Program PWSCF v.5.1.1 starts on 10Jun2016 at 1:54:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdxAgI2x2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 214 72 20 9751 1904 280 Max 215 73 21 9753 1933 282 Sum 10301 3483 969 468097 91913 13481 bravais-lattice index = 14 lattice parameter (alat) = 14.6693 a.u. unit-cell volume = 1716.4788 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.669259 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.667126 celldm(5)= -0.667126 celldm(6)= 0.334252 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.334252 0.942484 0.000000 ) a(3) = ( -0.667126 -0.471242 0.576952 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.354650 0.866623 ) b(2) = ( 0.000000 1.061026 0.866623 ) b(3) = ( 0.000000 0.000000 1.733245 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 245 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0000000 0.0000000 0.0240729), wk = 0.0040816 k( 3) = ( 0.0000000 0.0000000 0.0481457), wk = 0.0040816 k( 4) = ( 0.0000000 0.0000000 0.0722186), wk = 0.0040816 k( 5) = ( 0.0000000 0.0000000 0.0962914), wk = 0.0040816 k( 6) = ( 0.0000000 0.0000000 0.1203642), wk = 0.0040816 k( 7) = ( 0.0000000 0.0000000 0.1444371), wk = 0.0040816 k( 8) = ( 0.0000000 0.0000000 0.1685099), wk = 0.0040816 k( 9) = ( 0.0000000 0.0000000 0.1925828), wk = 0.0040816 k( 10) = ( 0.0000000 0.0000000 0.2166556), wk = 0.0040816 k( 11) = ( 0.0000000 0.0000000 0.2407285), wk = 0.0040816 k( 12) = ( 0.0000000 0.0000000 0.2648013), wk = 0.0040816 k( 13) = ( 0.0000000 0.0000000 0.2888742), wk = 0.0040816 k( 14) = ( 0.0000000 0.0000000 0.3129470), wk = 0.0040816 k( 15) = ( 0.0000000 0.0000000 0.3370199), wk = 0.0040816 k( 16) = ( 0.0000000 0.0000000 0.3610927), wk = 0.0040816 k( 17) = ( 0.0000000 0.0000000 0.3851656), wk = 0.0040816 k( 18) = ( 0.0000000 0.0000000 0.4092384), wk = 0.0040816 k( 19) = ( 0.0000000 0.0000000 0.4333113), wk = 0.0040816 k( 20) = ( 0.0000000 0.0000000 0.4573841), wk = 0.0040816 k( 21) = ( 0.0000000 0.0000000 0.4814570), wk = 0.0040816 k( 22) = ( 0.0000000 0.0000000 0.5055298), wk = 0.0040816 k( 23) = ( 0.0000000 0.0000000 0.5296027), wk = 0.0040816 k( 24) = ( 0.0000000 0.0000000 0.5536755), wk = 0.0040816 k( 25) = ( 0.0000000 0.0000000 0.5777484), wk = 0.0040816 k( 26) = ( 0.0000000 0.0000000 0.6018212), wk = 0.0040816 k( 27) = ( 0.0000000 0.0000000 0.6258941), wk = 0.0040816 k( 28) = ( 0.0000000 0.0000000 0.6499669), wk = 0.0040816 k( 29) = ( 0.0000000 0.0000000 0.6740398), wk = 0.0040816 k( 30) = ( 0.0000000 0.0000000 0.6981126), wk = 0.0040816 k( 31) = ( 0.0000000 0.0000000 0.7221855), wk = 0.0040816 k( 32) = ( 0.0000000 0.0000000 0.7462583), wk = 0.0040816 k( 33) = ( 0.0000000 0.0000000 0.7703312), wk = 0.0040816 k( 34) = ( 0.0000000 0.0000000 0.7944040), wk = 0.0040816 k( 35) = ( 0.0000000 0.0000000 0.8184769), wk = 0.0040816 k( 36) = ( 0.0000000 0.0000000 0.8425497), wk = 0.0040816 k( 37) = ( 0.0000000 0.0000000 0.8666226), wk = 0.0040816 k( 38) = ( 0.0000000 0.0000000 0.8666226), wk = 0.0040816 k( 39) = ( -0.0138602 0.0196216 0.8666226), wk = 0.0040816 k( 40) = ( -0.0277204 0.0392431 0.8666226), wk = 0.0040816 k( 41) = ( -0.0415806 0.0588647 0.8666226), wk = 0.0040816 k( 42) = ( -0.0554408 0.0784863 0.8666226), wk = 0.0040816 k( 43) = ( -0.0693010 0.0981078 0.8666226), wk = 0.0040816 k( 44) = ( -0.0831612 0.1177294 0.8666226), wk = 0.0040816 k( 45) = ( -0.0970214 0.1373509 0.8666226), wk = 0.0040816 k( 46) = ( -0.1108817 0.1569725 0.8666226), wk = 0.0040816 k( 47) = ( -0.1247419 0.1765941 0.8666226), wk = 0.0040816 k( 48) = ( -0.1247419 0.1765941 0.8666226), wk = 0.0040816 k( 49) = ( -0.1346171 0.1905742 0.8495064), wk = 0.0040816 k( 50) = ( -0.1444923 0.2045543 0.8323902), wk = 0.0040816 k( 51) = ( -0.1543675 0.2185344 0.8152741), wk = 0.0040816 k( 52) = ( -0.1642427 0.2325145 0.7981579), wk = 0.0040816 k( 53) = ( -0.1741179 0.2464946 0.7810417), wk = 0.0040816 k( 54) = ( -0.1839931 0.2604747 0.7639256), wk = 0.0040816 k( 55) = ( -0.1938684 0.2744548 0.7468094), wk = 0.0040816 k( 56) = ( -0.2037436 0.2884349 0.7296932), wk = 0.0040816 k( 57) = ( -0.2136188 0.3024150 0.7125771), wk = 0.0040816 k( 58) = ( -0.2234940 0.3163951 0.6954609), wk = 0.0040816 k( 59) = ( -0.2333692 0.3303752 0.6783447), wk = 0.0040816 k( 60) = ( -0.2432444 0.3443553 0.6612286), wk = 0.0040816 k( 61) = ( -0.2531196 0.3583354 0.6441124), wk = 0.0040816 k( 62) = ( -0.2629949 0.3723155 0.6269962), wk = 0.0040816 k( 63) = ( -0.2728701 0.3862956 0.6098801), wk = 0.0040816 k( 64) = ( -0.2827453 0.4002757 0.5927639), wk = 0.0040816 k( 65) = ( -0.2926205 0.4142558 0.5756477), wk = 0.0040816 k( 66) = ( -0.3024957 0.4282359 0.5585316), wk = 0.0040816 k( 67) = ( -0.3123709 0.4422160 0.5414154), wk = 0.0040816 k( 68) = ( -0.3123709 0.4422160 0.5414154), wk = 0.0040816 k( 69) = ( -0.3022944 0.4279510 0.5239504), wk = 0.0040816 k( 70) = ( -0.2922180 0.4136860 0.5064854), wk = 0.0040816 k( 71) = ( -0.2821415 0.3994209 0.4890204), wk = 0.0040816 k( 72) = ( -0.2720650 0.3851559 0.4715554), wk = 0.0040816 k( 73) = ( -0.2619885 0.3708909 0.4540903), wk = 0.0040816 k( 74) = ( -0.2519120 0.3566258 0.4366253), wk = 0.0040816 k( 75) = ( -0.2418356 0.3423608 0.4191603), wk = 0.0040816 k( 76) = ( -0.2317591 0.3280958 0.4016953), wk = 0.0040816 k( 77) = ( -0.2216826 0.3138307 0.3842303), wk = 0.0040816 k( 78) = ( -0.2116061 0.2995657 0.3667653), wk = 0.0040816 k( 79) = ( -0.2015296 0.2853007 0.3493002), wk = 0.0040816 k( 80) = ( -0.1914531 0.2710356 0.3318352), wk = 0.0040816 k( 81) = ( -0.1813767 0.2567706 0.3143702), wk = 0.0040816 k( 82) = ( -0.1713002 0.2425056 0.2969052), wk = 0.0040816 k( 83) = ( -0.1612237 0.2282405 0.2794402), wk = 0.0040816 k( 84) = ( -0.1511472 0.2139755 0.2619752), wk = 0.0040816 k( 85) = ( -0.1410707 0.1997105 0.2445102), wk = 0.0040816 k( 86) = ( -0.1309943 0.1854454 0.2270452), wk = 0.0040816 k( 87) = ( -0.1209178 0.1711804 0.2095802), wk = 0.0040816 k( 88) = ( -0.1108413 0.1569154 0.1921151), wk = 0.0040816 k( 89) = ( -0.1007648 0.1426503 0.1746501), wk = 0.0040816 k( 90) = ( -0.0906883 0.1283853 0.1571851), wk = 0.0040816 k( 91) = ( -0.0806118 0.1141203 0.1397201), wk = 0.0040816 k( 92) = ( -0.0705354 0.0998552 0.1222551), wk = 0.0040816 k( 93) = ( -0.0604589 0.0855902 0.1047901), wk = 0.0040816 k( 94) = ( -0.0503824 0.0713252 0.0873251), wk = 0.0040816 k( 95) = ( -0.0403059 0.0570601 0.0698601), wk = 0.0040816 k( 96) = ( -0.0302295 0.0427951 0.0523950), wk = 0.0040816 k( 97) = ( -0.0201530 0.0285301 0.0349300), wk = 0.0040816 k( 98) = ( -0.0100765 0.0142650 0.0174650), wk = 0.0040816 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 101) = ( 0.0200000 0.0141275 -0.0000000), wk = 0.0040816 k( 102) = ( 0.0400000 0.0282551 -0.0000000), wk = 0.0040816 k( 103) = ( 0.0600000 0.0423826 -0.0000000), wk = 0.0040816 k( 104) = ( 0.0800000 0.0565101 -0.0000000), wk = 0.0040816 k( 105) = ( 0.1000000 0.0706376 -0.0000000), wk = 0.0040816 k( 106) = ( 0.1200000 0.0847652 -0.0000000), wk = 0.0040816 k( 107) = ( 0.1400000 0.0988927 -0.0000000), wk = 0.0040816 k( 108) = ( 0.1600000 0.1130202 -0.0000000), wk = 0.0040816 k( 109) = ( 0.1800000 0.1271477 -0.0000000), wk = 0.0040816 k( 110) = ( 0.2000000 0.1412753 -0.0000000), wk = 0.0040816 k( 111) = ( 0.2200000 0.1554028 -0.0000000), wk = 0.0040816 k( 112) = ( 0.2400000 0.1695303 -0.0000000), wk = 0.0040816 k( 113) = ( 0.2600000 0.1836578 -0.0000000), wk = 0.0040816 k( 114) = ( 0.2800000 0.1977854 -0.0000000), wk = 0.0040816 k( 115) = ( 0.3000000 0.2119129 -0.0000000), wk = 0.0040816 k( 116) = ( 0.3200000 0.2260404 -0.0000000), wk = 0.0040816 k( 117) = ( 0.3400000 0.2401679 -0.0000000), wk = 0.0040816 k( 118) = ( 0.3600000 0.2542955 -0.0000000), wk = 0.0040816 k( 119) = ( 0.3800000 0.2684230 -0.0000000), wk = 0.0040816 k( 120) = ( 0.4000000 0.2825505 -0.0000000), wk = 0.0040816 k( 121) = ( 0.4200000 0.2966780 -0.0000000), wk = 0.0040816 k( 122) = ( 0.4400000 0.3108056 -0.0000000), wk = 0.0040816 k( 123) = ( 0.4600000 0.3249331 -0.0000000), wk = 0.0040816 k( 124) = ( 0.4800000 0.3390606 -0.0000000), wk = 0.0040816 k( 125) = ( 0.5000000 0.3531881 -0.0000000), wk = 0.0040816 k( 126) = ( 0.5000000 0.3531881 -0.0000000), wk = 0.0040816 k( 127) = ( 0.4901248 0.3671682 0.0171162), wk = 0.0040816 k( 128) = ( 0.4802496 0.3811484 0.0342323), wk = 0.0040816 k( 129) = ( 0.4703744 0.3951285 0.0513485), wk = 0.0040816 k( 130) = ( 0.4604991 0.4091086 0.0684647), wk = 0.0040816 k( 131) = ( 0.4506239 0.4230887 0.0855808), wk = 0.0040816 k( 132) = ( 0.4407487 0.4370688 0.1026970), wk = 0.0040816 k( 133) = ( 0.4308735 0.4510489 0.1198132), wk = 0.0040816 k( 134) = ( 0.4209983 0.4650290 0.1369293), wk = 0.0040816 k( 135) = ( 0.4111231 0.4790091 0.1540455), wk = 0.0040816 k( 136) = ( 0.4012479 0.4929892 0.1711617), wk = 0.0040816 k( 137) = ( 0.3913726 0.5069693 0.1882778), wk = 0.0040816 k( 138) = ( 0.3814974 0.5209494 0.2053940), wk = 0.0040816 k( 139) = ( 0.3716222 0.5349295 0.2225102), wk = 0.0040816 k( 140) = ( 0.3617470 0.5489096 0.2396263), wk = 0.0040816 k( 141) = ( 0.3518718 0.5628897 0.2567425), wk = 0.0040816 k( 142) = ( 0.3419966 0.5768698 0.2738587), wk = 0.0040816 k( 143) = ( 0.3321214 0.5908499 0.2909748), wk = 0.0040816 k( 144) = ( 0.3222462 0.6048300 0.3080910), wk = 0.0040816 k( 145) = ( 0.3123709 0.6188101 0.3252072), wk = 0.0040816 k( 146) = ( 0.3123709 0.6188101 0.3252072), wk = 0.0040816 k( 147) = ( 0.2900587 0.6125032 0.3329289), wk = 0.0040816 k( 148) = ( 0.2677465 0.6061963 0.3406506), wk = 0.0040816 k( 149) = ( 0.2454343 0.5998893 0.3483723), wk = 0.0040816 k( 150) = ( 0.2231221 0.5935824 0.3560941), wk = 0.0040816 k( 151) = ( 0.2008099 0.5872755 0.3638158), wk = 0.0040816 k( 152) = ( 0.1784977 0.5809685 0.3715375), wk = 0.0040816 k( 153) = ( 0.1561855 0.5746616 0.3792592), wk = 0.0040816 k( 154) = ( 0.1338733 0.5683547 0.3869809), wk = 0.0040816 k( 155) = ( 0.1115610 0.5620477 0.3947027), wk = 0.0040816 k( 156) = ( 0.0892488 0.5557408 0.4024244), wk = 0.0040816 k( 157) = ( 0.0669366 0.5494339 0.4101461), wk = 0.0040816 k( 158) = ( 0.0446244 0.5431269 0.4178678), wk = 0.0040816 k( 159) = ( 0.0223122 0.5368200 0.4255896), wk = 0.0040816 k( 160) = ( 0.0000000 0.5305131 0.4333113), wk = 0.0040816 k( 161) = ( 0.0000000 0.5305131 0.4333113), wk = 0.0040816 k( 162) = ( 0.0100000 0.5163563 0.4506437), wk = 0.0040816 k( 163) = ( 0.0200000 0.5021996 0.4679762), wk = 0.0040816 k( 164) = ( 0.0300000 0.4880428 0.4853086), wk = 0.0040816 k( 165) = ( 0.0400000 0.4738860 0.5026411), wk = 0.0040816 k( 166) = ( 0.0500000 0.4597293 0.5199735), wk = 0.0040816 k( 167) = ( 0.0600000 0.4455725 0.5373060), wk = 0.0040816 k( 168) = ( 0.0700000 0.4314158 0.5546384), wk = 0.0040816 k( 169) = ( 0.0800000 0.4172590 0.5719709), wk = 0.0040816 k( 170) = ( 0.0900000 0.4031022 0.5893033), wk = 0.0040816 k( 171) = ( 0.1000000 0.3889455 0.6066358), wk = 0.0040816 k( 172) = ( 0.1100000 0.3747887 0.6239682), wk = 0.0040816 k( 173) = ( 0.1200000 0.3606320 0.6413007), wk = 0.0040816 k( 174) = ( 0.1300000 0.3464752 0.6586331), wk = 0.0040816 k( 175) = ( 0.1400000 0.3323184 0.6759656), wk = 0.0040816 k( 176) = ( 0.1500000 0.3181617 0.6932981), wk = 0.0040816 k( 177) = ( 0.1600000 0.3040049 0.7106305), wk = 0.0040816 k( 178) = ( 0.1700000 0.2898482 0.7279630), wk = 0.0040816 k( 179) = ( 0.1800000 0.2756914 0.7452954), wk = 0.0040816 k( 180) = ( 0.1900000 0.2615346 0.7626279), wk = 0.0040816 k( 181) = ( 0.2000000 0.2473779 0.7799603), wk = 0.0040816 k( 182) = ( 0.2100000 0.2332211 0.7972928), wk = 0.0040816 k( 183) = ( 0.2200000 0.2190644 0.8146252), wk = 0.0040816 k( 184) = ( 0.2300000 0.2049076 0.8319577), wk = 0.0040816 k( 185) = ( 0.2400000 0.1907508 0.8492901), wk = 0.0040816 k( 186) = ( 0.2500000 0.1765941 0.8666226), wk = 0.0040816 k( 187) = ( 0.2500000 0.1765941 0.8666226), wk = 0.0040816 k( 188) = ( 0.2656250 0.1876312 0.8531095), wk = 0.0040816 k( 189) = ( 0.2812500 0.1986683 0.8395965), wk = 0.0040816 k( 190) = ( 0.2968750 0.2097055 0.8260835), wk = 0.0040816 k( 191) = ( 0.3125000 0.2207426 0.8125705), wk = 0.0040816 k( 192) = ( 0.3281250 0.2317797 0.7990575), wk = 0.0040816 k( 193) = ( 0.3437500 0.2428169 0.7855445), wk = 0.0040816 k( 194) = ( 0.3593750 0.2538540 0.7720315), wk = 0.0040816 k( 195) = ( 0.3750000 0.2648911 0.7585185), wk = 0.0040816 k( 196) = ( 0.3906250 0.2759282 0.7450054), wk = 0.0040816 k( 197) = ( 0.4062500 0.2869654 0.7314924), wk = 0.0040816 k( 198) = ( 0.4218750 0.2980025 0.7179794), wk = 0.0040816 k( 199) = ( 0.4375000 0.3090396 0.7044664), wk = 0.0040816 k( 200) = ( 0.4531250 0.3200768 0.6909534), wk = 0.0040816 k( 201) = ( 0.4687500 0.3311139 0.6774404), wk = 0.0040816 k( 202) = ( 0.4843750 0.3421510 0.6639273), wk = 0.0040816 k( 203) = ( 0.5000000 0.3531881 0.6504143), wk = 0.0040816 k( 204) = ( 0.5000000 0.3531881 0.6504143), wk = 0.0040816 k( 205) = ( 0.5000000 0.3531881 0.6263249), wk = 0.0040816 k( 206) = ( 0.5000000 0.3531881 0.6022355), wk = 0.0040816 k( 207) = ( 0.5000000 0.3531881 0.5781461), wk = 0.0040816 k( 208) = ( 0.5000000 0.3531881 0.5540567), wk = 0.0040816 