2949 12.2949 14.2921 14.2921 15.1056 15.1056 k = 0.5356 0.3377 0.1233 ( 4178 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6130 -31.6130 -31.6104 -31.6104 -31.3371 -31.3371 -31.3313 -31.3313 -31.3131 -31.3131 -31.3096 -31.3096 1.9471 1.9471 3.6295 3.6295 5.9918 5.9918 6.1873 6.1873 6.7542 6.7542 7.2137 7.2137 8.0014 8.0014 8.0610 8.0610 8.3993 8.3993 8.4163 8.4163 8.7089 8.7089 8.7518 8.7518 9.3613 9.3613 9.3935 9.3935 9.4695 9.4695 9.5873 9.5873 9.6307 9.6307 9.8875 9.8875 9.9271 9.9271 10.6959 10.6959 12.1011 12.1011 12.2319 12.2319 14.2429 14.2429 15.1650 15.1650 k = 0.5312 0.3349 0.1367 ( 4170 PWs) bands (ev): -64.6689 -64.6689 -64.6668 -64.6668 -31.6130 -31.6130 -31.6104 -31.6104 -31.3370 -31.3370 -31.3315 -31.3315 -31.3129 -31.3129 -31.3097 -31.3097 1.9432 1.9432 3.6097 3.6097 6.0384 6.0384 6.1911 6.1911 6.7469 6.7469 7.2111 7.2111 8.0048 8.0048 8.0525 8.0525 8.3946 8.3946 8.4106 8.4106 8.7119 8.7119 8.7531 8.7531 9.3885 9.3885 9.4127 9.4127 9.4775 9.4775 9.6079 9.6079 9.6439 9.6439 9.8848 9.8848 9.9198 9.9198 10.6677 10.6677 12.0642 12.0642 12.1736 12.1736 14.1927 14.1927 15.2297 15.2297 k = 0.5267 0.3321 0.1502 ( 4163 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6129 -31.6129 -31.6105 -31.6105 -31.3368 -31.3368 -31.3317 -31.3317 -31.3127 -31.3127 -31.3098 -31.3098 1.9397 1.9397 3.5926 3.5926 6.0803 6.0803 6.1946 6.1946 6.7407 6.7407 7.2088 7.2088 8.0084 8.0084 8.0450 8.0450 8.3818 8.3818 8.4120 8.4120 8.7143 8.7143 8.7546 8.7546 9.4125 9.4125 9.4300 9.4300 9.4839 9.4839 9.6301 9.6301 9.6583 9.6583 9.8805 9.8805 9.9119 9.9119 10.6409 10.6409 12.0326 12.0326 12.1209 12.1209 14.1451 14.1451 15.2947 15.2947 k = 0.5223 0.3293 0.1637 ( 4158 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6129 -31.6129 -31.6105 -31.6105 -31.3367 -31.3367 -31.3318 -31.3318 -31.3126 -31.3126 -31.3099 -31.3099 1.9366 1.9366 3.5780 3.5780 6.1169 6.1169 6.1976 6.1976 6.7355 6.7355 7.2070 7.2070 8.0122 8.0122 8.0387 8.0387 8.3679 8.3679 8.4143 8.4143 8.7163 8.7163 8.7560 8.7560 9.4319 9.4319 9.4457 9.4457 9.4891 9.4891 9.6532 9.6532 9.6739 9.6739 9.8747 9.8747 9.9032 9.9032 10.6164 10.6164 12.0057 12.0057 12.0749 12.0749 14.1025 14.1025 15.3561 15.3561 k = 0.5178 0.3265 0.1771 ( 4158 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6128 -31.6128 -31.6105 -31.6105 -31.3366 -31.3366 -31.3320 -31.3320 -31.3124 -31.3124 -31.3100 -31.3100 1.9340 1.9340 3.5661 3.5661 6.1477 6.1477 6.2000 6.2000 6.7313 6.7313 7.2055 7.2055 8.0159 8.0159 8.0336 8.0336 8.3548 8.3548 8.4162 8.4162 8.7179 8.7179 8.7572 8.7572 9.4462 9.4462 9.4601 9.4601 9.4931 9.4931 9.6762 9.6762 9.6900 9.6900 9.8676 9.8676 9.8937 9.8937 10.5949 10.5949 11.9832 11.9832 12.0369 12.0369 14.0663 14.0663 15.4108 15.4108 k = 0.5134 0.3237 0.1906 ( 4154 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6128 -31.6128 -31.6106 -31.6106 -31.3365 -31.3365 -31.3321 -31.3321 -31.3123 -31.3123 -31.3101 -31.3101 1.9319 