k( 209) = ( 0.5000000 0.3531881 0.5299672), wk = 0.0040816 k( 210) = ( 0.5000000 0.3531881 0.5058778), wk = 0.0040816 k( 211) = ( 0.5000000 0.3531881 0.4817884), wk = 0.0040816 k( 212) = ( 0.5000000 0.3531881 0.4576990), wk = 0.0040816 k( 213) = ( 0.5000000 0.3531881 0.4336096), wk = 0.0040816 k( 214) = ( 0.5000000 0.3531881 0.4095201), wk = 0.0040816 k( 215) = ( 0.5000000 0.3531881 0.3854307), wk = 0.0040816 k( 216) = ( 0.5000000 0.3531881 0.3613413), wk = 0.0040816 k( 217) = ( 0.5000000 0.3531881 0.3372519), wk = 0.0040816 k( 218) = ( 0.5000000 0.3531881 0.3131625), wk = 0.0040816 k( 219) = ( 0.5000000 0.3531881 0.2890730), wk = 0.0040816 k( 220) = ( 0.5000000 0.3531881 0.2649836), wk = 0.0040816 k( 221) = ( 0.5000000 0.3531881 0.2408942), wk = 0.0040816 k( 222) = ( 0.5000000 0.3531881 0.2168048), wk = 0.0040816 k( 223) = ( 0.5000000 0.3531881 0.1927153), wk = 0.0040816 k( 224) = ( 0.5000000 0.3531881 0.1686259), wk = 0.0040816 k( 225) = ( 0.5000000 0.3531881 0.1445365), wk = 0.0040816 k( 226) = ( 0.5000000 0.3531881 0.1204471), wk = 0.0040816 k( 227) = ( 0.5000000 0.3531881 0.0963577), wk = 0.0040816 k( 228) = ( 0.5000000 0.3531881 0.0722683), wk = 0.0040816 k( 229) = ( 0.5000000 0.3531881 0.0481788), wk = 0.0040816 k( 230) = ( 0.5000000 0.3531881 0.0240894), wk = 0.0040816 k( 231) = ( 0.5000000 0.3531881 -0.0000000), wk = 0.0040816 k( 232) = ( 0.0000000 0.0000000 0.8666226), wk = 0.0040816 k( 233) = ( 0.0192308 0.0135842 0.8666226), wk = 0.0040816 k( 234) = ( 0.0384615 0.0271683 0.8666226), wk = 0.0040816 k( 235) = ( 0.0576923 0.0407525 0.8666226), wk = 0.0040816 k( 236) = ( 0.0769231 0.0543366 0.8666226), wk = 0.0040816 k( 237) = ( 0.0961538 0.0679208 0.8666226), wk = 0.0040816 k( 238) = ( 0.1153846 0.0815050 0.8666226), wk = 0.0040816 k( 239) = ( 0.1346154 0.0950891 0.8666226), wk = 0.0040816 k( 240) = ( 0.1538461 0.1086733 0.8666226), wk = 0.0040816 k( 241) = ( 0.1730769 0.1222574 0.8666226), wk = 0.0040816 k( 242) = ( 0.1923077 0.1358416 0.8666226), wk = 0.0040816 k( 243) = ( 0.2115385 0.1494258 0.8666226), wk = 0.0040816 k( 244) = ( 0.2307692 0.1630099 0.8666226), wk = 0.0040816 k( 245) = ( 0.2500000 0.1765941 0.8666226), wk = 0.0040816 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0040816 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0040816 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040816 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0040816 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0040816 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040816 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0040816 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0040816 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040816 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0040816 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0040816 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040816 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0040816 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0040816 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040816 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0040816 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0040816 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040816 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0040816 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0040816 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040816 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0040816 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0040816 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040816 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0040816 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0040816 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040816 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0040816 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0040816 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040816 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0040816 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0040816 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040816 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0040816 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0040816 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 39) = ( -0.0138602 0.0138602 0.5000000), wk = 0.0040816 k( 40) = ( -0.0277204 0.0277204 0.5000000), wk = 0.0040816 k( 41) = ( -0.0415806 0.0415806 0.5000000), wk = 0.0040816 k( 42) = ( -0.0554408 0.0554408 0.5000000), wk = 0.0040816 k( 43) = ( -0.0693010 0.0693010 0.5000000), wk = 0.0040816 k( 44) = ( -0.0831612 0.0831612 0.5000000), wk = 0.0040816 k( 45) = ( -0.0970214 0.0970214 0.5000000), wk = 0.0040816 k( 46) = ( -0.1108817 0.1108817 0.5000000), wk = 0.0040816 k( 47) = ( -0.1247419 0.1247419 0.5000000), wk = 0.0040816 k( 48) = ( -0.1247419 0.1247419 0.5000000), wk = 0.0040816 k( 49) = ( -0.1346171 0.1346171 0.4901248), wk = 0.0040816 k( 50) = ( -0.1444923 0.1444923 0.4802496), wk = 0.0040816 k( 51) = ( -0.1543675 0.1543675 0.4703744), wk = 0.0040816 k( 52) = ( -0.1642427 0.1642427 0.4604991), wk = 0.0040816 k( 53) = ( -0.1741179 0.1741179 0.4506239), wk = 0.0040816 k( 54) = ( -0.1839931 0.1839931 0.4407487), wk = 0.0040816 k( 55) = ( -0.1938684 0.1938684 0.4308735), wk = 0.0040816 k( 56) = ( -0.2037436 0.2037436 0.4209983), wk = 0.0040816 k( 57) = ( -0.2136188 0.2136188 0.4111231), wk = 0.0040816 k( 58) = ( -0.2234940 0.2234940 0.4012479), wk = 0.0040816 k( 59) = ( -0.2333692 0.2333692 0.3913726), wk = 0.0040816 k( 60) = ( -0.2432444 0.2432444 0.3814974), wk = 0.0040816 k( 61) = ( -0.2531196 0.2531196 0.3716222), wk = 0.0040816 k( 62) = ( -0.2629949 0.2629949 0.3617470), wk = 0.0040816 k( 63) = ( -0.2728701 0.2728701 0.3518718), wk = 0.0040816 k( 64) = ( -0.2827453 0.2827453 0.3419966), wk = 0.0040816 k( 65) = ( -0.2926205 0.2926205 0.3321214), wk = 0.0040816 k( 66) = ( -0.3024957 0.3024957 0.3222461), wk = 0.0040816 k( 67) = ( -0.3123709 0.3123709 0.3123709), wk = 0.0040816 k( 68) = ( -0.3123709 0.3123709 0.3123709), wk = 0.0040816 k( 69) = ( -0.3022944 0.3022944 0.3022945), wk = 0.0040816 k( 70) = ( -0.2922180 0.2922180 0.2922180), wk = 0.0040816 k( 71) = ( -0.2821415 0.2821415 0.2821415), wk = 0.0040816 k( 72) = ( -0.2720650 0.2720650 0.2720650), wk = 0.0040816 k( 73) = ( -0.2619885 0.2619885 0.2619885), wk = 0.0040816 k( 74) = ( -0.2519120 0.2519120 0.2519120), wk = 0.0040816 k( 75) = ( -0.2418356 0.2418356 0.2418356), wk = 0.0040816 k( 76) = ( -0.2317591 0.2317591 0.2317591), wk = 0.0040816 k( 77) = ( -0.2216826 0.2216826 0.2216826), wk = 0.0040816 k( 78) = ( -0.2116061 0.2116061 0.2116061), wk = 0.0040816 k( 79) = ( -0.2015296 0.2015296 0.2015296), wk = 0.0040816 k( 80) = ( -0.1914531 0.1914531 0.1914532), wk = 0.0040816 k( 81) = ( -0.1813767 0.1813767 0.1813767), wk = 0.0040816 k( 82) = ( -0.1713002 0.1713002 0.1713002), wk = 0.0040816 k( 83) = ( -0.1612237 0.1612237 0.1612237), wk = 0.0040816 k( 84) = ( -0.1511472 0.1511472 0.1511472), wk = 0.0040816 k( 85) = ( -0.1410707 0.1410707 0.1410707), wk = 0.0040816 k( 86) = ( -0.1309943 0.1309943 0.1309943), wk = 0.0040816 k( 87) = ( -0.1209178 0.1209178 0.1209178), wk = 0.0040816 k( 88) = ( -0.1108413 0.1108413 0.1108413), wk = 0.0040816 k( 89) = ( -0.1007648 0.1007648 0.1007648), wk = 0.0040816 k( 90) = ( -0.0906883 0.0906883 0.0906883), wk = 0.0040816 k( 91) = ( -0.0806118 0.0806118 0.0806118), wk = 0.0040816 k( 92) = ( -0.0705354 0.0705354 0.0705354), wk = 0.0040816 k( 93) = ( -0.0604589 0.0604589 0.0604589), wk = 0.0040816 k( 94) = ( -0.0503824 0.0503824 0.0503824), wk = 0.0040816 k( 95) = ( -0.0403059 0.0403059 0.0403059), wk = 0.0040816 k( 96) = ( -0.0302295 0.0302294 0.0302294), wk = 0.0040816 k( 97) = ( -0.0201530 0.0201530 0.0201530), wk = 0.0040816 k( 98) = ( -0.0100765 0.0100765 0.0100765), wk = 0.0040816 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 101) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0040816 k( 102) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0040816 k( 103) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0040816 k( 104) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0040816 k( 105) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0040816 k( 106) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0040816 k( 107) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0040816 k( 108) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0040816 k( 109) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0040816 k( 110) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0040816 k( 111) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0040816 k( 112) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0040816 k( 113) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0040816 k( 114) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0040816 k( 115) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0040816 k( 116) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0040816 k( 117) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0040816 k( 118) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0040816 k( 119) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0040816 k( 120) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0040816 k( 121) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0040816 k( 122) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0040816 k( 123) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0040816 k( 124) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0040816 k( 125) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040816 k( 126) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040816 k( 127) = ( 0.4901248 0.5098752 -0.4901248), wk = 0.0040816 k( 128) = ( 0.4802496 0.5197504 -0.4802496), wk = 0.0040816 k( 129) = ( 0.4703744 0.5296256 -0.4703744), wk = 0.0040816 k( 130) = ( 0.4604991 0.5395009 -0.4604991), wk = 0.0040816 k( 131) = ( 0.4506239 0.5493761 -0.4506239), wk = 0.0040816 k( 132) = ( 0.4407487 0.5592513 -0.4407487), wk = 0.0040816 k( 133) = ( 0.4308735 0.5691265 -0.4308735), wk = 0.0040816 k( 134) = ( 0.4209983 0.5790017 -0.4209983), wk = 0.0040816 k( 135) = ( 0.4111231 0.5888769 -0.4111231), wk = 0.0040816 k( 136) = ( 0.4012479 0.5987521 -0.4012479), wk = 0.0040816 k( 137) = ( 0.3913726 0.6086274 -0.3913726), wk = 0.0040816 k( 138) = ( 0.3814974 0.6185026 -0.3814974), wk = 0.0040816 k( 139) = ( 0.3716222 0.6283778 -0.3716222), wk = 0.0040816 k( 140) = ( 0.3617470 0.6382530 -0.3617470), wk = 0.0040816 k( 141) = ( 0.3518718 0.6481282 -0.3518718), wk = 0.0040816 k( 142) = ( 0.3419966 0.6580034 -0.3419966), wk = 0.0040816 k( 143) = ( 0.3321214 0.6678786 -0.3321214), wk = 0.0040816 k( 144) = ( 0.3222462 0.6777538 -0.3222462), wk = 0.0040816 k( 145) = ( 0.3123709 0.6876291 -0.3123709), wk = 0.0040816 k( 146) = ( 0.3123709 0.6876291 -0.3123709), wk = 0.0040816 k( 147) = ( 0.2900587 0.6742270 -0.2900587), wk = 0.0040816 k( 148) = ( 0.2677465 0.6608249 -0.2677465), wk = 0.0040816 k( 149) = ( 0.2454343 0.6474228 -0.2454343), wk = 0.0040816 k( 150) = ( 0.2231221 0.6340208 -0.2231221), wk = 0.0040816 k( 151) = ( 0.2008099 0.6206187 -0.2008099), wk = 0.0040816 k( 152) = ( 0.1784977 0.6072166 -0.1784977), wk = 0.0040816 k( 153) = ( 0.1561855 0.5938145 -0.1561855), wk = 0.0040816 k( 154) = ( 0.1338733 0.5804125 -0.1338733), wk = 0.0040816 k( 155) = ( 0.1115610 0.5670104 -0.1115610), wk = 0.0040816 k( 156) = ( 0.0892488 0.5536083 -0.0892488), wk = 0.0040816 k( 157) = ( 0.0669366 0.5402062 -0.0669366), wk = 0.0040816 k( 158) = ( 0.0446244 0.5268041 -0.0446244), wk = 0.0040816 k( 159) = ( 0.0223122 0.5134021 -0.0223122), wk = 0.0040816 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040816 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040816 k( 162) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0040816 k( 163) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0040816 k( 164) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0040816 k( 165) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0040816 k( 166) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0040816 k( 167) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0040816 k( 168) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0040816 k( 169) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0040816 k( 170) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0040816 k( 171) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0040816 k( 172) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0040816 k( 173) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0040816 k( 174) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0040816 k( 175) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0040816 k( 176) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0040816 k( 177) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0040816 k( 178) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0040816 k( 179) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0040816 k( 180) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0040816 k( 181) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0040816 k( 182) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0040816 k( 183) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0040816 k( 184) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0040816 k( 185) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0040816 k( 186) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040816 k( 187) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040816 k( 188) = ( 0.2656250 0.2656250 0.2265786), wk = 0.0040816 k( 189) = ( 0.2812500 0.2812500 0.2031573), wk = 0.0040816 k( 190) = ( 0.2968750 0.2968750 0.1797359), wk = 0.0040816 k( 191) = ( 0.3125000 0.3125000 0.1563145), wk = 0.0040816 k( 192) = ( 0.3281250 0.3281250 0.1328932), wk = 0.0040816 k( 193) = ( 0.3437500 0.3437500 0.1094718), wk = 0.0040816 k( 194) = ( 0.3593750 0.3593750 0.0860504), wk = 0.0040816 k( 195) = ( 0.3750000 0.3750000 0.0626291), wk = 0.0040816 k( 196) = ( 0.3906250 0.3906250 0.0392077), wk = 0.0040816 k( 197) = ( 0.4062500 0.4062500 0.0157863), wk = 0.0040816 k( 198) = ( 0.4218750 0.4218750 -0.0076350), wk = 0.0040816 k( 199) = ( 0.4375000 0.4375000 -0.0310564), wk = 0.0040816 k( 200) = ( 0.4531250 0.4531250 -0.0544778), wk = 0.0040816 k( 201) = ( 0.4687500 0.4687500 -0.0778991), wk = 0.0040816 k( 202) = ( 0.4843750 0.4843750 -0.1013205), wk = 0.0040816 k( 203) = ( 0.5000000 0.5000000 -0.1247419), wk = 0.0040816 k( 204) = ( 0.5000000 0.5000000 -0.1247419), wk = 0.0040816 k( 205) = ( 0.5000000 0.5000000 -0.1386403), wk = 0.0040816 k( 206) = ( 0.5000000 0.5000000 -0.1525388), wk = 0.0040816 k( 207) = ( 0.5000000 0.5000000 -0.1664372), wk = 0.0040816 k( 208) = ( 0.5000000 0.5000000 -0.1803357), wk = 0.0040816 k( 209) = ( 0.5000000 0.5000000 -0.1942341), wk = 0.0040816 k( 210) = ( 0.5000000 0.5000000 -0.2081326), wk = 0.0040816 k( 211) = ( 0.5000000 0.5000000 -0.2220310), wk = 0.0040816 k( 212) = ( 0.5000000 0.5000000 -0.2359295), wk = 0.0040816 k( 213) = ( 0.5000000 0.5000000 -0.2498279), wk = 0.0040816 k( 214) = ( 0.5000000 0.5000000 -0.2637264), wk = 0.0040816 k( 215) = ( 0.5000000 0.5000000 -0.2776248), wk = 0.0040816 k( 216) = ( 0.5000000 0.5000000 -0.2915233), wk = 0.0040816 k( 217) = ( 0.5000000 0.5000000 -0.3054217), wk = 0.0040816 k( 218) = ( 0.5000000 0.5000000 -0.3193202), wk = 0.0040816 k( 219) = ( 0.5000000 0.5000000 -0.3332186), wk = 0.0040816 k( 220) = ( 0.5000000 0.5000000 -0.3471171), wk = 0.0040816 k( 221) = ( 0.5000000 0.5000000 -0.3610155), wk = 0.0040816 k( 222) = ( 0.5000000 0.5000000 -0.3749140), wk = 0.0040816 k( 223) = ( 0.5000000 0.5000000 -0.3888124), wk = 0.0040816 k( 224) = ( 0.5000000 0.5000000 -0.4027109), wk = 0.0040816 k( 225) = ( 0.5000000 0.5000000 -0.4166093), wk = 0.0040816 k( 226) = ( 0.5000000 0.5000000 -0.4305077), wk = 0.0040816 k( 227) = ( 0.5000000 0.5000000 -0.4444062), wk = 0.0040816 k( 228) = ( 0.5000000 0.5000000 -0.4583046), wk = 0.0040816 k( 229) = ( 0.5000000 0.5000000 -0.4722031), wk = 0.0040816 k( 230) = ( 0.5000000 0.5000000 -0.4861015), wk = 0.0040816 k( 231) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040816 k( 232) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 233) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0040816 k( 234) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0040816 k( 235) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0040816 k( 236) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0040816 k( 237) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0040816 k( 238) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0040816 k( 239) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0040816 k( 240) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0040816 k( 241) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0040816 k( 242) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0040816 k( 243) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0040816 k( 244) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0040816 k( 245) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040816 Dense grid: 468097 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 91913 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.56 Mb ( 496, 74) NL pseudopotentials 0.63 Mb ( 248, 166) Each V/rho on FFT grid 0.66 Mb ( 43200) Each G-vector array 0.07 Mb ( 9753) G-vector shells 0.03 Mb ( 4500) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.24 Mb ( 496, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) The potential is recalculated from file : ./CdxAgI2x2.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.2 secs Computing kpt #: 2 total cpu time spent up to now is 52.2 secs Computing kpt #: 3 total cpu time spent up to now is 58.3 secs Computing kpt #: 4 total cpu time spent up to now is 64.4 secs Computing kpt #: 5 total cpu time spent up to now is 70.4 secs Computing kpt #: 6 total cpu time spent up to now is 76.6 secs Computing kpt #: 7 total cpu time spent up to now is 82.8 secs Computing kpt #: 8 total cpu time spent up to now is 89.1 secs Computing kpt #: 9 total cpu time spent up to now is 95.4 secs Computing kpt #: 10 total cpu time spent up to now is 101.9 secs Computing kpt #: 11 total cpu time spent up to now is 108.3 secs Computing kpt #: 12 total cpu time spent up to now is 114.6 secs Computing kpt #: 13 total cpu time spent up to now is 121.4 secs Computing kpt #: 14 total cpu time spent up to now is 127.9 secs Computing kpt #: 15 total cpu time spent up to now is 134.6 secs Computing kpt #: 16 total cpu time spent up to now is 141.1 secs Computing kpt #: 17 total cpu time spent up to now is 147.8 secs Computing kpt #: 18 total cpu time spent up to now is 154.6 secs Computing kpt #: 19 total cpu time spent up to now is 161.3 secs Computing kpt #: 20 total cpu time spent up to now is 168.1 secs Computing kpt #: 21 total cpu time spent up to now is 174.9 secs Computing kpt #: 22 total cpu time spent up to now is 182.0 secs Computing kpt #: 23 total cpu time spent up to now is 189.0 secs Computing kpt #: 24 total cpu time spent up to now is 196.8 secs Computing kpt #: 25 total cpu time spent up to now is 204.6 secs Computing kpt #: 26 total cpu time spent up to now is 213.9 secs Computing kpt #: 27 total cpu time spent up to now is 224.8 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 29 total cpu time spent up to now is 248.7 secs Computing kpt #: 30 total cpu time spent up to now is 258.4 secs Computing kpt #: 31 total cpu time spent up to now is 270.3 secs Computing kpt #: 32 total cpu time spent up to now is 279.0 secs Computing kpt #: 33 total cpu time spent up to now is 287.5 secs Computing kpt #: 34 total cpu time spent up to now is 296.9 secs Computing kpt #: 35 total cpu time spent up to now is 305.4 secs Computing kpt #: 36 total cpu time spent up to now is 314.7 secs Computing kpt #: 37 total cpu time spent up to now is 324.0 secs Computing kpt #: 38 total cpu time spent up to now is 333.2 secs Computing kpt #: 39 total cpu time spent up to now is 342.6 secs Computing kpt #: 40 total cpu time spent up to now is 351.1 secs Computing kpt #: 41 total cpu time spent up to now is 359.0 secs Computing kpt #: 42 total cpu time spent up to now is 367.4 secs Computing kpt #: 43 total cpu time spent up to now is 375.3 secs Computing kpt #: 44 total cpu time spent up to now is 383.2 secs Computing kpt #: 45 total cpu time spent up to now is 390.0 secs Computing kpt #: 46 total cpu time spent up to now is 396.8 secs Computing kpt #: 47 total cpu time spent up to now is 403.3 secs Computing kpt #: 48 total cpu time spent up to now is 410.0 secs Computing kpt #: 49 total cpu time spent up to now is 416.8 secs Computing kpt #: 50 total cpu time spent up to now is 423.5 secs Computing kpt #: 51 total cpu time spent up to now is 430.2 secs Computing kpt #: 52 total cpu time spent up to now is 436.9 secs Computing kpt #: 53 total cpu time spent up to now is 443.6 secs Computing kpt #: 54 total cpu time spent up to now is 450.2 secs Computing kpt #: 55 total cpu time spent up to now is 456.8 secs Computing kpt #: 56 total cpu time spent up to now is 463.4 secs Computing kpt #: 57 total cpu time spent up to now is 470.1 secs Computing kpt #: 58 total cpu time spent up to now is 476.8 secs Computing kpt #: 59 total cpu time spent up to now is 483.6 secs Computing kpt #: 60 total cpu time spent up to now is 490.4 secs Computing kpt #: 61 total cpu time spent up to now is 497.2 secs Computing kpt #: 62 total cpu time spent up to now is 503.8 secs Computing kpt #: 63 total cpu time spent up to now is 510.3 secs Computing kpt #: 64 total cpu time spent up to now is 516.9 secs Computing kpt #: 65 total cpu time spent up to now is 523.5 secs Computing kpt #: 66 total cpu time spent up to now is 530.1 secs Computing kpt #: 67 total cpu time spent up to now is 536.7 secs Computing kpt #: 68 total cpu time spent up to now is 543.3 secs Computing kpt #: 69 total cpu time spent up to now is 549.9 secs Computing kpt #: 70 total cpu time spent up to now is 556.4 secs Computing kpt #: 71 total cpu time spent up to now is 564.0 secs Computing kpt #: 72 total cpu time spent up to now is 573.7 secs Computing kpt #: 73 total cpu time spent up to now is 581.6 secs Computing kpt #: 74 total cpu time spent up to now is 590.8 secs Computing kpt #: 75 total cpu time spent up to now is 598.6 secs Computing kpt #: 76 total cpu time spent up to now is 606.3 secs Computing kpt #: 77 total cpu time spent up to now is 614.0 secs Computing kpt #: 78 total cpu time spent up to now is 621.7 secs Computing kpt #: 79 total cpu time spent up to now is 629.4 secs Computing kpt #: 80 total cpu time spent up to now is 637.1 secs Computing kpt #: 81 total cpu time spent up to now is 644.8 secs Computing kpt #: 82 total cpu time spent up to now is 651.9 secs Computing kpt #: 83 total cpu time spent up to now is 659.6 secs Computing kpt #: 84 total cpu time spent up to now is 667.2 secs Computing kpt #: 85 total cpu time spent up to now is 674.1 secs Computing kpt #: 86 total cpu time spent up to now is 681.7 secs Computing kpt #: 87 total cpu time spent up to now is 690.7 secs Computing kpt #: 88 total cpu time spent up to now is 698.2 secs Computing kpt #: 89 total cpu time spent up to now is 705.1 secs Computing kpt #: 90 total cpu time spent up to now is 711.6 secs Computing kpt #: 91 total cpu time spent up to now is 718.2 secs Computing kpt #: 92 total cpu time spent up to now is 724.5 secs Computing kpt #: 93 total cpu time spent up to now is 730.7 secs Computing kpt #: 94 total cpu time spent up to now is 737.0 secs Computing kpt #: 95 total cpu time spent up to now is 743.1 secs Computing kpt #: 96 total cpu time spent up to now is 749.2 secs Computing kpt #: 97 total cpu time spent up to now is 755.3 secs Computing kpt #: 98 total cpu time spent up to now is 761.3 secs Computing kpt #: 99 total cpu time spent up to now is 767.3 secs Computing kpt #: 100 total cpu time spent up to now is 773.3 secs Computing kpt #: 101 total cpu time spent up to now is 779.2 secs Computing kpt #: 102 total cpu time spent up to now is 785.3 secs Computing kpt #: 103 total cpu time spent up to now is 791.2 secs Computing kpt #: 104 total cpu time spent up to now is 797.2 secs Computing kpt #: 105 total cpu time spent up to now is 803.2 secs Computing kpt #: 106 total cpu time spent up to now is 809.1 secs Computing kpt #: 107 total cpu time spent up to now is 815.0 secs Computing kpt #: 108 total cpu time spent up to now is 820.9 secs Computing kpt #: 109 total cpu time spent up to now is 827.0 secs Computing kpt #: 110 total cpu time spent up to now is 832.9 secs Computing kpt #: 111 total cpu time spent up to now is 838.8 secs Computing kpt #: 112 total cpu time spent up to now is 844.8 secs Computing kpt #: 113 total cpu time spent up to now is 850.8 secs Computing kpt #: 114 total cpu time spent up to now is 856.1 secs Computing kpt #: 115 total cpu time spent up to now is 861.6 secs Computing kpt #: 116 total cpu time spent up to now is 867.9 secs Computing kpt #: 117 total cpu time spent up to now is 874.0 secs Computing kpt #: 118 total cpu time spent up to now is 880.0 secs Computing kpt #: 119 total cpu time spent up to now is 885.9 secs Computing kpt #: 120 total cpu time spent up to now is 891.9 secs Computing kpt #: 121 total cpu time spent up to now is 898.0 secs Computing kpt #: 122 total cpu time spent up to now is 904.3 secs Computing kpt #: 123 total cpu time spent up to now is 910.5 secs Computing kpt #: 124 total cpu time spent up to now is 917.0 secs Computing kpt #: 125 total cpu time spent up to now is 923.3 secs Computing kpt #: 126 total cpu time spent up to now is 929.5 secs Computing kpt #: 127 total cpu time spent up to now is 935.7 secs Computing kpt #: 128 total cpu time spent up to now is 941.9 secs Computing kpt #: 129 total cpu time spent up to now is 948.1 secs Computing kpt #: 130 total cpu time spent up to now is 954.4 secs Computing kpt #: 131 total cpu time spent up to now is 960.6 secs Computing kpt #: 132 total cpu time spent up to now is 967.1 secs Computing kpt #: 133 total cpu time spent up to now is 973.7 secs Computing kpt #: 134 total cpu time spent up to now is 980.5 secs Computing kpt #: 135 total cpu time spent up to now is 987.1 secs Computing kpt #: 136 total cpu time spent up to now is 993.9 secs Computing kpt #: 137 total cpu time spent up to now is 1000.8 secs Computing kpt #: 138 total cpu time spent up to now is 1008.2 secs Computing kpt #: 139 total cpu time spent up to now is 1014.9 secs Computing kpt #: 140 total cpu time spent up to now is 1021.7 secs Computing kpt #: 141 total cpu time spent up to now is 1028.1 secs Computing kpt #: 142 total cpu time spent up to now is 1034.6 secs Computing kpt #: 143 total cpu time spent up to now is 1041.0 secs Computing kpt #: 144 total cpu time spent up to now is 1047.4 secs Computing kpt #: 145 total cpu time spent up to now is 1053.8 secs Computing kpt #: 146 total cpu time spent up to now is 1060.3 secs Computing kpt #: 147 total cpu time spent up to now is 1066.7 secs Computing kpt #: 148 total cpu time spent up to now is 1073.2 secs Computing kpt #: 149 total cpu time spent up to now is 1080.0 secs Computing kpt #: 150 total cpu time spent up to now is 1086.9 secs Computing kpt #: 151 total cpu time spent up to now is 1093.8 secs Computing kpt #: 152 total cpu time spent up to now is 1100.5 secs Computing kpt #: 153 total cpu time spent up to now is 1107.2 secs Computing kpt #: 154 total cpu time spent up to now is 1113.9 secs Computing kpt #: 155 total cpu time spent up to now is 1120.6 secs Computing kpt #: 156 total cpu time spent up to now is 1127.4 secs Computing kpt #: 157 total cpu time spent up to now is 1134.2 secs Computing kpt #: 158 total cpu time spent up to now is 1141.4 secs Computing kpt #: 159 total cpu time spent up to now is 1148.1 secs Computing kpt #: 160 total cpu time spent up to now is 1154.9 secs Computing kpt #: 161 total cpu time spent up to now is 1162.5 secs Computing kpt #: 162 total cpu time spent up to now is 1171.2 secs Computing kpt #: 163 total cpu time spent up to now is 1178.1 secs Computing kpt #: 164 total cpu time spent up to now is 1184.9 secs Computing kpt #: 165 total cpu time spent up to now is 1191.8 secs Computing kpt #: 166 total cpu time spent up to now is 1198.5 secs Computing kpt #: 167 total cpu time spent up to now is 1205.2 secs Computing kpt #: 168 total cpu time spent up to now is 1211.8 secs Computing kpt #: 169 total cpu time spent up to now is 1218.4 secs Computing kpt #: 170 total cpu time spent up to now is 1225.1 secs Computing kpt #: 171 total cpu time spent up to now is 1231.6 secs Computing kpt #: 172 total cpu time spent up to now is 1238.2 secs Computing kpt #: 173 total cpu time spent up to now is 1244.8 secs Computing kpt #: 174 total cpu time spent up to now is 1251.4 secs Computing kpt #: 175 total cpu time spent up to now is 1258.1 secs Computing kpt #: 176 total cpu time spent up to now is 1264.8 secs Computing kpt #: 177 total cpu time spent up to now is 1271.5 secs Computing kpt #: 178 total cpu time spent up to now is 1278.4 secs Computing kpt #: 179 total cpu time spent up to now is 1285.5 secs Computing kpt #: 180 total cpu time spent up to now is 1293.2 secs Computing kpt #: 181 total cpu time spent up to now is 1300.5 secs Computing kpt #: 182 total cpu time spent up to now is 1308.4 secs Computing kpt #: 183 total cpu time spent up to now is 1317.9 secs Computing kpt #: 184 total cpu time spent up to now is 1328.9 secs Computing kpt #: 185 total cpu time spent up to now is 1339.9 secs Computing kpt #: 186 total cpu time spent up to now is 1350.7 secs Computing kpt #: 187 total cpu time spent up to now is 1361.5 secs Computing kpt #: 188 total cpu time spent up to now is 1371.5 secs Computing kpt #: 189 total cpu time spent up to now is 1381.2 secs Computing kpt #: 190 total cpu time spent up to now is 1390.7 secs Computing kpt #: 191 total cpu time spent up to now is 1398.7 secs Computing kpt #: 192 total cpu time spent up to now is 1407.3 secs Computing kpt #: 193 total cpu time spent up to now is 1415.3 secs Computing kpt #: 194 total cpu time spent up to now is 1423.5 secs Computing kpt #: 195 total cpu time spent up to now is 1431.4 secs Computing kpt #: 196 total cpu time spent up to now is 1439.5 secs Computing kpt #: 197 total cpu time spent up to now is 1447.3 secs Computing kpt #: 198 total cpu time spent up to now is 1454.5 secs Computing kpt #: 199 total cpu time spent up to now is 1463.0 secs Computing kpt #: 200 total cpu time spent up to now is 1470.2 secs Computing kpt #: 201 total cpu time spent up to now is 1477.1 secs Computing kpt #: 202 total cpu time spent up to now is 1483.8 secs Computing kpt #: 203 total cpu time spent up to now is 1490.4 secs Computing kpt #: 204 total cpu time spent up to now is 1497.1 secs Computing kpt #: 205 total cpu time spent up to now is 1503.7 secs Computing kpt #: 206 total cpu time spent up to now is 1510.3 secs Computing kpt #: 207 total cpu time spent up to now is 1516.8 secs Computing kpt #: 208 total cpu time spent up to now is 1523.3 secs Computing kpt #: 209 total cpu time spent up to now is 1529.9 secs Computing kpt #: 210 total cpu time spent up to now is 1536.4 secs Computing kpt #: 211 total cpu time spent up to now is 1543.0 secs Computing kpt #: 212 total cpu time spent up to now is 1549.6 secs Computing kpt #: 213 total cpu time spent up to now is 1556.1 secs Computing kpt #: 214 total cpu time spent up to now is 1562.6 secs Computing kpt #: 215 total cpu time spent up to now is 1569.2 secs Computing kpt #: 216 total cpu time spent up to now is 1575.7 secs Computing kpt #: 217 total cpu time spent up to now is 1582.3 secs Computing kpt #: 218 total cpu time spent up to now is 1588.7 secs Computing kpt #: 219 total cpu time spent up to now is 1595.1 secs Computing kpt #: 220 total cpu time spent up to now is 1601.6 secs Computing kpt #: 221 total cpu time spent up to now is 1608.1 secs Computing kpt #: 222 total cpu time spent up to now is 1614.6 secs Computing kpt #: 223 total cpu time spent up to now is 1621.4 secs Computing kpt #: 224 total cpu time spent up to now is 1628.0 secs Computing kpt #: 225 total cpu time spent up to now is 1634.5 secs Computing kpt #: 226 total cpu time spent up to now is 1641.1 secs Computing kpt #: 227 total cpu time spent up to now is 1647.6 secs Computing kpt #: 228 total cpu time spent up to now is 1654.0 secs Computing kpt #: 229 total cpu time spent up to now is 1660.4 secs Computing kpt #: 230 total cpu time spent up to now is 1666.5 secs Computing kpt #: 231 total cpu time spent up to now is 1672.7 secs Computing kpt #: 232 total cpu time spent up to now is 1680.5 secs Computing kpt #: 233 total cpu time spent up to now is 1688.3 secs Computing kpt #: 234 total cpu time spent up to now is 1696.1 secs Computing kpt #: 235 total cpu time spent up to now is 1703.9 secs Computing kpt #: 236 total cpu time spent up to now is 1711.7 secs Computing kpt #: 237 total cpu time spent up to now is 1719.9 secs Computing kpt #: 238 total cpu time spent up to now is 1727.7 secs Computing kpt #: 239 total cpu time spent up to now is 1735.8 secs Computing kpt #: 240 total cpu time spent up to now is 1744.0 secs Computing kpt #: 241 total cpu time spent up to now is 1752.6 secs Computing kpt #: 242 total cpu time spent up to now is 1762.3 secs Computing kpt #: 243 total cpu time spent up to now is 1772.2 secs Computing kpt #: 244 total cpu time spent up to now is 1782.3 secs Computing kpt #: 245 total cpu time spent up to now is 1792.7 secs ethr = 1.61E-11, avg # of iterations = 37.6 total cpu time spent up to now is 1792.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11489 PWs) bands (ev): -8.4993 -8.4993 -8.0461 -8.0461 -8.0360 -8.0360 -8.0336 -8.0336 -4.4052 -4.4052 -4.3836 -4.3836 -3.7559 -3.7559 -3.7261 -3.7261 -3.7092 -3.7092 -0.4578 -0.4578 0.2176 0.2176 0.2389 0.2389 0.3149 0.3149 0.3490 0.3490 0.4105 0.4105 0.5760 0.5760 0.6418 0.6418 0.8794 0.8794 1.0409 1.0409 1.3452 1.3452 1.5929 1.5929 1.6348 1.6348 1.8835 1.8835 1.8965 1.8965 2.1492 2.1492 2.2744 2.2744 2.4352 2.4352 2.5977 2.5977 3.5085 3.5085 4.2004 4.2004 4.2634 4.2634 5.6424 5.6424 7.3840 7.3840 7.8169 7.8169 9.1116 9.1116 9.1288 9.1288 9.3304 9.3304 k = 0.0000 0.0000 0.0241 ( 11487 PWs) bands (ev): -8.4989 -8.4988 -8.0461 -8.0461 -8.0365 -8.0361 -8.0339 -8.0338 -4.4052 -4.4051 -4.3838 -4.3835 -3.7564 -3.7554 -3.7265 -3.7258 -3.7094 -3.7091 -0.4574 -0.4571 0.2157 0.2190 0.2345 0.2435 0.3118 0.3180 0.3463 0.3506 0.4100 0.4124 0.5738 0.5786 0.6387 0.6446 0.8771 0.8813 1.0323 1.0491 1.3438 1.3450 1.5893 1.5906 1.6277 1.6373 1.8698 1.8930 1.8953 1.9078 2.1372 2.1605 2.2740 2.2801 2.4260 2.4478 2.5879 2.6115 3.5000 3.5135 4.1934 4.2015 4.2589 4.2593 5.6480 5.6508 7.3809 7.3927 7.8194 7.8213 9.0901 9.1178 9.1283 9.1412 9.3074 9.3528 k = 0.0000 0.0000 0.0481 ( 11475 PWs) bands (ev): -8.4977 -8.4976 -8.0462 -8.0462 -8.0373 -8.0365 -8.0345 -8.0344 -4.4052 -4.4050 -4.3840 -4.3834 -3.7568 -3.7549 -3.7269 -3.7255 -3.7095 -3.7090 -0.4559 -0.4554 0.2132 0.2200 0.2302 0.2481 0.3088 0.3210 0.3425 0.3513 0.4110 0.4156 0.5721 0.5815 0.6357 0.6470 0.8743 0.8827 1.0237 1.0564 1.3408 1.3433 1.5753 1.5849 1.6207 1.6342 1.8640 1.8900 1.8929 1.9349 2.1259 2.1699 2.2790 2.2900 2.4215 2.4634 2.5833 2.6285 3.4881 3.5148 4.1781 4.1972 4.2463 4.2489 5.6674 5.6727 7.3833 7.4066 7.8288 7.8323 9.0659 9.1116 9.1279 9.1619 9.2844 9.3738 k = 0.0000 0.0000 0.0722 ( 11483 PWs) bands (ev): -8.4956 -8.4955 -8.0462 -8.0462 -8.0386 -8.0373 -8.0357 -8.0355 -4.4053 -4.4049 -4.3842 -4.3834 -3.7571 -3.7544 -3.7273 -3.7254 -3.7097 -3.7089 -0.4533 -0.4525 0.2102 0.2206 0.2261 0.2529 0.3059 0.3239 0.3376 0.3513 0.4133 0.4197 0.5710 0.5845 0.6329 0.6486 0.8709 0.8837 1.0155 1.0625 1.3362 1.3400 1.5502 1.5769 1.6161 1.6267 1.8633 1.8849 1.8916 1.9650 2.1165 2.1773 2.2875 2.3014 2.4239 2.4816 2.5851 2.6483 3.4728 3.5121 4.1519 4.1849 4.2282 4.2376 5.6994 5.7065 7.3910 7.4249 7.8459 7.8503 9.0406 9.1003 9.1263 9.1824 9.2625 9.3928 k = 0.0000 0.0000 0.0963 ( 11491 PWs) bands (ev): -8.4928 -8.4926 -8.0464 -8.0463 -8.0403 -8.0386 -8.0372 -8.0370 -4.4052 -4.4048 -4.3845 -4.3835 -3.7575 -3.7539 -3.7278 -3.7252 -3.7099 -3.7088 -0.4499 -0.4487 0.2065 0.2207 0.2223 0.2579 0.3030 0.3267 0.3318 0.3510 0.4166 0.4245 0.5704 0.5875 0.6309 0.6492 0.8671 0.8842 1.0079 1.0665 1.3303 1.3354 1.5189 1.5668 1.6121 1.6160 1.8599 1.8787 1.8972 1.9955 2.1097 2.1837 2.2972 2.3106 2.4366 2.5023 2.5947 2.6705 3.4541 3.5051 4.1149 4.1589 4.2124 4.2272 5.7422 5.7504 7.4029 7.4463 7.8712 7.8754 9.0142 9.0837 9.1235 9.2013 9.2428 9.4091 k = 0.0000 0.0000 0.1204 ( 11485 PWs) bands (ev): -8.4891 -8.4890 -8.0467 -8.0464 -8.0425 -8.0402 -8.0391 -8.0388 -4.4052 -4.4047 -4.3848 -4.3836 -3.7577 -3.7534 -3.7283 -3.7251 -3.7101 -3.7088 -0.4456 -0.4441 0.2020 0.2188 0.2203 0.2631 0.3003 0.3254 0.3291 0.3506 0.4205 0.4298 0.5705 0.5900 0.6300 0.6486 0.8629 0.8843 1.0014 1.0680 1.3231 1.3295 1.4858 1.5550 1.6031 1.6069 1.8501 1.8721 1.9120 2.0250 2.1059 2.1900 2.3062 2.3153 2.4615 2.5256 2.6127 2.6949 3.4320 3.4935 4.0698 4.1200 4.2002 4.2170 5.7940 5.8024 7.4183 7.4694 7.9056 7.9080 8.9867 9.0608 9.1199 9.2142 9.2301 9.4221 k = 0.0000 0.0000 0.1444 ( 11481 PWs) bands (ev): -8.4847 -8.4845 -8.0474 -8.0468 -8.0449 -8.0421 -8.0412 -8.0407 -4.4051 -4.4046 -4.3851 -4.3838 -3.7579 -3.7530 -3.7288 -3.7251 -3.7102 -3.7088 -0.4407 -0.4388 0.1969 0.2156 0.2194 0.2684 0.2977 0.3188 0.3310 0.3505 0.4246 0.4356 0.5712 0.5919 0.6308 0.6464 0.8584 0.8841 0.9962 1.0660 1.3149 1.3226 1.4536 1.5419 1.5882 1.5997 1.8361 1.8656 1.9333 2.0529 2.1052 2.1972 2.3138 2.3167 2.4973 2.5514 2.6384 2.7214 3.4063 3.4765 4.0197 4.0729 4.1888 4.2064 5.8526 5.8605 7.4360 7.4932 7.9483 7.9493 8.9577 9.0312 9.1154 9.2052 9.2405 9.4312 k = 0.0000 0.0000 0.1685 ( 11481 PWs) bands (ev): -8.4795 -8.4792 -8.0488 -8.0483 -8.0471 -8.0447 -8.0433 -8.0422 -4.4049 -4.4045 -4.3854 -4.3840 -3.7580 -3.7526 -3.7293 -3.7252 -3.7103 -3.7088 -0.4353 -0.4329 0.1912 0.2124 0.2179 0.2737 0.2951 0.3126 0.3320 0.3509 0.4285 0.4416 0.5724 0.5931 0.6334 0.6424 0.8537 0.8835 0.9925 1.0598 1.3058 1.3148 1.4244 1.5276 1.5717 1.5898 1.8194 1.8594 1.9591 2.0790 2.1071 2.2058 2.3175 2.3207 2.5411 2.5795 2.6706 2.7495 3.3772 3.4539 3.9674 4.0209 4.1766 4.1948 5.9163 5.9230 7.4552 7.5165 7.9962 8.0024 8.9266 8.9947 9.1104 9.1923 9.2556 9.4364 k = 0.0000 0.0000 0.1926 ( 11478 PWs) bands (ev): -8.4735 -8.4733 -8.0514 -8.0510 -8.0492 -8.0477 -8.0447 -8.0431 -4.4048 -4.4044 -4.3858 -4.3843 -3.7581 -3.7523 -3.7297 -3.7253 -3.7104 -3.7088 -0.4297 -0.4267 0.1850 0.2093 0.2158 0.2785 0.2916 0.3081 0.3318 0.3523 0.4317 0.4479 0.5742 0.5938 0.6364 0.6380 0.8489 0.8827 0.9906 1.0490 1.2959 1.3062 1.3998 1.5124 1.5540 1.5768 1.8011 1.8538 1.9885 2.1033 2.1115 2.2161 2.3203 2.3283 2.5905 2.6096 2.7080 2.7791 3.3447 3.4250 3.9148 3.9661 4.1633 4.1819 5.9835 5.9882 7.4749 7.5390 8.0514 8.0642 8.8929 8.9515 9.1049 9.1801 9.2704 9.4378 k = 0.0000 0.0000 0.2167 ( 11478 PWs) bands (ev): -8.4668 -8.4666 -8.0550 -8.0539 -8.0522 -8.0512 -8.0454 -8.0437 -4.4045 -4.4043 -4.3862 -4.3846 -3.7580 -3.7521 -3.7301 -3.7255 -3.7104 -3.7089 -0.4240 -0.4205 0.1785 0.2059 0.2131 0.2818 0.2862 0.3075 0.3304 0.3546 0.4339 0.4543 0.5765 0.5944 0.6284 0.6443 0.8441 0.8815 0.9906 1.0337 1.2854 1.2969 1.3804 1.4959 1.5357 1.5599 1.7822 1.8489 2.0206 2.1135 2.1303 2.2287 2.3271 2.3377 2.6411 2.6435 2.7492 2.8098 3.3090 3.3897 3.8637 3.9099 4.1485 4.1676 6.0528 6.0549 7.4948 7.5605 8.1130 8.1334 8.8559 8.9021 9.0992 9.1684 9.2848 9.4364 k = 0.0000 0.0000 0.2407 ( 11470 PWs) bands (ev): -8.4595 -8.4591 -8.0589 -8.0574 -8.0559 -8.0549 -8.0458 -8.0441 -4.4043 -4.4043 -4.3865 -4.3849 -3.7580 -3.7520 -3.7304 -3.7257 -3.7104 -3.7089 -0.4186 -0.4143 0.1716 0.2022 0.2097 0.2788 0.2834 0.3112 0.3282 0.3577 0.4347 0.4610 0.5790 0.5953 0.6185 0.6521 0.8394 0.8801 0.9926 1.0144 1.2745 1.2868 1.3665 1.4775 1.5178 1.5390 1.7639 1.8449 2.0550 2.1171 2.1562 2.2440 2.3389 2.3498 2.6736 2.6986 2.7929 2.8413 3.2707 3.3483 3.8150 3.8530 4.1324 4.1517 6.1217 6.1228 7.5146 7.5813 8.1798 8.2083 8.8148 8.8468 9.0936 9.1567 9.2992 9.4335 k = 0.0000 0.0000 0.2648 ( 11476 PWs) bands (ev): -8.4514 -8.4511 -8.0630 -8.0612 -8.0599 -8.0590 -8.0462 -8.0446 -4.4043 -4.4040 -4.3869 -4.3852 -3.7578 -3.7521 -3.7307 -3.7260 -3.7104 -3.7089 -0.4136 -0.4086 0.1645 0.1981 0.2057 0.2703 0.2837 0.3177 0.3253 0.3614 0.4344 0.4678 0.5814 0.5964 0.6072 0.6613 0.8351 0.8784 0.9922 0.9966 1.2631 1.2758 1.3574 1.4563 1.5017 1.5140 1.7467 1.8417 2.0907 2.1194 2.1845 2.2625 2.3561 2.3651 2.7067 2.7543 2.8382 2.8733 3.2306 3.3012 3.7691 3.7962 4.1150 4.1344 6.1877 6.1926 7.5344 7.6017 8.2500 8.2867 8.7692 8.7861 9.0884 9.1450 9.3144 9.4307 k = 0.0000 0.0000 0.2889 ( 11480 PWs) bands (ev): -8.4428 -8.4424 -8.0674 -8.0653 -8.0642 -8.0633 -8.0467 -8.0450 -4.4044 -4.4037 -4.3872 -4.3855 -3.7576 -3.7522 -3.7308 -3.7263 -3.7103 -3.7089 -0.4093 -0.4035 0.1570 0.1934 0.2010 0.2609 0.2835 0.3221 0.3255 0.3656 0.4332 0.4746 0.5812 0.5972 0.5976 0.6718 0.8312 0.8765 0.9689 1.0023 1.2515 1.2640 1.3522 1.4323 1.4855 1.4878 1.7312 1.8394 2.1210 2.1269 2.2155 2.2848 2.3781 2.3841 2.7401 2.8087 2.8842 2.9055 3.1903 3.2498 3.7257 3.7397 4.0964 4.1156 6.2516 6.2610 7.5541 7.6222 8.3216 8.3660 8.7191 8.7205 9.0843 9.1332 9.3309 9.4297 k = 0.0000 0.0000 0.3129 ( 11486 PWs) bands (ev): -8.4335 -8.4331 -8.0721 -8.0697 -8.0687 -8.0679 -8.0474 -8.0457 -4.4044 -4.4033 -4.3876 -4.3859 -3.7573 -3.7526 -3.7309 -3.7266 -3.7102 -3.7089 -0.4060 -0.3992 0.1492 0.1880 0.1956 0.2509 0.2832 0.3189 0.3334 0.3701 0.4320 0.4815 0.5723 0.5950 0.5984 0.6834 0.8277 0.8744 0.9458 1.0095 1.2396 1.2514 1.3500 1.4060 1.4543 1.4761 1.7172 1.8378 2.1227 2.1627 2.2494 2.3112 2.4043 2.4069 2.7736 2.8583 2.9300 2.9388 3.1526 3.1957 3.6837 3.6844 4.0767 4.0956 6.3126 6.3270 7.5742 7.6432 8.3923 8.4422 8.6506 8.6653 9.0823 9.1223 9.3494 9.4318 k = 0.0000 0.0000 0.3370 ( 11478 PWs) bands (ev): -8.4237 -8.4232 -8.0769 -8.0744 -8.0734 -8.0726 -8.0482 -8.0464 -4.4045 -4.4029 -4.3879 -4.3862 -3.7570 -3.7530 -3.7308 -3.7269 -3.7101 -3.7088 -0.4037 -0.3959 0.1411 0.1820 0.1896 0.2403 0.2831 0.3158 0.3403 0.3749 0.4319 0.4883 0.5583 0.5977 0.5984 0.6961 0.8248 0.8718 0.9246 1.0179 1.2276 1.2380 1.3497 1.3784 1.4218 1.4662 1.7046 1.8370 2.1253 2.1975 2.2860 2.3411 2.4340 2.4343 2.8069 2.8950 2.9740 2.9757 3.1228 3.1414 3.6281 3.6444 4.0561 4.0743 6.3696 6.3896 7.5950 7.6652 8.4590 8.5053 8.5776 8.6153 9.0837 9.1133 9.3706 9.4383 k = 0.0000 0.0000 0.3611 ( 11488 PWs) bands (ev): -8.4134 -8.4128 -8.0818 -8.0792 -8.0783 -8.0775 -8.0491 -8.0473 -4.4047 -4.4025 -4.3883 -4.3864 -3.7566 -3.7535 -3.7306 -3.7272 -3.7099 -3.7088 -0.4027 -0.3939 0.1325 0.1753 0.1829 0.2288 0.2831 0.3129 0.3449 0.3795 0.4343 0.4943 0.5440 0.5971 0.6013 0.7094 0.8226 0.8687 0.9069 1.0272 1.2153 1.2234 1.3506 1.3506 1.3895 1.4576 1.6931 1.8366 2.1295 2.2311 2.3250 2.3730 2.4668 2.4670 2.8398 2.9082 3.0100 3.0184 3.0944 3.1095 3.5729 3.6052 4.0345 4.0518 6.4217 6.4477 7.6170 7.6886 8.4906 8.5057 8.5302 8.6155 9.0903 9.1082 9.3950 9.4497 k = 0.0000 0.0000 0.3852 ( 11488 PWs) bands (ev): -8.4025 -8.4019 -8.0868 -8.0841 -8.0832 -8.0824 -8.0503 -8.0485 -4.4049 -4.4021 -4.3885 -4.3867 -3.7562 -3.7541 -3.7304 -3.7275 -3.7098 -3.7087 -0.4031 -0.3932 0.1233 0.1681 0.1755 0.2166 0.2833 0.3105 0.3466 0.3839 0.4401 0.4976 0.5328 0.5941 0.6050 0.7232 0.8210 0.8646 0.8939 1.0369 1.2028 1.2071 1.3233 1.3495 1.3616 1.4502 1.6823 1.8364 2.1356 2.2638 2.3658 2.4043 2.5024 2.5060 2.8716 2.8964 3.0052 3.0618 3.0894 3.1196 3.5183 3.5662 4.0122 4.0285 6.4680 6.5001 7.6406 7.7139 8.4160 8.4458 8.5778 8.6611 9.1039 9.1088 9.4229 9.4665 k = 0.0000 0.0000 0.4092 ( 11484 PWs) bands (ev): -8.3913 -8.3906 -8.0918 -8.0891 -8.0883 -8.0874 -8.0518 -8.0499 -4.4051 -4.4017 -4.3888 -4.3869 -3.7557 -3.7548 -3.7300 -3.7277 -3.7096 -3.7086 -0.4050 -0.3939 0.1136 0.1604 0.1676 0.2035 0.2836 0.3084 0.3455 0.3874 0.4491 0.4938 0.5299 0.5894 0.6087 0.7371 0.8201 0.8600 0.8862 1.0467 1.1889 1.1900 1.2976 1.3283 1.3573 1.4437 1.6719 1.8360 2.1440 2.2962 2.4078 2.4327 2.5407 2.5514 2.8687 2.8997 2.9668 3.0980 3.1235 3.1519 3.4646 3.5271 3.9893 4.0042 6.5077 6.5459 7.6664 7.7413 8.3337 8.3732 8.6202 8.7030 9.1167 9.1257 9.4547 9.4888 k = 0.0000 0.0000 0.4333 ( 11514 PWs) bands (ev): -8.3797 -8.3789 -8.0969 -8.0942 -8.0933 -8.0925 -8.0535 -8.0516 -4.4054 -4.4013 -4.3890 -4.3871 -3.7555 -3.7553 -3.7297 -3.7280 -3.7094 -3.7085 -0.4083 -0.3961 0.1033 0.1525 0.1591 0.1895 0.2842 0.3068 0.3423 0.3896 0.4601 0.4840 0.5349 0.5833 0.6121 0.7507 0.8198 0.8566 0.8823 1.0562 1.1682 1.1771 1.2741 1.3052 1.3595 1.4380 1.6617 1.8352 2.1544 2.3285 2.4501 2.4565 2.5816 2.6020 2.8349 2.9006 2.9541 3.1270 3.1627 3.1959 3.4132 3.4877 3.9658 3.9793 6.5401 6.5839 7.6950 7.7713 8.2490 8.2953 8.6521 8.7341 9.1327 9.1556 9.4904 9.5166 k = 0.0000 0.0000 0.4574 ( 11498 PWs) bands (ev): -8.3677 -8.3669 -8.1020 -8.0993 -8.0983 -8.0975 -8.0556 -8.0536 -4.4056 -4.4010 -4.3892 -4.3872 -3.7562 -3.7549 -3.7293 -3.7281 -3.7091 -3.7084 -0.4131 -0.3998 0.0923 0.1446 0.1500 0.1749 0.2849 0.3056 0.3382 0.3898 0.4713 0.4734 0.5437 0.5768 0.6150 0.7635 0.8203 0.8560 0.8810 1.0651 1.1455 1.1641 1.2534 1.2864 1.3623 1.4330 1.6514 1.8336 2.1666 2.3609 2.4745 2.4922 2.6251 2.6553 2.8009 2.8709 2.9793 3.1516 3.2016 3.2392 3.3688 3.4480 3.9420 3.9538 6.5647 6.6133 7.7268 7.8040 8.1627 8.2141 8.6742 8.7550 9.1560 9.1921 9.5302 9.5499 k = 0.0000 0.0000 0.4815 ( 11482 PWs) bands (ev): -8.3554 -8.3546 -8.1070 -8.1043 -8.1033 -8.1025 -8.0579 -8.0559 -4.4058 -4.4006 -4.3893 -4.3873 -3.7568 -3.7545 -3.7288 -3.7282 -3.7089 -3.7083 -0.4192 -0.4049 0.0808 0.1367 0.1403 0.1599 0.2857 0.3048 0.3337 0.3876 0.4643 0.4806 0.5541 0.5716 0.6175 0.7754 0.8213 0.8587 0.8815 1.0731 1.1216 1.1517 1.2361 1.2723 1.3652 1.4286 1.6409 1.8308 2.1801 2.3927 2.4848 2.5331 2.6709 2.7077 2.7701 2.8483 3.0109 3.1677 3.2390 3.2654 3.3497 3.4083 3.9178 3.9277 6.5811 6.6336 7.7621 7.8394 8.0756 8.1306 8.6886 8.7681 9.1851 9.2329 9.5740 9.5883 k = 0.0000 0.0000 0.5055 ( 11494 PWs) bands (ev): -8.3429 -8.3421 -8.1118 -8.1093 -8.1082 -8.1074 -8.0607 -8.0586 -4.4061 -4.4004 -4.3894 -4.3873 -3.7575 -3.7541 -3.7284 -3.7283 -3.7087 -3.7081 -0.4265 -0.4113 0.0689 0.1289 0.1295 0.1453 0.2866 0.3041 0.3294 0.3828 0.4575 0.4854 0.5655 0.5697 0.6196 0.7857 0.8226 0.8641 0.8838 1.0796 1.0979 1.1405 1.2219 1.2622 1.3679 1.4246 1.6300 1.8265 2.1937 2.4225 2.4869 2.5723 2.7178 2.7458 2.7515 2.8463 3.0445 3.1620 3.2677 3.2743 3.3690 3.3747 3.8933 3.9013 6.5894 6.6445 7.8007 7.8772 7.9882 8.0456 8.6980 8.7761 9.2181 9.2761 9.6217 9.6315 k = 0.0000 0.0000 0.5296 ( 11508 PWs) bands (ev): -8.3302 -8.3293 -8.1166 -8.1141 -8.1129 -8.1122 -8.0638 -8.0617 -4.4063 -4.4002 -4.3895 -4.3873 -3.7581 -3.7538 -3.7283 -3.7279 -3.7085 -3.7080 -0.4348 -0.4189 0.0567 0.1168 0.1213 0.1322 0.2876 0.3037 0.3253 0.3759 0.4525 0.4846 0.5723 0.5773 0.6214 0.7942 0.8240 0.8706 0.8889 1.0757 1.0844 1.1315 1.2109 1.2557 1.3705 1.4211 1.6187 1.8205 2.2068 2.4430 2.4872 2.6089 2.7258 2.7695 2.7779 2.8734 3.0800 3.1286 3.2791 3.3074 3.3308 3.4165 3.8688 3.8746 6.5899 6.6461 7.8402 7.9035 7.9153 7.9616 8.7048 8.7812 9.2534 9.3208 9.6732 9.6794 k = 0.0000 0.0000 0.5537 ( 11506 PWs) bands (ev): -8.3174 -8.3164 -8.1212 -8.1188 -8.1175 -8.1168 -8.0673 -8.0652 -4.4065 -4.4000 -4.3894 -4.3873 -3.7585 -3.7536 -3.7283 -3.7275 -3.7082 -3.7078 -0.4439 -0.4275 0.0445 0.1021 0.1140 0.1211 0.2887 0.3035 0.3217 0.3679 0.4487 0.4789 0.5787 0.5890 0.6235 0.8007 0.8253 0.8756 0.8984 1.0563 1.0871 1.1254 1.2030 1.2525 1.3729 1.4179 1.6071 1.8125 2.2183 2.4387 2.5028 2.6410 2.7193 2.7950 2.8188 2.9180 3.0823 3.1177 3.2951 3.2996 3.3382 3.4605 3.8443 3.8476 6.5830 6.6390 7.8084 7.8705 7.8937 7.9622 8.7105 8.7849 9.2901 9.3665 9.7281 9.7313 k = 0.0000 0.0000 0.5777 ( 11504 PWs) bands (ev): -8.3045 -8.3035 -8.1256 -8.1234 -8.1219 -8.1212 -8.0712 -8.0691 -4.4066 -4.4000 -4.3893 -4.3873 -3.7590 -3.7534 -3.7281 -3.7271 -3.7080 -3.7076 -0.4536 -0.4369 0.0324 0.0863 0.1070 0.1114 0.2898 0.3034 0.3185 0.3596 0.4453 0.4704 0.5868 0.5994 0.6270 0.8050 0.8263 0.8778 0.9126 1.0408 1.0882 1.1220 1.1982 1.2521 1.3752 1.4151 1.5950 1.8025 2.2275 2.4184 2.5270 2.6658 2.7256 2.8125 2.8678 2.9655 3.0333 3.1556 3.2655 3.3229 3.3664 3.5034 3.8200 3.8207 6.5695 6.6241 7.7246 7.7853 7.9396 8.0048 8.7164 8.7882 9.3278 9.4132 9.7861 9.7869 k = 0.0000 0.0000 0.6018 ( 11508 PWs) bands (ev): -8.2916 -8.2905 -8.1297 -8.1277 -8.1261 -8.1254 -8.0756 -8.0734 -4.4067 -4.4000 -4.3892 -4.3873 -3.7593 -3.7533 -3.7280 -3.7267 -3.7078 -3.7075 -0.4636 -0.4468 0.0208 0.0703 0.1002 0.1027 0.2909 0.3033 0.3158 0.3514 0.4419 0.4607 0.5951 0.6065 0.6337 0.8075 0.8266 0.8771 0.9299 1.0299 1.0884 1.1204 1.1965 1.2546 1.3771 1.4126 1.5828 1.7904 2.2345 2.3936 2.5502 2.6830 2.7436 2.8317 2.9127 2.9894 3.0106 3.1801 3.2567 3.3467 3.3921 3.5441 3.7938 3.7964 6.5506 6.6025 7.6413 7.7009 7.9886 8.0486 8.7232 8.7916 9.3664 9.4610 9.8455 9.8467 k = 0.0000 0.0000 0.6259 ( 11508 PWs) bands (ev): -8.2787 -8.2776 -8.1336 -8.1317 -8.1300 -8.1294 -8.0804 -8.0782 -4.4068 -4.4001 -4.3890 -4.3872 -3.7595 -3.7533 -3.7278 -3.7263 -3.7076 -3.7073 -0.4736 -0.4572 0.0096 0.0547 0.0938 0.0947 0.2920 0.3033 0.3134 0.3438 0.4381 0.4507 0.6026 0.6100 0.6438 0.8082 0.8263 0.8737 0.9491 1.0237 1.0885 1.1194 1.1979 1.2598 1.3789 1.4103 1.5706 1.7762 2.2396 2.3685 2.5693 2.6964 2.7653 2.8516 2.9260 2.9821 3.0521 3.1720 3.2882 3.3701 3.4153 3.5814 3.7674 3.7741 6.5272 6.5756 7.5606 7.6184 8.0382 8.0922 8.7310 8.7953 9.4060 9.5101 9.9062 9.9085 k = 0.0000 0.0000 0.6500 ( 11516 PWs) bands (ev): -8.2659 -8.2647 -8.1372 -8.1355 -8.1336 -8.1331 -8.0857 -8.0835 -4.4067 -4.4003 -4.3888 -4.3872 -3.7596 -3.7534 -3.7275 -3.7260 -3.7074 -3.7072 -0.4834 -0.4676 -0.0008 0.0397 0.0874 0.0878 0.2932 0.3033 0.3115 0.3368 0.4340 0.4412 0.6089 0.6116 0.6558 0.8076 0.8255 0.8681 0.9691 1.0218 1.0886 1.1187 1.2024 1.2675 1.3803 1.4082 1.5588 1.7602 2.2436 2.3448 2.5825 2.7042 2.7838 2.8714 2.9063 3.0201 3.0904 3.1523 3.3379 3.3926 3.4359 3.6137 3.7416 3.7543 6.5006 6.5450 7.4836 7.5389 8.0874 8.1349 8.7399 8.7996 9.4468 9.5604 9.9408 9.9662 k = 0.0000 0.0000 0.6740 ( 11516 PWs) bands (ev): -8.2532 -8.2520 -8.1404 -8.1390 -8.1369 -8.1364 -8.0915 -8.0892 -4.4066 -4.4006 -4.3886 -4.3871 -3.7596 -3.7536 -3.7273 -3.7257 -3.7072 -3.7070 -0.4928 -0.4779 -0.0103 0.0256 0.0809 0.0821 0.2943 0.3034 0.3098 0.3306 0.4296 0.4323 0.6124 0.6140 0.6685 0.8057 0.8242 0.8611 0.9889 1.0232 1.0883 1.1181 1.2097 1.2773 1.3814 1.4064 1.5480 1.7424 2.2474 2.3239 2.5887 2.6972 2.8000 2.8907 2.9018 3.0617 3.1251 3.1341 3.3915 3.4139 3.4539 3.6377 3.7172 3.7402 6.4722 6.5120 7.4113 7.4632 8.1350 8.1758 8.7498 8.8042 9.4891 9.6117 9.9376 9.9646 k = 0.0000 0.0000 0.6981 ( 11512 PWs) bands (ev): -8.2408 -8.2395 -8.1433 -8.1422 -8.1399 -8.1395 -8.0977 -8.0954 -4.4065 -4.4009 -4.3884 -4.3871 -3.7596 -3.7538 -3.7270 -3.7255 -3.7071 -3.7069 -0.5016 -0.4879 -0.0187 0.0125 0.0751 0.0769 0.2954 0.3034 0.3084 0.3252 0.4245 0.4250 0.6130 0.6178 0.6813 0.8029 0.8227 0.8537 1.0076 1.0271 1.0873 1.1176 1.2194 1.2887 1.3823 1.4047 1.5389 1.7234 2.2517 2.3064 2.5876 2.6720 2.8208 2.9094 2.9135 3.1012 3.1164 3.1597 3.4336 3.4442 3.4696 3.6476 3.6952 3.7371 6.4433 6.4782 7.3446 7.3925 8.1799 8.2140 8.7603 8.8090 9.5330 9.6633 9.9310 9.9545 k = 0.0000 0.0000 0.7222 ( 11518 PWs) bands (ev): -8.2285 -8.2273 -8.1459 -8.1450 -8.1425 -8.1422 -8.1043 -8.1020 -4.4063 -4.4013 -4.3882 -4.3870 -3.7594 -3.7541 -3.7267 -3.7253 -3.7069 -3.7068 -0.5094 -0.4971 -0.0260 0.0007 0.0701 0.0723 0.2965 0.3034 0.3073 0.3205 0.4176 0.4203 0.6137 0.6204 0.6940 0.7990 0.8211 0.8464 1.0232 1.0341 1.0854 1.1172 1.2309 1.3004 1.3828 1.4032 1.5323 1.7033 2.2568 2.2926 2.5798 2.6367 2.8467 2.9275 2.9321 3.1024 3.1376 3.1904 3.4515 3.4828 3.4922 3.6423 3.6777 3.7458 