1.9319 3.5568 3.5568 6.1722 6.1722 6.2020 6.2020 6.7280 6.7280 7.2043 7.2043 8.0192 8.0192 8.0296 8.0296 8.3435 8.3435 8.4178 8.4178 8.7191 8.7191 8.7583 8.7583 9.4560 9.4560 9.4723 9.4723 9.4963 9.4963 9.6980 9.6980 9.7058 9.7058 9.8595 9.8595 9.8839 9.8839 10.5772 10.5772 11.9643 11.9643 12.0078 12.0078 14.0374 14.0374 15.4561 15.4561 k = 0.5089 0.3209 0.2041 ( 4148 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3364 -31.3364 -31.3322 -31.3322 -31.3122 -31.3122 -31.3101 -31.3101 1.9304 1.9304 3.5501 3.5501 6.1899 6.1899 6.2035 6.2035 6.7257 6.7257 7.2035 7.2035 8.0218 8.0218 8.0269 8.0269 8.3348 8.3348 8.4188 8.4188 8.7199 8.7199 8.7592 8.7592 9.4624 9.4624 9.4812 9.4812 9.4985 9.4985 9.7166 9.7166 9.7198 9.7198 9.8514 9.8514 9.8747 9.8747 10.5641 10.5641 11.9493 11.9493 11.9881 11.9881 14.0165 14.0165 15.4890 15.4890 k = 0.5045 0.3180 0.2175 ( 4151 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3363 -31.3363 -31.3323 -31.3323 -31.3122 -31.3122 -31.3101 -31.3101 1.9295 1.9295 3.5461 3.5461 6.2003 6.2003 6.2047 6.2047 6.7244 6.7244 7.2030 7.2030 8.0232 8.0232 8.0256 8.0256 8.3293 8.3293 8.4195 8.4195 8.7203 8.7203 8.7597 8.7597 9.4660 9.4660 9.4866 9.4866 9.4999 9.4999 9.7294 9.7294 9.7302 9.7302 9.8449 9.8449 9.8678 9.8678 10.5559 10.5559 11.9394 11.9394 11.9771 11.9771 14.0038 14.0038 15.5067 15.5067 k = 0.5000 0.3152 0.2310 ( 4152 PWs) bands (ev): -64.6688 -64.6688 -64.6669 -64.6669 -31.6127 -31.6127 -31.6106 -31.6106 -31.3363 -31.3363 -31.3323 -31.3323 -31.3122 -31.3122 -31.3102 -31.3102 1.9292 1.9292 3.5448 3.5448 6.2030 6.2030 6.2059 6.2059 6.7239 6.7239 7.2029 7.2029 8.0233 8.0233 8.0255 8.0255 8.3274 8.3274 8.4197 8.4197 8.7205 8.7205 8.7598 8.7598 9.4672 9.4672 9.4884 9.4884 9.5004 9.5004 9.7333 9.7333 9.7350 9.7350 9.8422 9.8422 9.8651 9.8651 10.5532 10.5532 11.9359 11.9359 11.9736 11.9736 13.9995 13.9995 15.5112 15.5112 k = 0.5000-0.2389-0.1751 ( 4138 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3201 -31.3201 -31.3066 -31.3066 1.1668 1.1668 3.9836 3.9836 6.8472 6.8472 6.8721 6.8721 7.2285 7.2285 7.4200 7.4200 7.8846 7.8846 8.1990 8.1990 8.3710 8.3710 8.4496 8.4496 8.5614 8.5614 8.7131 8.7131 8.7331 8.7331 8.8217 8.8217 9.0752 9.0752 9.5655 9.5655 9.7346 9.7346 10.1801 10.1801 10.2694 10.2694 11.1303 11.1303 11.7362 11.7362 12.4169 12.4169 14.2530 14.2530 15.3796 15.3796 k = 0.5075-0.2287-0.1676 ( 4132 PWs) bands (ev): -64.6707 -64.6707 -64.6650 -64.6650 -31.6196 -31.6196 -31.6029 -31.6029 -31.3420 -31.3420 -31.3226 -31.3226 -31.3201 -31.3201 -31.3066 -31.3066 1.1679 1.1679 3.9847 3.9847 6.8239 6.8239 6.8898 6.8898 7.2250 7.2250 7.4225 7.4225 7.8836 7.8836 8.1986 8.1986 8.3722 8.3722 8.4490 8.4490 8.5623 8.5623 8.7129 8.7129 8.7340 8.7340 8.8220 8.8220 9.0751 9.0751 9.5653 9.5653 9.7346 9.7346 10.1709 10.1709 10.2708 10.2708 11.1434 11.1434 11.7312 11.7312 12.4182 12.4182 14.2608 14.2608 15.3770 15.3770 k = 0.5149-0.2186-0.1602 ( 4138 PWs) bands (ev): -64.6706 -64.6706 -64.6650 -64.6650 -31.6196 -31.6196 -31.6030 -31.6030 -31.3420 -31.3420 -31.3226 -31.3226 -31.3200 -31.3200 -31.3066 -31.3066 1.1712 1.1712 3.9882 3.9882 6.7858 6.7858 6.9115 6.9115 7.2144 7.2144 7.4298 7.4298 7.8806 7.8806 8.1975 8.1975 8.3759 8.3759 8.4476 8.4476 8.5652 8.5652 8.7122 8.7122 8.7367 8.7367 8.8232 8.8232 9.0750 9.0750 9.5645 9.5645 9.7347 9.7347 10.1437 10.1437 10.2766 10.2766 11.1804 11.1804 11.7169 11.7169 12.4221 12.4221 14.2838 14.2838 15.3697 15.3697 k = 0.5224-0.2084-0.1527 ( 4143 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6196 -31.6196 -31.6030 -31.6030 -31.3420 -31.3420 -31.3227 -31.3227 -31.3200 -31.3200 -31.3067 -31.3067 1.1768 1.1768 3.9940 3.9940 6.7409 6.7409 6.9299 6.9299 7.1973 7.1973 7.4409 7.4409 7.8758 7.8758 8.1957 8.1957 8.3816 8.3816 8.4453 8.4453 8.5697 8.5697 8.7114 8.7114 8.7407 8.7407 8.8250 8.8250 9.0748 9.0748 9.5632 9.5632 9.7349 9.7349 10.1009 10.1009 10.2884 10.2884 11.2353 11.2353 11.6955 11.6955 12.4286 12.4286 14.3202 14.3202 15.3589 15.3589 k = 0.5299-0.1982-0.1453 ( 4139 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6195 -31.6195 -31.6031 -31.6031 -31.3420 -31.3420 -31.3227 -31.3227 -31.3200 -31.3200 -31.3067 -31.3067 1.1847 1.1847 4.0021 4.0021 6.6897 6.6897 6.9454 6.9454 7.1741 7.1741 7.4546 7.4546 7.8696 7.8696 8.1933 8.1933 8.3888 8.3888 8.4425 8.4425 8.5757 8.5757 8.7109 8.7109 8.7457 8.7457 8.8275 8.8275 9.0745 9.0745 9.5616 9.5616 9.7351 9.7351 10.0475 10.0475 10.3061 10.3061 11.2994 11.2994 11.6721 11.6721 12.4379 12.4379 14.3674 14.3674 15.3465 15.3465 k = 0.5373-0.1881-0.1378 ( 4144 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6195 -31.6195 -31.6031 -31.6031 -31.3420 -31.3420 -31.3228 -31.3228 -31.3199 -31.3199 -31.3067 -31.3067 1.1947 1.1947 4.0126 4.0126 6.6327 6.6327 6.9587 6.9587 7.1455 7.1455 7.4697 7.4697 7.8623 7.8623 8.1904 8.1904 8.3969 8.3969 8.4395 8.4395 8.5829 8.5829 8.7107 8.7107 8.7516 8.7516 8.8306 8.8306 9.0740 9.0740 9.5596 9.5596 9.7354 9.7354 9.9878 9.9878 10.3291 10.3291 11.3584 11.3584 11.6582 11.6582 12.4502 12.4502 14.4217 14.4217 15.3356 15.3356 k = 0.5448-0.1779-0.1304 ( 4144 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6194 -31.6194 -31.6032 -31.6032 -31.3419 -31.3419 -31.3229 -31.3229 -31.3198 -31.3198 -31.3067 -31.3067 1.2069 1.2069 4.0253 4.0253 6.5702 6.5702 6.9704 6.9704 7.1124 7.1124 7.4848 7.4848 7.8546 7.8546 8.1870 8.1870 8.4049 8.4049 8.4370 8.4370 8.5911 8.5911 8.7110 8.7110 8.7581 8.7581 8.8343 8.8343 9.0734 9.0734 9.5573 9.5573 9.7358 9.7358 9.9253 9.9253 10.3566 10.3566 11.3887 11.3887 11.6756 11.6756 12.4655 12.4655 14.4779 14.4779 15.3303 15.3303 k = 0.5523-0.1677-0.1229 ( 4146 PWs) bands (ev): -64.6706 -64.6706 -64.6651 -64.6651 -31.6193 -31.6193 -31.6033 -31.6033 -31.3419 -31.3419 -31.3230 -31.3230 -31.3198 -31.3198 -31.3067 -31.3067 1.2213 1.2213 4.0403 4.0403 6.5027 6.5027 6.9808 6.9808 7.0757 