6.4152 6.4451 7.2847 7.3278 8.2213 8.2489 8.7711 8.8136 9.5785 9.7135 9.9229 9.9469 k = 0.0000 0.0000 0.7463 ( 11502 PWs) bands (ev): -8.2167 -8.2154 -8.1481 -8.1475 -8.1447 -8.1445 -8.1114 -8.1091 -4.4060 -4.4017 -4.3879 -4.3870 -3.7591 -3.7545 -3.7264 -3.7251 -3.7068 -3.7067 -0.5162 -0.5056 -0.0320 -0.0099 0.0659 0.0681 0.2976 0.3035 0.3064 0.3165 0.4120 0.4158 0.6145 0.6221 0.7063 0.7943 0.8197 0.8398 1.0327 1.0464 1.0827 1.1165 1.2437 1.3110 1.3832 1.4017 1.5292 1.6825 2.2629 2.2829 2.5666 2.5994 2.8750 2.9447 2.9519 3.0898 3.1706 3.2181 3.4672 3.4936 3.5304 3.6290 3.6687 3.7589 6.3892 6.4140 7.2326 7.2699 8.2581 8.2797 8.7818 8.8178 9.6255 9.7593 9.9144 9.9453 k = 0.0000 0.0000 0.7703 ( 11512 PWs) bands (ev): -8.2052 -8.2040 -8.1499 -8.1496 -8.1465 -8.1465 -8.1188 -8.1164 -4.4057 -4.4021 -4.3877 -4.3870 -3.7588 -3.7549 -3.7261 -3.7251 -3.7067 -3.7066 -0.5217 -0.5130 -0.0367 -0.0190 0.0625 0.0646 0.2986 0.3035 0.3057 0.3131 0.4075 0.4116 0.6154 0.6228 0.7182 0.7888 0.8186 0.8339 1.0392 1.0600 1.0793 1.1153 1.2571 1.3187 1.3839 1.4002 1.5304 1.6614 2.2693 2.2771 2.5501 2.5644 2.9035 2.9604 2.9703 3.0774 3.1997 3.2415 3.4807 3.5022 3.5525 3.6134 3.6744 3.7703 6.3665 6.3863 7.1891 7.2201 8.2895 8.3057 8.7920 8.8212 9.6731 9.7952 9.9071 9.9545 k = 0.0000 0.0000 0.7944 ( 11526 PWs) bands (ev): -8.1944 -8.1933 -8.1514 -8.1514 -8.1481 -8.1480 -8.1263 -8.1239 -4.4053 -4.4026 -4.3876 -4.3870 -3.7584 -3.7554 -3.7258 -3.7251 -3.7066 -3.7065 -0.5259 -0.5192 -0.0399 -0.0267 0.0600 0.0617 0.2996 0.3034 0.3052 0.3103 0.4042 0.4079 0.6166 0.6229 0.7295 0.7826 0.8179 0.8290 1.0451 1.0725 1.0753 1.1132 1.2705 1.3219 1.3854 1.3986 1.5366 1.6402 2.2750 2.2754 2.5325 2.5347 2.9309 2.9738 2.9860 3.0645 3.2249 3.2595 3.4918 3.5083 3.5589 3.5980 3.6942 3.7773 6.3482 6.3629 7.1553 7.1792 8.3150 8.3264 8.8013 8.8234 9.7200 9.8165 9.9029 9.9774 k = 0.0000 0.0000 0.8185 ( 11530 PWs) bands (ev): -8.1844 -8.1835 -8.1530 -8.1526 -8.1493 -8.1492 -8.1333 -8.1311 -4.4049 -4.4030 -4.3874 -4.3870 -3.7580 -3.7559 -3.7256 -3.7251 -3.7065 -3.7065 -0.5286 -0.5241 -0.0416 -0.0328 0.0582 0.0595 0.3006 0.3033 0.3049 0.3080 0.4021 0.4049 0.6178 0.6224 0.7401 0.7756 0.8178 0.8250 1.0507 1.0710 1.0833 1.1101 1.2834 1.3204 1.3878 1.3970 1.5473 1.6192 2.2758 2.2799 2.5127 2.5161 2.9556 2.9839 2.9988 3.0506 3.2457 3.2709 3.5003 3.5118 3.5590 3.5842 3.7193 3.7784 6.3351 6.3449 7.1318 7.1480 8.3339 8.3412 8.8093 8.8242 9.7630 9.8247 9.9047 10.0009 k = 0.0000 0.0000 0.8425 ( 11522 PWs) bands (ev): -8.1762 -8.1756 -8.1545 -8.1540 -8.1502 -8.1501 -8.1387 -8.1371 -4.4045 -4.4035 -4.3873 -4.3871 -3.7575 -3.7564 -3.7254 -3.7251 -3.7065 -3.7065 -0.5298 -0.5275 -0.0417 -0.0374 0.0574 0.0580 0.3017 0.3031 0.3050 0.3064 0.4012 0.4027 0.6191 0.6215 0.7501 0.7678 0.8184 0.8219 1.0562 1.0663 1.0924 1.1057 1.2955 1.3148 1.3904 1.3951 1.5620 1.5988 2.2784 2.2819 2.5001 2.5036 2.9756 2.9892 3.0094 3.0357 3.2617 3.2750 3.5065 3.5124 3.5601 3.5729 3.7426 3.7730 6.3279 6.3328 7.1192 7.1274 8.3461 8.3496 8.8157 8.8232 9.7966 9.8244 9.9173 9.9778 k = 0.0000 0.0000 0.8666 ( 11524 PWs) bands (ev): -8.1723 -8.1723 -8.1552 -8.1552 -8.1505 -8.1505 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7252 -3.7252 -3.7065 -3.7065 -0.5294 -0.5294 -0.0403 -0.0403 0.0573 0.0573 0.3025 0.3025 0.3054 0.3054 0.4015 0.4015 0.6204 0.6204 0.7593 0.7593 0.8197 0.8197 1.0613 1.0613 1.0998 1.0998 1.3062 1.3062 1.3929 1.3929 1.5794 1.5794 2.2810 2.2810 2.4975 2.4975 2.9873 2.9873 3.0212 3.0212 3.2717 3.2717 3.5106 3.5106 3.5647 3.5647 3.7610 3.7610 6.3271 6.3271 7.1177 7.1177 8.3513 8.3513 8.8204 8.8204 9.8163 9.8163 9.9436 9.9436 k = 0.0000 0.0000 0.8666 ( 11524 PWs) bands (ev): -8.1723 -8.1723 -8.1552 -8.1552 -8.1505 -8.1505 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7252 -3.7252 -3.7065 -3.7065 -0.5294 -0.5294 -0.0403 -0.0403 0.0573 0.0573 0.3025 0.3025 0.3054 0.3054 0.4015 0.4015 0.6204 0.6204 0.7593 0.7593 0.8197 0.8197 1.0613 1.0613 1.0998 1.0998 1.3062 1.3062 1.3929 1.3929 1.5794 1.5794 2.2810 2.2810 2.4975 2.4975 2.9873 2.9873 3.0212 3.0212 3.2717 3.2717 3.5106 3.5106 3.5647 3.5647 3.7610 3.7610 6.3271 6.3271 7.1177 7.1177 8.3513 8.3513 8.8204 8.8204 9.8163 9.8163 9.9436 9.9436 k =-0.0139 0.0196 0.8666 ( 11524 PWs) bands (ev): -8.1727 -8.1721 -8.1551 -8.1549 -8.1508 -8.1504 -8.1403 -8.1402 -4.4044 -4.4037 -4.3875 -4.3869 -3.7573 -3.7567 -3.7255 -3.7250 -3.7068 -3.7062 -0.5310 -0.5268 -0.0441 -0.0363 0.0558 0.0587 0.3001 0.3041 0.3056 0.3059 0.3949 0.4087 0.6064 0.6360 0.7527 0.7663 0.8089 0.8323 1.0599 1.0624 1.0958 1.1049 1.3021 1.3104 1.3869 1.3990 1.5764 1.5841 2.2772 2.2849 2.4923 2.5022 2.9821 2.9881 3.0193 3.0214 3.2679 3.2747 3.5082 3.5118 3.5550 3.5687 3.7602 3.7608 6.3295 6.3301 7.1165 7.1231 8.3477 8.3604 8.8226 8.8250 9.8072 9.8172 9.9318 9.9431 k =-0.0277 0.0392 0.8666 ( 11546 PWs) bands (ev): -8.1733 -8.1722 -8.1546 -8.1542 -8.1514 -8.1505 -8.1404 -8.1403 -4.4048 -4.4034 -4.3879 -4.3867 -3.7577 -3.7566 -3.7258 -3.7249 -3.7073 -3.7059 -0.5316 -0.5233 -0.0474 -0.0319 0.0541 0.0598 0.2981 0.3029 0.3062 0.3085 0.3891 0.4163 0.5942 0.6530 0.7466 0.7734 0.7997 0.8465 1.0576 1.0632 1.0934 1.1103 1.2984 1.3144 1.3809 1.4051 1.5751 1.5902 2.2735 2.2890 2.4865 2.5063 2.9718 2.9843 3.0160 3.0202 3.2633 3.2765 3.5046 3.5112 3.5401 3.5671 3.7584 3.7599 6.3373 6.3384 7.1196 7.1327 8.3495 8.3748 8.8317 8.8366 9.7880 9.8097 9.9054 9.9301 k =-0.0416 0.0589 0.8666 ( 11526 PWs) bands (ev): -8.1742 -8.1725 -8.1536 -8.1531 -8.1521 -8.1507 -8.1407 -8.1404 -4.4052 -4.4031 -4.3882 -4.3865 -3.7581 -3.7565 -3.7262 -3.7247 -3.7077 -3.7057 -0.5312 -0.5188 -0.0502 -0.0275 0.0525 0.0605 0.2967 0.3012 0.3062 0.3117 0.3844 0.4239 0.5841 0.6710 0.7412 0.7803 0.7926 0.8626 1.0544 1.0642 1.0936 1.1158 1.2955 1.3179 1.3753 1.4114 1.5755 1.5976 2.2698 2.2934 2.4803 2.5099 2.9562 2.9755 3.0123 3.0181 3.2584 3.2769 3.4998 3.5054 3.5240 3.5605 3.7556 3.7582 6.3502 6.3517 7.1269 7.1464 8.3562 8.3937 8.8471 8.8548 9.7557 9.7888 9.8649 9.9014 k =-0.0554 0.0785 0.8666 ( 11524 PWs) bands (ev): -8.1755 -8.1734 -8.1532 -8.1522 -8.1513 -8.1512 -8.1408 -8.1404 -4.4056 -4.4029 -4.3886 -4.3863 -3.7585 -3.7565 -3.7265 -3.7246 -3.7082 -3.7055 -0.5299 -0.5137 -0.0522 -0.0231 0.0509 0.0609 0.2959 0.2992 0.3059 0.3150 0.3808 0.4309 0.5765 0.6892 0.7366 0.7868 0.7879 0.8800 1.0505 1.0653 1.0964 1.1211 1.2935 1.3206 1.3703 1.4177 1.5777 1.6063 2.2660 2.2979 2.4736 2.5130 2.9350 2.9616 3.0087 3.0151 3.2532 3.2760 3.4843 3.4935 3.5166 3.5495 3.7516 3.7559 6.3679 6.3695 7.1383 7.1642 8.3670 8.4161 8.8684 8.8794 9.7074 9.7432 9.8209 9.8557 k =-0.0693 0.0981 0.8666 ( 11528 PWs) bands (ev): -8.1773 -8.1748 -8.1542 -8.1520 -8.1503 -8.1493 -8.1407 -8.1402 -4.4061 -4.4028 -4.3891 -4.3863 -3.7590 -3.7567 -3.7270 -3.7245 -3.7087 -3.7054 -0.5277 -0.5081 -0.0535 -0.0187 0.0495 0.0607 0.2959 0.2969 0.3055 0.3183 0.3781 0.4366 0.5717 0.7059 0.7326 0.7873 0.7927 0.8985 1.0467 1.0663 1.1019 1.1262 1.2927 1.3222 1.3662 1.4244 1.5816 1.6159 2.2620 2.3028 2.4664 2.5154 2.9087 2.9430 3.0052 3.0112 3.2479 3.2736 3.4534 3.4851 3.5134 3.5351 3.7465 3.7530 6.3899 6.3914 7.1537 7.1859 8.3806 8.4406 8.8946 8.9096 9.6423 9.6712 9.7786 9.7973 k =-0.0832 0.1177 0.8666 ( 11522 PWs) bands (ev): -8.1797 -8.1769 -8.1554 -8.1530 -8.1482 -8.1469 -8.1401 -8.1396 -4.4065 -4.4027 -4.3895 -4.3862 -3.7595 -3.7570 -3.7275 -3.7245 -3.7092 -3.7053 -0.5249 -0.5021 -0.0537 -0.0146 0.0484 0.0599 0.2944 0.2966 0.3051 0.3217 0.3766 0.4406 0.5702 0.7182 0.7292 0.7934 0.7976 0.9173 1.0436 1.0674 1.1103 1.1313 1.2932 1.3225 1.3635 1.4314 1.5872 1.6265 2.2577 2.3079 2.4588 2.5173 2.8778 2.9205 3.0017 3.0064 3.2427 3.2698 3.4172 3.4735 3.5105 3.5192 3.7404 3.7494 6.4155 6.4165 7.1730 7.2114 8.3956 8.4654 8.9246 8.9448 9.5633 9.5859 9.7292 9.7307 k =-0.0970 0.1374 0.8666 ( 11516 PWs) bands (ev): -8.1827 -8.1797 -8.1570 -8.1546 -8.1456 -8.1441 -8.1388 -8.1383 -4.4070 -4.4028 -4.3899 -4.3862 -3.7599 -3.7573 -3.7280 -3.7245 -3.7097 -3.7052 -0.5216 -0.4961 -0.0529 -0.0107 0.0477 0.0584 0.2916 0.2973 0.3053 0.3251 0.3762 0.4424 0.5721 0.7226 0.7273 0.8012 0.8085 0.9358 1.0419 1.0683 1.1218 1.1366 1.2952 1.3214 1.3629 1.4390 1.5942 1.6378 2.2530 2.3132 2.4509 2.5187 2.8432 2.8948 2.9981 3.0002 3.2376 3.2642 3.3773 3.4570 3.5040 3.5073 3.7335 3.7453 6.4442 6.4444 7.1960 7.2404 8.4105 8.4886 8.9563 8.9838 9.4747 9.4959 9.6573 9.6687 k =-0.1109 0.1570 0.8666 ( 11508 PWs) bands (ev): -8.1862 -8.1832 -8.1591 -8.1567 -8.1427 -8.1410 -8.1369 -8.1365 -4.4074 -4.4029 -4.3903 -4.3862 -3.7604 -3.7578 -3.7285 -3.7245 -3.7102 -3.7052 -0.5179 -0.4904 -0.0508 -0.0074 0.0477 0.0563 0.2885 0.2972 0.3071 0.3283 0.3767 0.4420 0.5771 0.7193 0.7277 0.8035 0.8309 0.9532 1.0421 1.0689 1.1368 1.1423 1.2987 1.3192 1.3644 1.4473 1.6026 1.6498 2.2477 2.3188 2.4426 2.5195 2.8056 2.8666 2.9926 2.9941 3.2326 3.2562 3.3357 3.4350 3.4911 3.5036 3.7259 3.7405 6.4741 6.4751 7.2225 7.2728 8.4237 8.5085 8.9866 9.0252 9.3807 9.4069 9.5777 9.5974 k =-0.1247 0.1766 0.8666 ( 11498 PWs) bands (ev): -8.1902 -8.1872 -8.1615 -8.1593 -8.1395 -8.1375 -8.1343 -8.1340 -4.4078 -4.4031 -4.3907 -4.3862 -3.7607 -3.7585 -3.7292 -3.7245 -3.7107 -3.7052 -0.5142 -0.4851 -0.0475 -0.0047 0.0487 0.0536 0.2853 0.2960 0.3109 0.3315 0.3784 0.4397 0.5846 0.7137 0.7275 0.8042 0.8582 0.9689 1.0443 1.0692 1.1487 1.1553 1.3036 1.3164 1.3683 1.4565 1.6121 1.6622 2.2418 2.3245 2.4341 2.5197 2.7657 2.8367 2.9833 2.9897 3.2275 3.2425 3.2963 3.4088 3.4799 3.4995 3.7177 3.7353 6.5050 6.5074 7.2523 7.3081 8.4337 8.5232 9.0093 9.0665 9.2848 9.3252 9.4929 9.5172 k =-0.1247 0.1766 0.8666 ( 11498 PWs) bands (ev): -8.1902 -8.1872 -8.1615 -8.1593 -8.1395 -8.1375 -8.1343 -8.1340 -4.4078 -4.4031 -4.3907 -4.3862 -3.7607 -3.7585 -3.7292 -3.7245 -3.7107 -3.7052 -0.5142 -0.4851 -0.0475 -0.0047 0.0487 0.0536 0.2853 0.2960 0.3109 0.3315 0.3784 0.4397 0.5846 0.7137 0.7275 0.8042 0.8582 0.9689 1.0443 1.0692 1.1487 1.1553 1.3036 1.3164 1.3683 1.4565 1.6121 1.6622 2.2418 2.3245 2.4341 2.5197 2.7657 2.8367 2.9833 2.9897 3.2275 3.2425 3.2963 3.4088 3.4799 3.4995 3.7177 3.7353 6.5050 6.5074 7.2523 7.3081 8.4337 8.5232 9.0093 9.0665 9.2848 9.3252 9.4929 9.5172 k =-0.1346 0.1906 0.8495 ( 11498 PWs) bands (ev): -8.1934 -8.1904 -8.1634 -8.1613 -8.1414 -8.1393 -8.1286 -8.1267 -4.4081 -4.4033 -4.3910 -4.3862 -3.7611 -3.7589 -3.7296 -3.7246 -3.7110 -3.7052 -0.5112 -0.4813 -0.0441 -0.0029 0.0502 0.0514 0.2828 0.2949 0.3145 0.3339 0.3803 0.4373 0.5911 0.7084 0.7271 0.8038 0.8786 0.9795 1.0466 1.0695 1.1526 1.1715 1.3066 1.3144 1.3729 1.4634 1.6182 1.6736 2.2363 2.3288 2.4299 2.5201 2.7363 2.8137 2.9671 2.9931 3.2134 3.2336 3.2742 3.3886 3.4714 3.4972 3.7069 3.7341 6.5282 6.5332 7.2776 7.3375 8.4368 8.5284 9.0141 9.0924 9.2087 9.2805 9.4235 9.4710 k =-0.1445 0.2046 0.8324 ( 11502 PWs) bands (ev): -8.1967 -8.1938 -8.1654 -8.1633 -8.1449 -8.1428 -8.1203 -8.1184 -4.4084 -4.4035 -4.3913 -4.3862 -3.7616 -3.7592 -3.7301 -3.7247 -3.7113 -3.7052 -0.5076 -0.4772 -0.0396 -0.0008 0.0492 0.0528 0.2800 0.2938 0.3185 0.3368 0.3831 0.4348 0.5984 0.7020 0.7268 0.8024 0.8978 0.9908 1.0484 1.0707 1.1565 1.1890 1.3053 1.3152 1.3795 1.4707 1.6233 1.6881 2.2290 2.3335 2.4292 2.5197 2.7075 2.7887 2.9471 2.9958 3.1869 3.2268 3.2573 3.3674 3.4612 3.4963 3.6918 3.7340 6.5541 6.5625 7.3087 7.3733 8.4349 8.5273 9.0030 9.1013 9.1375 9.2426 9.3606 9.4386 k =-0.1544 0.2185 0.8153 ( 11499 PWs) bands (ev): -8.2001 -8.1972 -8.1672 -8.1653 -8.1483 -8.1464 -8.1121 -8.1102 -4.4087 -4.4037 -4.3916 -4.3863 -3.7622 -3.7593 -3.7307 -3.7249 -3.7116 -3.7053 -0.5034 -0.4728 -0.0342 0.0015 0.0472 0.0563 0.2769 0.2930 0.3230 0.3405 0.3865 0.4322 0.6062 0.6949 0.7264 0.8000 0.9145 1.0037 1.0490 1.0738 1.1611 1.2069 1.3004 1.3184 1.3885 1.4783 1.6287 1.7044 2.2204 2.3384 2.4313 2.5159 2.6816 2.7621 2.9252 2.9959 3.1578 3.2151 3.2436 3.3453 3.4497 3.4959 3.6765 3.7328 6.5826 6.5948 7.3451 7.4147 8.4280 8.5205 8.9710 9.0394 9.1249 9.2051 9.3225 9.4169 k =-0.1642 0.2325 0.7982 ( 11502 PWs) bands (ev): -8.2034 -8.2006 -8.1691 -8.1672 -8.1516 -8.1498 -8.1040 -8.1021 -4.4090 -4.4040 -4.3919 -4.3863 -3.7629 -3.7594 -3.7312 -3.7251 -3.7118 -3.7053 -0.4987 -0.4682 -0.0283 0.0044 0.0451 0.0607 0.2734 0.2923 0.3277 0.3450 0.3904 0.4300 0.6140 0.6873 0.7258 0.7964 0.9277 1.0179 1.0488 1.0787 1.1669 1.2238 1.2946 1.3221 1.4002 1.4864 1.6351 1.7215 2.2111 2.3431 2.4344 2.5066 2.6612 2.7349 2.9015 2.9937 3.1291 3.1988 3.2306 3.3225 3.4375 3.4948 3.6627 3.7304 6.6134 6.6293 7.3863 7.4612 8.4166 8.5081 8.9171 8.9674 9.1057 9.1701 9.3147 9.4070 k =-0.1741 0.2465 0.7810 ( 11500 PWs) bands (ev): -8.2066 -8.2039 -8.1709 -8.1690 -8.1548 -8.1530 -8.0963 -8.0944 -4.4093 -4.4042 -4.3921 -4.3863 -3.7636 -3.7594 -3.7318 -3.7254 -3.7120 -3.7054 -0.4937 -0.4636 -0.0222 0.0080 0.0432 0.0659 0.2697 0.2917 0.3325 0.3504 0.3948 0.4281 0.6217 0.6795 0.7250 0.7919 0.9373 1.0312 1.0500 1.0848 1.1746 1.2379 1.2901 1.3260 1.4147 1.4951 1.6429 1.7391 2.2018 2.3471 2.4337 2.4944 2.6468 2.7080 2.8762 2.9901 3.1016 3.1795 3.2157 3.2993 3.4253 3.4917 3.6520 3.7274 6.6460 6.6656 7.4316 7.5121 8.4008 8.4909 8.8496 