7.0757 7.4984 7.4984 7.8473 7.8473 8.1833 8.1833 8.4109 8.4109 8.4365 8.4365 8.5999 8.5999 8.7118 8.7118 8.7652 8.7652 8.8385 8.8385 9.0725 9.0725 9.5547 9.5547 9.7363 9.7363 9.8624 9.8624 10.3880 10.3880 11.3766 11.3766 11.7371 11.7371 12.4842 12.4842 14.5298 14.5298 15.3356 15.3356 k = 0.5597-0.1576-0.1155 ( 4152 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6192 -31.6192 -31.6034 -31.6034 -31.3418 -31.3418 -31.3231 -31.3231 -31.3197 -31.3197 -31.3068 -31.3068 1.2377 1.2377 4.0575 4.0575 6.4305 6.4305 6.9890 6.9890 7.0373 7.0373 7.5095 7.5095 7.8411 7.8411 8.1791 8.1791 8.4130 8.4130 8.4397 8.4397 8.6092 8.6092 8.7131 8.7131 8.7728 8.7728 8.8433 8.8433 9.0713 9.0713 9.5519 9.5519 9.7367 9.7367 9.8007 9.8007 10.4226 10.4226 11.3356 11.3356 11.8289 11.8289 12.5065 12.5065 14.5704 14.5704 15.3246 15.3246 k = 0.5672-0.1474-0.1080 ( 4151 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6191 -31.6191 -31.6036 -31.6036 -31.3418 -31.3418 -31.3232 -31.3232 -31.3196 -31.3196 -31.3068 -31.3068 1.2563 1.2563 4.0770 4.0770 6.3540 6.3540 6.9804 6.9804 7.0129 7.0129 7.5168 7.5168 7.8370 7.8370 8.1745 8.1745 8.4114 8.4114 8.4461 8.4461 8.6187 8.6187 8.7148 8.7148 8.7807 8.7807 8.8484 8.8484 9.0699 9.0699 9.5487 9.5487 9.7345 9.7345 9.7443 9.7443 10.4597 10.4597 11.2805 11.2805 11.9361 11.9361 12.5327 12.5327 14.5942 14.5942 15.2737 15.2737 k = 0.5747-0.1372-0.1006 ( 4150 PWs) bands (ev): -64.6705 -64.6705 -64.6652 -64.6652 -31.6190 -31.6190 -31.6037 -31.6037 -31.3417 -31.3417 -31.3233 -31.3233 -31.3195 -31.3195 -31.3068 -31.3068 1.2768 1.2768 4.0986 4.0986 6.2736 6.2736 6.9408 6.9408 7.0173 7.0173 7.5196 7.5196 7.8358 7.8358 8.1696 8.1696 8.4081 8.4081 8.4536 8.4536 8.6283 8.6283 8.7172 8.7172 8.7888 8.7888 8.8541 8.8541 9.0680 9.0680 9.5448 9.5448 9.6847 9.6847 9.7390 9.7390 10.4985 10.4985 11.2184 11.2184 12.0515 12.0515 12.5630 12.5630 14.5987 14.5987 15.2234 15.2234 k = 0.5821-0.1270-0.0931 ( 4147 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6189 -31.6189 -31.6038 -31.6038 -31.3416 -31.3416 -31.3234 -31.3234 -31.3194 -31.3194 -31.3069 -31.3069 1.2994 1.2994 4.1224 4.1224 6.1896 6.1896 6.8950 6.8950 7.0266 7.0266 7.5173 7.5173 7.8380 7.8380 8.1642 8.1642 8.4042 8.4042 8.4609 8.4609 8.6377 8.6377 8.7200 8.7200 8.7972 8.7972 8.8601 8.8601 9.0658 9.0658 9.5391 9.5391 9.6343 9.6343 9.7397 9.7397 10.5384 10.5384 11.1527 11.1527 12.1717 12.1717 12.5978 12.5978 14.5853 14.5853 15.1745 15.1745 k = 0.5896-0.1169-0.0856 ( 4145 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6188 -31.6188 -31.6040 -31.6040 -31.3416 -31.3416 -31.3236 -31.3236 -31.3193 -31.3193 -31.3069 -31.3069 1.3238 1.3238 4.1484 4.1484 6.1024 6.1024 6.8475 6.8475 7.0368 7.0368 7.5100 7.5100 7.8436 7.8436 8.1585 8.1585 8.4001 8.4001 8.4675 8.4675 8.6467 8.6467 8.7234 8.7234 8.8056 8.8056 8.8665 8.8665 9.0633 9.0633 9.5284 9.5284 9.5926 9.5926 9.7407 9.7407 10.5787 10.5787 11.0852 11.0852 12.2947 12.2947 12.6373 12.6373 14.5575 14.5575 15.1277 15.1277 k = 0.5971-0.1067-0.0782 ( 4143 PWs) bands (ev): -64.6704 -64.6704 -64.6653 -64.6653 -31.6186 -31.6186 -31.6041 -31.6041 -31.3415 -31.3415 -31.3237 -31.3237 -31.3192 -31.3192 -31.3069 -31.3069 1.3501 1.3501 4.1764 4.1764 6.0125 6.0125 6.7991 6.7991 7.0474 7.0474 7.4981 7.4981 7.8523 7.8523 8.1524 8.1524 8.3959 8.3959 8.4732 8.4732 8.6553 8.6553 8.7273 8.7273 8.8140 8.8140 8.8733 8.8733 9.0603 9.0603 9.5054 9.5054 9.5671 9.5671 9.7417 9.7417 10.6186 10.6186 11.0171 11.0171 12.4192 12.4192 12.6818 12.6818 14.5190 14.5190 15.0834 15.0834 k = 0.6046-0.0965-0.0707 ( 4152 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6185 -31.6185 -31.6043 -31.6043 -31.3414 -31.3414 -31.3239 -31.3239 -31.3191 -31.3191 -31.3070 -31.3070 1.3781 1.3781 4.2065 4.2065 5.9202 5.9202 6.7505 6.7505 7.0583 7.0583 7.4824 7.4824 7.8636 7.8636 8.1459 8.1459 8.3919 8.3919 8.4778 8.4778 8.6633 8.6633 8.7317 8.7317 8.8224 8.8224 8.8804 8.8804 9.0570 9.0570 9.4721 9.4721 9.5561 9.5561 9.7429 9.7429 10.6576 10.6576 10.9491 10.9491 12.5437 12.5437 12.7313 12.7313 14.4728 14.4728 15.0419 15.0419 k = 0.6120-0.0864-0.0633 ( 4157 PWs) bands (ev): -64.6703 -64.6703 -64.6654 -64.6654 -31.6183 -31.6183 -31.6045 -31.6045 -31.3413 -31.3413 -31.3240 -31.3240 -31.3190 -31.3190 -31.3071 -31.3071 1.4077 1.4077 4.2385 4.2385 5.8260 5.8260 6.7019 6.7019 7.0694 7.0694 7.4637 7.4637 7.8768 7.8768 8.1390 8.1390 8.3882 8.3882 8.4812 8.4812 8.6705 8.6705 8.7366 8.7366 8.8305 8.8305 8.8878 8.8878 9.0534 9.0534 9.4373 9.4373 9.5509 9.5509 9.7442 9.7442 10.6949 10.6949 10.8820 10.8820 12.6667 12.6667 12.7862 12.7862 14.4215 14.4215 15.0037 15.0037 k = 0.6195-0.0762-0.0558 ( 4151 PWs) bands (ev): -64.6702 -64.6702 -64.6655 -64.6655 -31.6181 -31.6181 -31.6047 -31.6047 -31.3412 -31.3412 -31.3242 -31.3242 -31.3188 -31.3188 -31.3071 -31.3071 1.4388 1.4388 4.2723 4.2723 5.7302 5.7302 6.6537 6.6537 7.0805 7.0805 7.4429 7.4429 7.8915 7.8915 8.1318 8.1318 8.3847 8.3847 8.4835 8.4835 8.6769 8.6769 8.7418 8.7418 8.8385 8.8385 8.8953 8.8953 9.0496 9.0496 9.4048 9.4048 9.5477 9.5477 9.7456 9.7456 10.7298 10.7298 10.8166 10.8166 12.7857 12.7857 12.8473 12.8473 14.3674 14.3674 14.9692 14.9692 k = 0.6270-0.0660-0.0484 ( 4145 PWs) bands (ev): -64.6702 -64.6702 -64.6655 -64.6655 -31.6179 -31.6179 -31.6049 -31.6049 -31.3411 -31.3411 -31.3243 -31.3243 -31.3187 -31.3187 -31.3071 -31.3071 1.4713 1.4713 4.3079 4.3079 5.6335 5.6335 6.6063 6.6063 7.0915 7.0915 7.4206 7.4206 7.9072 7.9072 8.1243 8.1243 8.3815 8.3815 8.4845 8.4845 8.6823 8.6823 8.7472 8.7472 8.8461 8.8461 8.9030 8.9030 9.0458 9.0458 9.3758 9.3758 9.5454 9.5454 9.7471 9.7471 10.7438 10.7438 10.7714 10.7714 12.8909 12.8909 12.9220 12.9220 14.3127 14.3127 14.9388 14.9388 k = 0.6344-0.0559-0.0409 ( 4145 PWs) bands (ev): -64.6701 -64.6701 -64.6656 -64.6656 -31.6178 -31.6178 -31.6051 -31.6051 -31.3410 -31.3410 -31.3245 -31.3245 -31.3185 -31.3185 -31.3072 -31.3072 1.5051 1.5051 4.3451 4.3451 5.5364 5.5364 6.5597 6.5597 7.1021 7.1021 7.3976 7.3976 7.9235 7.9235 8.1166 8.1166 8.3786 8.3786 8.4844 8.4844 8.6867 8.6867 8.7527 8.7527 8.8534 8.8534 8.9107 8.9107 9.0421 9.0421 9.3506 9.3506 9.5437 9.5437 9.7487 9.7487 10.6860 10.6860 10.7972 10.7972 12.9687 12.9687 13.0207 13.0207 14.2601 14.2601 14.9131 14.9131 k = 0.6419-0.0457-0.0335 ( 4146 PWs) bands (ev): -64.6701 -64.6701 -64.6656 -64.6656 -31.6176 -31.6176 -31.6054 -31.6054 -31.3409 -31.3409 -31.3247 -31.3247 -31.3184 -31.3184 -31.3072 -31.3072 1.5399 1.5399 4.3837 4.3837 5.4394 5.4394 6.5143 6.5143 7.1120 7.1120 7.3746 7.3746 7.9402 7.9402 8.1086 8.1086 8.3761 8.3761 8.4831 8.4831 8.6901 8.6901 8.7582 8.7582 8.8602 8.8602 8.9182 8.9182 9.0388 9.0388 9.3293 9.3293 9.5423 9.5423 9.7503 9.7503 10.6255 10.6255 10.8250 10.8250 13.0413 13.0413 13.1164 13.1164 14.2131 14.2131 14.8927 14.8927 k = 0.6494-0.0355-0.0260 ( 4147 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6174 -31.6174 -31.6056 -31.6056 -31.3408 -31.3408 -31.3248 -31.3248 -31.3182 -31.3182 -31.3073 -31.3073 1.5755 1.5755 4.4234 4.4234 5.3432 5.3432 6.4702 6.4702 7.1207 7.1207 7.3523 7.3523 7.9572 7.9572 8.1005 8.1005 8.3740 8.3740 8.4809 8.4809 8.6922 8.6922 8.7633 8.7633 8.8667 8.8667 8.9255 8.9255 9.0362 9.0362 9.3119 9.3119 9.5411 9.5411 9.7521 9.7521 10.5668 10.5668 10.8505 10.8505 13.1149 13.1149 13.1967 13.1967 14.1765 14.1765 14.8782 14.8782 k = 0.6568-0.0254-0.0186 ( 4147 PWs) bands (ev): -64.6700 -64.6700 -64.6657 -64.6657 -31.6172 -31.6172 -31.6058 -31.6058 -31.3407 -31.3407 -31.3250 -31.3250 -31.3181 -31.3181 -31.3073 -31.3073 1.6117 1.6117 4.4637 4.4637 5.2489 5.2489 6.4275 6.4275 7.1274 7.1274 7.3316 7.3316 7.9742 7.9742 8.0924 8.0924 8.3724 8.3724 8.4777 8.4777 8.6932 8.6932 8.7678 8.7678 8.8726 8.8726 8.9324 8.9324 9.0346 9.0346 9.2983 9.2983 9.5400 9.5400 9.7539 9.7539 10.5102 10.5102 10.8735 10.8735 13.1893 13.1893 13.2542 13.2542 14.1559 14.1559 14.8707 14.8707 k = 0.6643-0.0152-0.0111 ( 4149 PWs) bands (ev): -64.6699 -64.6699 -64.6658 -64.6658 -31.6170 -31.6170 -31.6061 -31.6061 -31.3406 -31.3406 -31.3252 -31.3252 -31.3179 -31.3179 -31.3074 -31.3074 1.6482 1.6482 4.5038 4.5038 5.1576 5.1576 6.3865 6.3865 7.1310 7.1310 7.3138 7.3138 7.9913 7.9913 8.0844 8.0844 8.3711 8.3711 8.4737 8.4737 8.6931 8.6931 8.7715 8.7715 8.8780 8.8780 8.9391 8.9391 9.0343 9.0343 9.2884 9.2884 9.5392 9.5392 9.7558 9.7558 10.4560 10.4560 10.8939 10.8939 13.2624 13.2624 13.2838 13.2838 14.1559 14.1559 14.8709 14.8709 k = 0.6718-0.0050-0.0037 ( 4145 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6167 -31.6167 -31.6063 -31.6063 -31.3405 -31.3405 -31.3254 -31.3254 -31.3178 -31.3178 -31.3075 -31.3075 1.6848 1.6848 4.5422 4.5422 5.0713 5.0713 6.3472 6.3472 7.1304 7.1304 7.3002 7.3002 8.0080 8.0080 8.0768 8.0768 8.3702 8.3702 8.4689 8.4689 8.6919 8.6919 8.7738 8.7738 8.8828 8.8828 8.9455 8.9455 