8.8986 9.0706 9.1385 9.3273 9.4077 k =-0.1840 0.2605 0.7639 ( 11496 PWs) bands (ev): -8.2097 -8.2071 -8.1726 -8.1708 -8.1579 -8.1562 -8.0889 -8.0870 -4.4095 -4.4045 -4.3924 -4.3864 -3.7643 -3.7594 -3.7323 -3.7257 -3.7122 -3.7055 -0.4884 -0.4589 -0.0165 0.0128 0.0414 0.0717 0.2656 0.2914 0.3375 0.3567 0.3995 0.4269 0.6288 0.6717 0.7239 0.7866 0.9437 1.0370 1.0580 1.0914 1.1849 1.2459 1.2901 1.3305 1.4320 1.5047 1.6519 1.7568 2.1925 2.3497 2.4206 2.4886 2.6356 2.6831 2.8497 2.9860 3.0760 3.1578 3.1976 3.2767 3.4138 3.4858 3.6452 3.7240 6.6797 6.7032 7.4803 7.5665 8.3810 8.4693 8.7797 8.8310 9.0311 9.1060 9.3493 9.4159 k =-0.1939 0.2745 0.7468 ( 11507 PWs) bands (ev): -8.2127 -8.2102 -8.1742 -8.1725 -8.1607 -8.1591 -8.0819 -8.0800 -4.4098 -4.4049 -4.3927 -4.3864 -3.7651 -3.7593 -3.7329 -3.7261 -3.7124 -3.7056 -0.4829 -0.4543 -0.0119 0.0190 0.0400 0.0781 0.2611 0.2911 0.3424 0.3637 0.4044 0.4265 0.6348 0.6644 0.7221 0.7810 0.9477 1.0367 1.0703 1.0979 1.1982 1.2454 1.2972 1.3358 1.4515 1.5155 1.6624 1.7746 2.1834 2.3487 2.3960 2.4917 2.6230 2.6628 2.8224 2.9821 3.0523 3.1338 3.1761 3.2551 3.4033 3.4771 3.6425 3.7206 6.7142 6.7414 7.5317 7.6237 8.3576 8.4437 8.7125 8.7660 8.9926 9.0721 9.3744 9.4286 k =-0.2037 0.2884 0.7297 ( 11497 PWs) bands (ev): -8.2155 -8.2130 -8.1757 -8.1741 -8.1634 -8.1619 -8.0754 -8.0735 -4.4100 -4.4052 -4.3929 -4.3864 -3.7658 -3.7592 -3.7334 -3.7265 -3.7125 -3.7057 -0.4773 -0.4499 -0.0082 0.0258 0.0396 0.0848 0.2563 0.2909 0.3473 0.3714 0.4096 0.4269 0.6384 0.6587 0.7197 0.7753 0.9497 1.0351 1.0813 1.1037 1.2145 1.2398 1.3083 1.3426 1.4720 1.5282 1.6742 1.7926 2.1745 2.3357 2.3750 2.4970 2.6066 2.6493 2.7952 2.9777 3.0315 3.1079 3.1520 3.2353 3.3942 3.4660 3.6433 3.7175 6.7487 6.7797 7.5849 7.6827 8.3308 8.4143 8.6502 8.7069 8.9564 9.0377 9.3996 9.4431 k =-0.2136 0.3024 0.7126 ( 11505 PWs) bands (ev): -8.2181 -8.2157 -8.1771 -8.1756 -8.1659 -8.1644 -8.0693 -8.0674 -4.4102 -4.4056 -4.3931 -4.3864 -3.7665 -3.7591 -3.7339 -3.7269 -3.7126 -3.7058 -0.4717 -0.4458 -0.0054 0.0302 0.0428 0.0919 0.2511 0.2908 0.3520 0.3796 0.4150 0.4282 0.6372 0.6568 0.7168 0.7698 0.9502 1.0332 1.0895 1.1089 1.2312 1.2341 1.3202 1.3518 1.4916 1.5436 1.6873 1.8108 2.1655 2.3051 2.3668 2.4994 2.5885 2.6418 2.7691 2.9696 3.0150 3.0812 3.1264 3.2174 3.3865 3.4536 3.6466 3.7149 6.7827 6.8174 7.6390 7.7425 8.3012 8.3815 8.5936 8.6561 8.9230 9.0039 9.4232 9.4577 k =-0.2235 0.3164 0.6955 ( 11510 PWs) bands (ev): -8.2205 -8.2182 -8.1784 -8.1770 -8.1682 -8.1668 -8.0637 -8.0618 -4.4103 -4.4059 -4.3933 -4.3864 -3.7671 -3.7590 -3.7344 -3.7273 -3.7126 -3.7059 -0.4663 -0.4419 -0.0032 0.0307 0.0506 0.0991 0.2456 0.2906 0.3564 0.3882 0.4206 0.4304 0.6318 0.6579 0.7137 0.7649 0.9495 1.0312 1.0948 1.1135 1.2245 1.2524 1.3315 1.3641 1.5087 1.5623 1.7018 1.8294 2.1563 2.2685 2.3613 2.4951 2.5727 2.6397 2.7449 2.9546 3.0015 3.0578 3.1011 3.2016 3.3799 3.4407 3.6515 3.7129 6.8156 6.8538 7.6930 7.8019 8.2695 8.3457 8.5437 8.6145 8.8928 8.9714 9.4442 9.4714 k =-0.2334 0.3304 0.6783 ( 11517 PWs) bands (ev): -8.2227 -8.2205 -8.1796 -8.1782 -8.1703 -8.1689 -8.0586 -8.0567 -4.4104 -4.4063 -4.3935 -4.3864 -3.7678 -3.7589 -3.7349 -3.7277 -3.7127 -3.7060 -0.4610 -0.4384 -0.0013 0.0299 0.0600 0.1065 0.2397 0.2904 0.3605 0.3969 0.4265 0.4334 0.6247 0.6587 0.7109 0.7605 0.9479 1.0292 1.0977 1.1175 1.2174 1.2710 1.3424 1.3791 1.5226 1.5839 1.7176 1.8486 2.1461 2.2318 2.3540 2.4820 2.5621 2.6423 2.7235 2.9343 2.9822 3.0426 3.0795 3.1876 3.3744 3.4279 3.6572 3.7113 6.8469 6.8883 7.7458 7.8598 8.2369 8.3081 8.5011 8.5819 8.8661 8.9409 9.4620 9.4838 k =-0.2432 0.3444 0.6612 ( 11507 PWs) bands (ev): -8.2247 -8.2225 -8.1806 -8.1794 -8.1721 -8.1709 -8.0541 -8.0522 -4.4105 -4.4067 -4.3937 -4.3864 -3.7683 -3.7587 -3.7353 -3.7281 -3.7127 -3.7061 -0.4561 -0.4352 0.0004 0.0286 0.0695 0.1143 0.2334 0.2901 0.3642 0.4055 0.4324 0.4374 0.6174 0.6577 0.7094 0.7567 0.9456 1.0271 1.0989 1.1209 1.2113 1.2877 1.3537 1.3958 1.5339 1.6065 1.7347 1.8686 2.1337 2.1981 2.3440 2.4607 2.5582 2.6481 2.7052 2.9116 2.9554 3.0277 3.0696 3.1753 3.3697 3.4159 3.6631 3.7103 6.8759 6.9203 7.7964 7.9146 8.2049 8.2701 8.4661 8.5570 8.8433 8.9127 9.4765 9.4946 k =-0.2531 0.3583 0.6441 ( 11512 PWs) bands (ev): -8.2264 -8.2243 -8.1815 -8.1804 -8.1737 -8.1725 -8.0501 -8.0482 -4.4105 -4.4071 -4.3938 -4.3864 -3.7688 -3.7586 -3.7357 -3.7285 -3.7127 -3.7062 -0.4515 -0.4326 0.0019 0.0274 0.0784 0.1224 0.2268 0.2898 0.3675 0.4138 0.4373 0.4431 0.6102 0.6543 0.7095 0.7532 0.9430 1.0249 1.0989 1.1236 1.2061 1.3017 1.3660 1.4128 1.5432 1.6285 1.7530 1.8898 2.1163 2.1702 2.3323 2.4341 2.5598 2.6543 2.6909 2.8878 2.9272 3.0065 3.0723 3.1647 3.3659 3.4048 3.6688 3.7097 6.9021 6.9493 7.8437 7.9647 8.1752 8.2334 8.4381 8.5384 8.8248 8.8873 9.4876 9.5039 k =-0.2630 0.3723 0.6270 ( 11519 PWs) bands (ev): -8.2279 -8.2258 -8.1823 -8.1812 -8.1751 -8.1740 -8.0467 -8.0449 -4.4105 -4.4075 -4.3940 -4.3864 -3.7692 -3.7585 -3.7360 -3.7288 -3.7127 -3.7063 -0.4474 -0.4304 0.0032 0.0262 0.0861 0.1310 0.2197 0.2894 0.3702 0.4214 0.4410 0.4502 0.6034 0.6489 0.7110 0.7501 0.9401 1.0226 1.0984 1.1257 1.2019 1.3128 1.3789 1.4289 1.5508 1.6485 1.7721 1.9122 2.0928 2.1498 2.3207 2.4054 2.5652 2.6552 2.6848 2.8630 2.9024 2.9837 3.0798 3.1555 3.3629 3.3949 3.6740 3.7094 6.9252 6.9746 7.8864 8.0080 8.1494 8.2000 8.4163 8.5248 8.8108 8.8650 9.4961 9.5115 k =-0.2729 0.3863 0.6099 ( 11509 PWs) bands (ev): -8.2291 -8.2271 -8.1830 -8.1819 -8.1762 -8.1752 -8.0440 -8.0421 -4.4105 -4.4078 -4.3941 -4.3864 -3.7696 -3.7584 -3.7363 -3.7290 -3.7127 -3.7064 -0.4438 -0.4286 0.0044 0.0251 0.0925 0.1400 0.2123 0.2890 0.3725 0.4282 0.4439 0.4577 0.5975 0.6425 0.7136 0.7471 0.9374 1.0204 1.0977 1.1272 1.1987 1.3214 1.3918 1.4430 1.5570 1.6657 1.7915 1.9358 2.0660 2.1335 2.3107 2.3774 2.5726 2.6469 2.6896 2.8377 2.8833 2.9620 3.0882 3.1478 3.3605 3.3865 3.6786 3.7092 6.9446 6.9959 7.9237 8.0412 8.1298 8.1721 8.3998 8.5150 8.8014 8.8459 9.5027 9.5173 k =-0.2827 0.4003 0.5928 ( 11502 PWs) bands (ev): -8.2300 -8.2281 -8.1835 -8.1825 -8.1771 -8.1761 -8.0418 -8.0399 -4.4104 -4.4081 -4.3942 -4.3864 -3.7698 -3.7583 -3.7365 -3.7293 -3.7127 -3.7064 -0.4409 -0.4273 0.0054 0.0241 0.0974 0.1493 0.2044 0.2887 0.3743 0.4340 0.4461 0.4647 0.5925 0.6360 0.7165 0.7443 0.9350 1.0185 1.0970 1.1282 1.1963 1.3278 1.4036 1.4544 1.5618 1.6795 1.8102 1.9604 2.0401 2.1175 2.3034 2.3526 2.5805 2.6351 2.6997 2.8128 2.8705 2.9428 3.0960 3.1415 3.3590 3.3796 3.6824 3.7092 6.9600 7.0127 7.9545 8.0594 8.1175 8.1541 8.3876 8.5084 8.7963 8.8302 9.5078 9.5213 k =-0.2926 0.4143 0.5756 ( 11505 PWs) bands (ev): -8.2307 -8.2288 -8.1838 -8.1829 -8.1778 -8.1768 -8.0402 -8.0383 -4.4103 -4.4084 -4.3942 -4.3864 -3.7700 -3.7582 -3.7367 -3.7294 -3.7128 -3.7065 -0.4387 -0.4265 0.0062 0.0234 0.1008 0.1587 0.1963 0.2884 0.3757 0.4386 0.4476 0.4704 0.5889 0.6304 0.7194 0.7419 0.9331 1.0169 1.0964 1.1289 1.1946 1.3322 1.4130 1.4624 1.5653 1.6896 1.8268 1.9845 2.0183 2.1004 2.2991 2.3330 2.5877 2.6237 2.7124 2.7894 2.8632 2.9273 3.1024 3.1368 3.3580 3.3744 3.6852 3.7092 6.9713 7.0250 7.9780 8.0627 8.1071 8.1514 8.3791 8.5040 8.7950 8.8177 9.5119 9.5237 k =-0.3025 0.4282 0.5585 ( 11499 PWs) bands (ev): -8.2311 -8.2292 -8.1840 -8.1831 -8.1781 -8.1772 -8.0393 -8.0374 -4.4102 -4.4085 -4.3942 -4.3864 -3.7702 -3.7582 -3.7368 -3.7295 -3.7127 -3.7065 -0.4373 -0.4260 0.0067 0.0229 0.1028 0.1678 0.1880 0.2882 0.3765 0.4416 0.4484 0.4742 0.5867 0.6266 0.7216 0.7400 0.9319 1.0159 1.0960 1.1293 1.1936 1.3348 1.4192 1.4672 1.5675 1.6957 1.8390 1.9976 2.0116 2.0831 2.2970 2.3205 2.5935 2.6147 2.7267 2.7685 2.8601 2.9169 3.1066 3.1337 3.3577 3.3711 3.6869 3.7092 6.9781 7.0323 7.9932 8.0608 8.0973 8.1566 8.3741 8.5016 8.7967 8.8082 9.5148 9.5247 k =-0.3124 0.4422 0.5414 ( 11494 PWs) bands (ev): -8.2312 -8.2294 -8.1841 -8.1832 -8.1783 -8.1773 -8.0389 -8.0371 -4.4102 -4.4086 -4.3942 -4.3864 -3.7702 -3.7581 -3.7368 -3.7295 -3.7127 -3.7065 -0.4368 -0.4259 0.0069 0.0228 0.1035 0.1738 0.1823 0.2882 0.3767 0.4427 0.4486 0.4755 0.5860 0.6252 0.7225 0.7393 0.9315 1.0156 1.0959 1.1294 1.1933 1.3357 1.4213 1.4687 1.5683 1.6977 1.8436 1.9939 2.0205 2.0739 2.2964 2.3163 2.5962 2.6108 2.7373 2.7556 2.8593 2.9131 3.1081 3.1325 3.3576 3.3699 3.6875 3.7092 6.9804 7.0348 7.9986 8.0597 8.0933 8.1592 8.3724 8.5008 8.8000 8.8024 9.5159 9.5249 k =-0.3124 0.4422 0.5414 ( 11494 PWs) bands (ev): -8.2312 -8.2294 -8.1841 -8.1832 -8.1783 -8.1773 -8.0389 -8.0371 -4.4102 -4.4086 -4.3942 -4.3864 -3.7702 -3.7581 -3.7368 -3.7295 -3.7127 -3.7065 -0.4368 -0.4259 0.0069 0.0228 0.1035 0.1738 0.1823 0.2882 0.3767 0.4427 0.4486 0.4755 0.5860 0.6252 0.7225 0.7393 0.9315 1.0156 1.0959 1.1294 1.1933 1.3357 1.4213 1.4687 1.5683 1.6977 1.8436 1.9939 2.0205 2.0739 2.2964 2.3163 2.5962 2.6108 2.7373 2.7556 2.8593 2.9131 3.1081 3.1325 3.3576 3.3699 3.6875 3.7092 6.9804 7.0348 7.9986 8.0597 8.0933 8.1592 8.3724 8.5008 8.8000 8.8024 9.5159 9.5249 k =-0.3023 0.4280 0.5240 ( 11498 PWs) bands (ev): -8.2278 -8.2262 -8.1877 -8.1864 -8.1777 -8.1768 -8.0392 -8.0373 -4.4095 -4.4080 -4.3945 -4.3866 -3.7692 -3.7580 -3.7362 -3.7298 -3.7128 -3.7067 -0.4238 -0.4105 0.0126 0.0306 0.0998 0.1761 0.1839 0.2943 0.3707 0.4385 0.4579 0.4966 0.5842 0.6228 0.7282 0.7347 0.8940 1.0108 1.0743 1.1186 1.2028 1.3231 1.3948 1.4517 1.5527 1.6802 1.8371 1.9869 2.0168 2.0720 2.2884 2.3076 2.6005 2.6101 2.7619 2.7822 2.8523 2.8805 3.1414 3.1754 3.3521 3.3651 3.6825 3.7001 7.0013 7.0546 8.0141 8.0759 8.1171 8.1755 8.4155 8.5462 8.8789 8.8860 9.5866 9.5965 k =-0.2922 0.4137 0.5065 ( 11492 PWs) bands (ev): -8.2294 -8.2283 -8.1922 -8.1903 -8.1712 -8.1703 -8.0395 -8.0376 -4.4089 -4.4074 -4.3947 -4.3869 -3.7681 -3.7579 -3.7356 -3.7301 -3.7129 -3.7069 -0.4114 -0.3958 0.0189 0.0391 0.0970 0.1787 0.1863 0.3006 0.3644 0.4339 0.4666 0.5185 0.5829 0.6207 0.7280 0.7342 0.8577 1.0059 1.0521 1.1072 1.2141 1.3103 1.3684 1.4375 1.5366 1.6612 1.8309 1.9800 2.0158 2.0721 2.2806 2.2980 2.6041 2.6046 2.7655 2.7956 2.8671 2.8749 3.1762 3.2194 3.3441 3.3584 3.6744 3.6876 7.0181 7.0695 8.0315 8.0898 8.1399 8.1917 8.4570 8.5882 8.9533 8.9651 9.6452 9.6602 k =-0.2821 0.3994 0.4890 ( 11482 PWs) bands (ev): -8.2372 -8.2364 -8.1905 -8.1882 -8.1646 -8.1637 -8.0398 -8.0378 -4.4082 -4.4068 -4.3948 -4.3872 -3.7670 -3.7579 -3.7349 -3.7303 -3.7129 -3.7072 -0.4000 -0.3822 0.0258 0.0481 0.0950 0.1815 0.1897 0.3069 0.3580 0.4291 0.4742 0.5403 0.5820 0.6194 0.7179 0.7405 0.8241 1.0011 1.0298 1.0965 1.2253 1.2969 1.3424 1.4264 1.5208 1.6411 1.8252 1.9735 2.0169 2.0735 2.2731 2.2878 2.5920 2.6047 2.7624 2.7841 2.8871 2.9155 3.2118 3.2615 3.3360 3.3498 3.6628 3.6717 7.0298 7.0788 8.0510 8.1009 8.1617 8.2078 8.4969 8.6266 9.0206 9.0373 9.6856 9.7120 k =-0.2721 0.3852 0.4716 ( 11472 PWs) bands (ev): -8.2487 -8.2480 -8.1851 -8.1827 -8.1579 -8.1569 -8.0401 -8.0381 -4.4077 -4.4062 -4.3948 -4.3874 -3.7658 -3.7579 -3.7341 -3.7305 -3.7130 -3.7074 -0.3895 -0.3698 0.0331 0.0576 0.0941 0.1846 0.1940 0.3131 0.3518 0.4242 0.4805 0.5607 0.5815 0.6201 0.7031 0.7471 0.7954 0.9949 1.0095 1.0870 1.2355 1.2830 1.3168 1.4183 1.5058 1.6205 1.8202 1.9675 2.0198 2.0754 2.2660 2.2773 2.5719 2.5992 2.7652 2.7689 2.9227 2.9623 3.2470 3.2871 3.3398 3.3419 3.6477 3.6525 7.0360 7.0819 8.0727 8.1088 8.1820 8.2240 8.5352 8.6610 9.0778 9.0994 9.7006 9.7183 k =-0.2620 0.3709 0.4541 ( 11488 PWs) bands (ev): -8.2617 -8.2610 -8.1782 -8.1757 -8.1511 -8.1502 -8.0404 -8.0384 -4.4072 -4.4057 -4.3946 -4.3876 -3.7646 -3.7580 -3.7334 -3.7307 -3.7130 -3.7076 -0.3803 -0.3589 0.0409 0.0675 0.0943 0.1878 0.1995 0.3193 0.3456 0.4193 0.4856 0.5764 0.5812 0.6251 0.6828 0.7537 0.7730 0.9788 1.0003 1.0791 1.2438 1.2688 1.2916 1.4127 1.4925 1.5999 1.8159 1.9622 2.0241 2.0772 2.2592 2.2667 2.5461 2.5850 2.7627 2.7761 2.9637 3.0115 3.2781 3.2797 3.3314 3.3780 3.6291 3.6307 7.0360 7.0782 8.0957 8.1138 8.1999 8.2409 8.5723 8.6919 9.1216 9.1476 9.6739 9.6870 k =-0.2519 0.3566 0.4366 ( 11492 PWs) bands (ev): -8.2754 -8.2747 -8.1706 -8.1681 -8.1443 -8.1434 -8.0408 -8.0386 -4.4068 -4.4052 -4.3944 -4.3878 -3.7635 -3.7580 -3.7326 -3.7309 -3.7131 -3.7078 -0.3723 -0.3497 0.0490 0.0777 0.0958 0.1912 0.2060 0.3253 0.3397 0.4143 0.4897 0.5812 0.5843 0.6347 0.6604 0.7566 0.7602 0.9567 0.9990 1.0732 1.2499 1.2549 1.2670 1.4091 1.4816 1.5800 1.8126 1.9579 2.0295 2.0781 2.2527 2.2561 2.5175 2.5628 2.7675 2.7938 3.0074 3.0615 3.2593 3.2895 3.3393 3.4242 3.6070 3.6073 7.0292 7.0673 8.1082 8.1275 8.2133 8.2598 8.6086 8.7199 9.1483 9.1774 9.6312 9.6587 k =-0.2418 0.3424 0.4192 ( 11508 PWs) bands (ev): -8.2894 -8.2887 -8.1627 -8.1601 -8.1375 -8.1366 -8.0411 -8.0389 -4.4065 -4.4048 -4.3941 -4.3880 -3.7623 -3.7582 -3.7319 -3.7311 -3.7131 -3.7080 -0.3656 -0.3423 0.0573 0.0880 0.0987 0.1948 0.2136 0.3312 0.3339 0.4094 0.4930 0.5811 0.5859 0.6233 0.6612 0.7447 0.7660 0.9339 1.0008 1.0697 1.2416 1.2426 1.2538 1.4068 1.4737 1.5612 1.8102 1.9546 2.0354 2.0774 2.2456 2.2467 2.4884 2.5356 2.7809 2.8171 3.0529 3.1108 3.2337 3.2782 3.3650 3.4723 3.5818 3.5843 7.0153 7.0489 8.1037 8.1555 8.2206 8.2819 8.6449 8.7458 9.1547 9.1849 9.5921 9.6284 k =-0.2318 0.3281 0.4017 ( 