9.0356 9.0356 9.2818 9.2818 9.5384 9.5384 9.7579 9.7579 10.4042 10.4042 10.9119 10.9119 13.2788 13.2788 13.3370 13.3370 14.1771 14.1771 14.8802 14.8802 k = 0.6792 0.0052 0.0038 ( 4148 PWs) bands (ev): -64.6698 -64.6698 -64.6659 -64.6659 -31.6165 -31.6165 -31.6065 -31.6065 -31.3404 -31.3404 -31.3256 -31.3256 -31.3176 -31.3176 -31.3075 -31.3075 1.7210 1.7210 4.5757 4.5757 4.9936 4.9936 6.3098 6.3098 7.1244 7.1244 7.2918 7.2918 8.0236 8.0236 8.0705 8.0705 8.3697 8.3697 8.4636 8.4636 8.6898 8.6898 8.7744 8.7744 8.8870 8.8870 8.9519 8.9519 9.0386 9.0386 9.2784 9.2784 9.5378 9.5378 9.7600 9.7600 10.3550 10.3550 10.9277 10.9277 13.2481 13.2481 13.4057 13.4057 14.2148 14.2148 14.8996 14.8996 k = 0.6867 0.0153 0.0112 ( 4150 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6163 -31.6163 -31.6068 -31.6068 -31.3402 -31.3402 -31.3258 -31.3258 -31.3174 -31.3174 -31.3076 -31.3076 1.7565 1.7565 4.5980 4.5980 4.9315 4.9315 6.2744 6.2744 7.1131 7.1131 7.2887 7.2887 8.0353 8.0353 8.0684 8.0684 8.3695 8.3695 8.4578 8.4578 8.6869 8.6869 8.7729 8.7729 8.8906 8.8906 8.9587 8.9587 9.0434 9.0434 9.2778 9.2778 9.5373 9.5373 9.7622 9.7622 10.3085 10.3085 10.9415 10.9415 13.1950 13.1950 13.4697 13.4697 14.2610 14.2610 14.9302 14.9302 k = 0.6942 0.0255 0.0187 ( 4147 PWs) bands (ev): -64.6697 -64.6697 -64.6660 -64.6660 -31.6161 -31.6161 -31.6070 -31.6070 -31.3401 -31.3401 -31.3260 -31.3260 -31.3173 -31.3173 -31.3077 -31.3077 1.7908 1.7908 4.5983 4.5983 4.8962 4.8962 6.2410 6.2410 7.0972 7.0972 7.2900 7.2900 8.0380 8.0380 8.0757 8.0757 8.3696 8.3696 8.4517 8.4517 8.6834 8.6834 8.7693 8.7693 8.8936 8.8936 8.9662 8.9662 9.0497 9.0497 9.2798 9.2798 9.5369 9.5369 9.7645 9.7645 10.2646 10.2646 10.9534 10.9534 13.1256 13.1256 13.5273 13.5273 14.3082 14.3082 14.9731 14.9731 k = 0.7016 0.0357 0.0261 ( 4143 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6159 -31.6159 -31.6072 -31.6072 -31.3400 -31.3400 -31.3262 -31.3262 -31.3171 -31.3171 -31.3077 -31.3077 1.8233 1.8233 4.5702 4.5702 4.8947 4.8947 6.2098 6.2098 7.0781 7.0781 7.2945 7.2945 8.0338 8.0338 8.0905 8.0905 8.3697 8.3697 8.4455 8.4455 8.6795 8.6795 8.7633 8.7633 8.8959 8.8959 8.9747 8.9747 9.0574 9.0574 9.2839 9.2839 9.5366 9.5366 9.7669 9.7669 10.2236 10.2236 10.9636 10.9636 13.0449 13.0449 13.5773 13.5773 14.3503 14.3503 15.0287 15.0287 k = 0.7091 0.0458 0.0336 ( 4142 PWs) bands (ev): -64.6696 -64.6696 -64.6661 -64.6661 -31.6157 -31.6157 -31.6074 -31.6074 -31.3399 -31.3399 -31.3264 -31.3264 -31.3169 -31.3169 -31.3078 -31.3078 1.8536 1.8536 4.5219 4.5219 4.9197 4.9197 6.1808 6.1808 7.0569 7.0569 7.3008 7.3008 8.0275 8.0275 8.1079 8.1079 8.3697 8.3697 8.4393 8.4393 8.6753 8.6753 8.7552 8.7552 8.8975 8.8975 8.9844 8.9844 9.0663 9.0663 9.2899 9.2899 9.5364 9.5364 9.7694 9.7694 10.1853 10.1853 10.9723 10.9723 12.9562 12.9562 13.6192 13.6192 14.3840 14.3840 15.0969 15.0969 k = 0.7166 0.0560 0.0410 ( 4140 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6155 -31.6155 -31.6076 -31.6076 -31.3398 -31.3398 -31.3266 -31.3266 -31.3167 -31.3167 -31.3079 -31.3079 1.8808 1.8808 4.4655 4.4655 4.9594 4.9594 6.1540 6.1540 7.0344 7.0344 7.3082 7.3082 8.0208 8.0208 8.1266 8.1266 8.3694 8.3694 8.4336 8.4336 8.6711 8.6711 8.7452 8.7452 8.8985 8.8985 8.9952 8.9952 9.0761 9.0761 9.2976 9.2976 9.5364 9.5364 9.7721 9.7721 10.1500 10.1500 10.9798 10.9798 12.8619 12.8619 13.6527 13.6527 14.4081 14.4081 15.1773 15.1773 k = 0.7240 0.0662 0.0485 ( 4138 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6154 -31.6154 -31.6078 -31.6078 -31.3397 -31.3397 -31.3268 -31.3268 -31.3165 -31.3165 -31.3080 -31.3080 1.9043 1.9043 4.4086 4.4086 5.0070 5.0070 6.1296 6.1296 7.0114 7.0114 7.3159 7.3159 8.0141 8.0141 8.1461 8.1461 8.3684 8.3684 8.4285 8.4285 8.6666 8.6666 8.7339 8.7339 8.8988 8.8988 9.0072 9.0072 9.0868 9.0868 9.3067 9.3067 9.5365 9.5365 9.7748 9.7748 10.1176 10.1176 10.9862 10.9862 12.7636 12.7636 13.6783 13.6783 14.4229 14.4229 15.2688 15.2688 k = 0.7315 0.0763 0.0559 ( 4136 PWs) bands (ev): -64.6695 -64.6695 -64.6662 -64.6662 -31.6152 -31.6152 -31.6079 -31.6079 -31.3396 -31.3396 -31.3270 -31.3270 -31.3163 -31.3163 -31.3080 -31.3080 1.9235 1.9235 4.3553 4.3553 5.0592 5.0592 6.1076 6.1076 6.9881 6.9881 7.3236 7.3236 8.0078 8.0078 8.1662 8.1662 8.3663 8.3663 8.4244 8.4244 8.6618 8.6618 8.7218 8.7218 8.8987 8.8987 9.0202 9.0202 9.0982 9.0982 9.3170 9.3170 9.5368 9.5368 9.7777 9.7777 10.0882 10.0882 10.9915 10.9915 12.6625 12.6625 13.6967 13.6967 14.4298 14.4298 15.3698 15.3698 Writing output data file Mg2SiNi3.save init_run : 0.38s CPU 0.50s WALL ( 1 calls) electrons : 195.50s CPU 198.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 195.50s CPU 198.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 294 calls) cegterg : 179.28s CPU 181.31s WALL ( 327 calls) Called by sum_band: Called by *egterg: h_psi : 102.83s CPU 104.56s WALL ( 5737 calls) s_psi : 6.04s CPU 6.12s WALL ( 5737 calls) g_psi : 0.19s CPU 0.24s WALL ( 5116 calls) cdiaghg : 65.18s CPU 65.98s WALL ( 5410 calls) cegterg:over : 7.20s CPU 7.14s WALL ( 5116 calls) cegterg:upda : 6.19s CPU 6.08s WALL ( 5116 calls) cegterg:last : 2.98s CPU 2.97s WALL ( 924 calls) cdiaghg:chol : 3.76s CPU 3.76s WALL ( 5410 calls) cdiaghg:inve : 2.72s CPU 2.75s WALL ( 5410 calls) cdiaghg:para : 4.65s CPU 4.74s WALL ( 10820 calls) Called by h_psi: h_psi:vloc : 89.04s CPU 90.67s WALL ( 5737 calls) h_psi:vnl : 13.55s CPU 13.65s WALL ( 5737 calls) add_vuspsi : 7.14s CPU 7.25s WALL ( 5737 calls) General routines calbec : 6.40s CPU 6.38s WALL ( 5737 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.37s CPU 85.00s WALL ( 834168 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 588 calls) Parallel routines fft_scatter : 26.44s CPU 27.30s WALL ( 834191 calls) PWSCF : 3m33.52s CPU 3m49.65s WALL This run was terminated on: 20:53:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=