11508 PWs) bands (ev): -8.3034 -8.3028 -8.1546 -8.1520 -8.1307 -8.1298 -8.0414 -8.0392 -4.4062 -4.4044 -4.3937 -4.3881 -3.7611 -3.7583 -3.7313 -3.7312 -3.7131 -3.7081 -0.3604 -0.3369 0.0655 0.0984 0.1031 0.1985 0.2222 0.3284 0.3369 0.4048 0.4960 0.5808 0.5835 0.5973 0.6763 0.7378 0.7705 0.9116 1.0056 1.0688 1.2191 1.2294 1.2550 1.4051 1.4692 1.5441 1.8089 1.9523 2.0418 2.0747 2.2352 2.2411 2.4604 2.5064 2.8006 2.8447 3.0991 3.1563 3.2049 3.2625 3.3885 3.5183 3.5565 3.5666 6.9941 7.0229 8.0926 8.1873 8.2210 8.3070 8.6817 8.7710 9.1392 9.1678 9.5570 9.5996 k =-0.2217 0.3138 0.3842 ( 11512 PWs) bands (ev): -8.3174 -8.3168 -8.1464 -8.1438 -8.1240 -8.1231 -8.0417 -8.0396 -4.4059 -4.4041 -4.3932 -4.3882 -3.7599 -3.7584 -3.7315 -3.7305 -3.7131 -3.7083 -0.3567 -0.3336 0.0735 0.1088 0.1089 0.2024 0.2316 0.3232 0.3423 0.4003 0.4990 0.5658 0.5803 0.5847 0.6851 0.7396 0.7734 0.8899 1.0133 1.0707 1.1962 1.2183 1.2542 1.4036 1.4679 1.5292 1.8085 1.9510 2.0481 2.0694 2.2249 2.2361 2.4345 2.4773 2.8246 2.8759 3.1390 3.1801 3.1857 3.2572 3.3989 3.5160 3.5624 3.5766 6.9654 6.9893 8.0755 8.2141 8.2219 8.3347 8.7196 8.7967 9.1029 9.1275 9.5259 9.5731 k =-0.2116 0.2996 0.3668 ( 11512 PWs) bands (ev): -8.3313 -8.3307 -8.1382 -8.1357 -8.1173 -8.1165 -8.0420 -8.0399 -4.4057 -4.4038 -4.3927 -4.3882 -3.7588 -3.7585 -3.7316 -3.7299 -3.7130 -3.7084 -0.3544 -0.3323 0.0814 0.1162 0.1190 0.2065 0.2416 0.3182 0.3474 0.3961 0.5023 0.5400 0.5796 0.5810 0.6832 0.7518 0.7740 0.8694 1.0241 1.0757 1.1740 1.2087 1.2521 1.4019 1.4695 1.5172 1.8091 1.9505 2.0541 2.0614 2.2147 2.2316 2.4116 2.4495 2.8519 2.9097 3.1260 3.1800 3.2057 3.2777 3.3948 3.4833 3.5767 3.6246 6.9292 6.9484 8.0527 8.1997 8.2591 8.3647 8.7588 8.8240 9.0489 9.0685 9.4989 9.5494 k =-0.2015 0.2853 0.3493 ( 11512 PWs) bands (ev): -8.3449 -8.3444 -8.1302 -8.1276 -8.1108 -8.1100 -8.0423 -8.0402 -4.4055 -4.4036 -4.3922 -4.3881 -3.7586 -3.7576 -3.7318 -3.7293 -3.7130 -3.7085 -0.3537 -0.3330 0.0891 0.1244 0.1291 0.2108 0.2517 0.3136 0.3521 0.3923 0.5057 0.5158 0.5777 0.5788 0.6753 0.7689 0.7722 0.8505 1.0376 1.0838 1.1525 1.2004 1.2497 1.3999 1.4734 1.5082 1.8107 1.9504 2.0509 2.0595 2.2046 2.2277 2.3921 2.4239 2.8815 2.9451 3.0887 3.1564 3.2525 3.2922 3.3964 3.4481 3.6049 3.6735 6.8858 6.9004 8.0243 8.1779 8.2986 8.3968 8.7989 8.8535 8.9814 8.9969 9.4763 9.5290 k =-0.1915 0.2710 0.3318 ( 11496 PWs) bands (ev): -8.3583 -8.3578 -8.1222 -8.1197 -8.1043 -8.1037 -8.0426 -8.0405 -4.4052 -4.4034 -4.3917 -4.3879 -3.7586 -3.7565 -3.7320 -3.7287 -3.7129 -3.7086 -0.3544 -0.3355 0.0967 0.1333 0.1389 0.2154 0.2614 0.3094 0.3563 0.3890 0.4942 0.5091 0.5744 0.5783 0.6650 0.7680 0.7865 0.8336 1.0534 1.0951 1.1318 1.1933 1.2478 1.3976 1.4792 1.5024 1.8131 1.9500 2.0388 2.0641 2.1946 2.2245 2.3761 2.4011 2.9126 2.9800 3.0470 3.1292 3.2730 3.2974 3.4152 3.4258 3.6403 3.7221 6.8356 6.8459 7.9909 8.1489 8.3402 8.4308 8.8359 8.8839 8.9059 8.9212 9.4584 9.5128 k =-0.1814 0.2568 0.3144 ( 11500 PWs) bands (ev): -8.3713 -8.3708 -8.1144 -8.1119 -8.0981 -8.0975 -8.0428 -8.0408 -4.4051 -4.4034 -4.3911 -4.3877 -3.7587 -3.7555 -3.7322 -3.7281 -3.7128 -3.7087 -0.3565 -0.3397 0.1045 0.1425 0.1485 0.2204 0.2703 0.3055 0.3598 0.3859 0.4759 0.5117 0.5712 0.5785 0.6539 0.7614 0.8031 0.8192 1.0709 1.1076 1.1136 1.1874 1.2472 1.3956 1.4864 1.4996 1.8161 1.9482 2.0262 2.0674 2.1847 2.2217 2.3634 2.3815 2.9437 3.0032 3.0073 3.1075 3.2336 3.3213 3.4033 3.4706 3.6789 3.7699 6.7791 6.7854 7.9532 8.1132 8.3834 8.4666 8.8158 8.8206 8.8991 8.9204 9.4461 9.5012 k =-0.1713 0.2425 0.2969 ( 11500 PWs) bands (ev): -8.3839 -8.3835 -8.1069 -8.1044 -8.0920 -8.0914 -8.0431 -8.0411 -4.4049 -4.4034 -4.3906 -4.3875 -3.7588 -3.7545 -3.7323 -3.7276 -3.7126 -3.7087 -0.3599 -0.3454 0.1124 0.1515 0.1578 0.2258 0.2776 0.3020 0.3625 0.3830 0.4614 0.5128 0.5682 0.5800 0.6428 0.7531 0.8075 0.8181 1.0889 1.0921 1.1270 1.1830 1.2487 1.3946 1.4946 1.4993 1.8198 1.9435 2.0152 2.0693 2.1752 2.2194 2.3539 2.3653 2.9506 2.9809 3.0088 3.1103 3.1859 3.3014 3.4360 3.5203 3.7190 3.8165 6.7168 6.7195 7.9120 8.0719 8.4271 8.5040 8.7347 8.7354 8.9368 8.9556 9.4399 9.4943 k =-0.1612 0.2282 0.2794 ( 11496 PWs) bands (ev): -8.3961 -8.3956 -8.0995 -8.0971 -8.0861 -8.0856 -8.0434 -8.0414 -4.4048 -4.4034 -4.3900 -4.3872 -3.7588 -3.7537 -3.7324 -3.7272 -3.7125 -3.7088 -0.3646 -0.3523 0.1206 0.1602 0.1667 0.2318 0.2831 0.2990 0.3640 0.3800 0.4515 0.5116 0.5657 0.5830 0.6320 0.7436 0.7987 0.8312 1.0740 1.1058 1.1458 1.1808 1.2528 1.3953 1.5011 1.5037 1.8239 1.9345 2.0078 2.0698 2.1659 2.2175 2.3470 2.3527 2.9046 2.9827 3.0071 3.1297 3.1436 3.2671 3.4859 3.5718 3.7597 3.8619 6.6489 6.6494 7.8680 8.0258 8.4673 8.5418 8.6485 8.6554 8.9784 8.9909 9.4410 9.4905 k =-0.1511 0.2140 0.2620 ( 11484 PWs) bands (ev): -8.4078 -8.4073 -8.0925 -8.0901 -8.0804 -8.0801 -8.0436 -8.0416 -4.4046 -4.4036 -4.3895 -4.3868 -3.7588 -3.7529 -3.7324 -3.7267 -3.7123 -3.7088 -0.3702 -0.3602 0.1289 0.1682 0.1751 0.2383 0.2865 0.2967 0.3638 0.3767 0.4463 0.5079 0.5639 0.5874 0.6218 0.7338 0.7928 0.8426 1.0570 1.1191 1.1659 1.1828 1.2600 1.3983 1.5045 1.5134 1.8284 1.9213 2.0040 2.0687 2.1571 2.2158 2.3425 2.3436 2.8547 2.9459 3.0288 3.0779 3.1792 3.2356 3.5402 3.6240 3.8004 3.9056 6.5745 6.5777 7.8220 7.9760 8.4839 8.5510 8.5927 8.6010 9.0185 9.0247 9.4502 9.4812 k =-0.1411 0.1997 0.2445 ( 11484 PWs) bands (ev): -8.4189 -8.4185 -8.0857 -8.0834 -8.0750 -8.0748 -8.0438 -8.0419 -4.4045 -4.4037 -4.3889 -4.3864 -3.7589 -3.7523 -3.7324 -3.7263 -3.7121 -3.7088 -0.3768 -0.3689 0.1373 0.1756 0.1831 0.2453 0.2880 0.2949 0.3618 0.3733 0.4450 0.5019 0.5632 0.5922 0.6125 0.7241 0.7899 0.8526 1.0412 1.1257 1.1864 1.1914 1.2708 1.4038 1.5092 1.5236 1.8330 1.9055 2.0026 2.0665 2.1485 2.2143 2.3375 2.3400 2.8036 2.9054 3.0216 3.0362 3.2168 3.2199 3.5963 3.6765 3.8408 3.9475 6.4968 6.5024 7.7751 7.9236 8.4380 8.4720 8.6127 8.6279 9.0553 9.0554 9.4600 9.4684 k =-0.1310 0.1854 0.2270 ( 11464 PWs) bands (ev): -8.4294 -8.4290 -8.0793 -8.0770 -8.0699 -8.0698 -8.0440 -8.0421 -4.4044 -4.4039 -4.3884 -4.3860 -3.7589 -3.7519 -3.7322 -3.7260 -3.7119 -3.7088 -0.3840 -0.3780 0.1457 0.1821 0.1905 0.2529 0.2879 0.2938 0.3581 0.3703 0.4458 0.4944 0.5640 0.5966 0.6043 0.7147 0.7902 0.8613 1.0269 1.1259 1.2059 1.2062 1.2855 1.4120 1.5151 1.5343 1.8378 1.8891 2.0020 2.0636 2.1398 2.2130 2.3343 2.3390 2.7520 2.8631 2.9644 3.0225 3.2183 3.2609 3.6536 3.7292 3.8805 3.9873 6.4169 6.4244 7.7278 7.8696 8.3653 8.3904 8.6554 8.6692 9.0815 9.0877 9.4336 9.4955 k =-0.1209 0.1712 0.2096 ( 11470 PWs) bands (ev): -8.4393 -8.4390 -8.0732 -8.0710 -8.0651 -8.0651 -8.0442 -8.0423 -4.4043 -4.4041 -4.3879 -4.3857 -3.7588 -3.7516 -3.7320 -3.7257 -3.7117 -3.7088 -0.3918 -0.3874 0.1541 0.1880 0.1972 0.2608 0.2865 0.2934 0.3536 0.3675 0.4472 0.4856 0.5665 0.5973 0.6000 0.7058 0.7936 0.8689 1.0143 1.1223 1.2234 1.2249 1.3038 1.4229 1.5217 1.5453 1.8427 1.8733 2.0010 2.0605 2.1308 2.2117 2.3333 2.3393 2.7004 2.8203 2.9072 2.9914 3.2365 3.3007 3.7116 3.7819 3.9193 4.0248 6.3354 6.3446 7.6812 7.8150 8.2903 8.3121 8.7049 8.7112 9.1025 9.1149 9.4060 9.5281 k =-0.1108 0.1569 0.1921 ( 11474 PWs) bands (ev): -8.4486 -8.4483 -8.0676 -8.0654 -8.0608 -8.0606 -8.0443 -8.0424 -4.4043 -4.4043 -4.3874 -4.3853 -3.7588 -3.7515 -3.7316 -3.7254 -3.7115 -3.7088 -0.3998 -0.3969 0.1622 0.1932 0.2030 0.2689 0.2843 0.2938 0.3492 0.3647 0.4478 0.4761 0.5706 0.5917 0.6020 0.6973 0.7999 0.8754 1.0037 1.1169 1.2417 1.2423 1.3256 1.4364 1.5291 1.5564 1.8477 1.8591 1.9988 2.0578 2.1210 2.2105 2.3339 2.3403 2.6495 2.7776 2.8508 2.9516 3.2629 3.3385 3.7701 3.8345 3.9569 4.0596 6.2533 6.2638 7.6358 7.7608 8.2183 8.2380 8.7531 8.7562 9.1186 9.1371 9.3784 9.5427 k =-0.1008 0.1427 0.1747 ( 11476 PWs) bands (ev): -8.4571 -8.4568 -8.0623 -8.0603 -8.0568 -8.0564 -8.0444 -8.0425 -4.4045 -4.4043 -4.3870 -4.3849 -3.7587 -3.7515 -3.7312 -3.7253 -3.7113 -3.7088 -0.4079 -0.4062 0.1701 0.1979 0.2081 0.2768 0.2814 0.2952 0.3452 0.3618 0.4472 0.4664 0.5749 0.5886 0.6025 0.6892 0.8084 0.8807 0.9956 1.1106 1.2585 1.2596 1.3500 1.4524 1.5369 1.5674 1.8473 1.8529 1.9948 2.0558 2.1104 2.2093 2.3356 2.3417 2.6000 2.7358 2.7960 2.9085 3.2926 3.3736 3.8287 3.8869 3.9933 4.0918 6.1714 6.1829 7.5924 7.7079 8.1506 8.1688 8.7946 8.8077 9.1302 9.1550 9.3512 9.5291 k =-0.0907 0.1284 0.1572 ( 11468 PWs) bands (ev): -8.4650 -8.4647 -8.0575 -8.0557 -8.0533 -8.0527 -8.0443 -8.0424 -4.4046 -4.4043 -4.3865 -4.3846 -3.7586 -3.7517 -3.7307 -3.7251 -3.7111 -3.7088 -0.4159 -0.4151 0.1777 0.2022 0.2122 0.2782 0.2839 0.2980 0.3418 0.3590 0.4452 0.4568 0.5762 0.5907 0.6019 0.6818 0.8184 0.8847 0.9903 1.1041 1.2736 1.2764 1.3765 1.4705 1.5453 1.5781 1.8383 1.8582 1.9888 2.0540 2.0991 2.2077 2.3376 2.3427 2.5532 2.6952 2.7440 2.8648 3.3230 3.4056 3.8868 3.9385 4.0284 4.1210 6.0907 6.1029 7.5516 7.6569 8.0883 8.1049 8.8350 8.8583 9.1382 9.1697 9.3248 9.5104 k =-0.0806 0.1141 0.1397 ( 11468 PWs) bands (ev): -8.4721 -8.4718 -8.0532 -8.0517 -8.0501 -8.0497 -8.0439 -8.0421 -4.4048 -4.4044 -4.3860 -4.3843 -3.7585 -3.7520 -3.7302 -3.7250 -3.7109 -3.7088 -0.4236 -0.4235 0.1847 0.2061 0.2155 0.2746 0.2894 0.3028 0.3387 0.3565 0.4422 0.4475 0.5746 0.5972 0.6002 0.6749 0.8289 0.8872 0.9880 1.0975 1.2876 1.2917 1.4046 1.4904 1.5540 1.5881 1.8325 1.8637 1.9804 2.0506 2.0891 2.2057 2.3387 2.3426 2.5101 2.6562 2.6965 2.8222 3.3528 3.4338 3.9440 3.9887 4.0620 4.1470 6.0124 6.0248 7.5141 7.6087 8.0317 8.0468 8.8740 8.9070 9.1434 9.1823 9.2994 9.4913 k =-0.0705 0.0999 0.1223 ( 11468 PWs) bands (ev): -8.4784 -8.4781 -8.0493 -8.0490 -8.0476 -8.0468 -8.0428 -8.0413 -4.4050 -4.4044 -4.3856 -4.3840 -3.7583 -3.7523 -3.7296 -3.7249 -3.7106 -3.7088 -0.4312 -0.4308 0.1911 0.2100 0.2179 0.2708 0.2933 0.3093 0.3358 0.3544 0.4382 0.4388 0.5727 0.5979 0.6048 0.6687 0.8392 0.8883 0.9889 1.0911 1.3003 1.3051 1.4339 1.5114 1.5633 1.5970 1.8299 1.8694 1.9698 2.0419 2.0839 2.2030 2.3377 2.3405 2.4729 2.6183 2.6557 2.7816 3.3812 3.4580 3.9994 4.0363 4.0946 4.1698 5.9375 5.9499 7.4803 7.5638 7.9813 7.9948 8.9113 8.9528 9.1464 9.1939 9.2751 9.4724 k =-0.0605 0.0856 0.1048 ( 11466 PWs) bands (ev): -8.4839 -8.4837 -8.0475 -8.0467 -8.0459 -8.0438 -8.0410 -8.0402 -4.4051 -4.4045 -4.3852 -4.3838 -3.7581 -3.7528 -3.7290 -3.7250 -3.7104 -3.7088 -0.4381 -0.4374 0.1969 0.2138 0.2195 0.2666 0.2966 0.3166 0.3331 0.3529 0.4310 0.4338 0.5713 0.5950 0.6123 0.6633 0.8487 0.8882 0.9925 1.0847 1.3115 1.3166 1.4642 1.5323 1.5737 1.6046 1.8306 1.8753 1.9572 2.0259 2.0854 2.1993 2.3324 2.3357 2.4441 2.5812 2.6239 2.7439 3.4076 3.4779 4.0518 4.0793 4.1270 4.1895 5.8675 5.8795 7.4509 7.5229 7.9373 7.9490 8.9465 8.9945 9.1475 9.2053 9.2526 9.4537 k =-0.0504 0.0713 0.0873 ( 11470 PWs) bands (ev): -8.4885 -8.4884 -8.0467 -8.0464 -8.0430 -8.0411 -8.0390 -8.0387 -4.4052 -4.4046 -4.3848 -4.3836 -3.7578 -3.7533 -3.7284 -3.7250 -3.7102 -3.7088 -0.4441 -0.4433 0.2020 0.2176 0.2205 0.2623 0.2996 0.3239 0.3303 0.3521 0.4241 0.4290 0.5705 0.5918 0.6192 0.6585 0.8570 0.8873 0.9983 1.0782 1.3212 1.3262 1.4948 1.5512 1.5862 1.6106 1.8341 1.8809 1.9431 2.0047 2.0916 2.1945 2.3215 2.3275 2.4260 2.5460 2.6017 2.7097 3.4317 3.4936 4.0999 4.1153 4.1601 4.2062 5.8038 5.8149 7.4261 7.4865 7.8999 7.9099 8.9795 9.0310 9.1472 9.2131 9.2362 9.4350 k =-0.0403 0.0571 0.0699 ( 11478 PWs) bands (ev): -8.4924 -8.4923 -8.0464 -8.0462 -8.0406 -8.0390 -8.0371 -8.0371 -4.4052 -4.4048 -4.3845 -4.3835 -3.7575 -3.7538 -3.7279 -3.7252 -3.7099 -3.7088 -0.4490 -0.4483 0.2064 0.2208 0.2216 0.2577 0.3025 0.3273 0.3308 0.3517 0.4184 0.4242 0.5704 0.5884 0.6253 0.6544 0.8639 0.8860 1.0057 1.0716 1.3293 1.3337 1.5247 1.5660 1.6016 1.6151 1.8399 1.8861 1.9286 1.9803 2.1007 2.1882 2.3066 2.3164 2.4177 2.5146 2.5880 2.6792 3.4533 3.5049 4.1414 4.1436 4.1929 4.2205 5.7482 5.7580 7.4065 7.4550 7.8694 7.8774 9.0103 9.0613 9.1456 9.2008 9.2431 9.4159 k =-0.0302 0.0428 0.0524 ( 11480 PWs) bands (ev): -8.4954 -8.4953 -8.0462 -8.0462 -8.0388 -8.0375 -8.0357 -8.0356 -4.4053 -4.4049 -4.3842 -4.3834 -3.7572 -3.7543 -3.7274 -3.7253 -3.7097 -3.7089 -0.4530 -0.4523 0.2101 0.2207 0.2257 0.2530 0.3056 0.3243 0.3370 0.3516 0.4141 0.4197 0.5709 0.5850 0.6305 0.6509 0.8695 0.8846 1.0141 1.0647 1.3358 1.3393 1.5525 1.5769 1.6177 1.6185 1.8474 1.8902 1.9153 1.9543 2.1117 2.1806 2.2916 2.3034 2.4163 2.4877 2.5819 2.6527 3.4719 3.5119 4.1654 4.1734 4.2223 4.2338 5.7026 5.7105 7.3922 7.4287 7.8457 7.8518 9.0388 9.0850 9.1429 9.1806 9.2614 9.3961 k =-0.0202 0.0285 0.0349 ( 11472 PWs) bands (ev): -8.4976 -8.4975 -8.0462 -8.0462 -8.0374 -8.0365 -8.0346 -8.0345 -4.4052 -4.4050 -4.3840 -4.3834 -3.7568 -3.7549 -3.7269 -3.7255 -3.7095 -3.7089 -0.4557 -0.4552 0.2131 0.2201 0.2300 0.2483 0.3086 0.3212 0.3422 0.3514 0.4113 0.4157 0.5720 0.5817 0.6349 0.6477 0.8738 0.8831 1.0230 1.0573 1.3406 1.3431 1.5754 1.5849 1.6220 1.6307 1.8566 1.8931 1.9051 1.9284 2.1240 2.1714 2.2802 2.2907 2.4193 2.4658 2.5821 2.6304 3.4875 3.5147 4.1820 4.1931 4.2451 4.2471 5.6688 5.6744 7.3836 7.4080 7.8291 7.8331 9.0653 9.1025 9.1391 9.1596 9.2833 9.3753 k =-0.0101 0.0143 0.0175 ( 11490 PWs) bands (ev): -8.4989 -8.4988 -8.0461 -8.0461 -8.0365 -8.0361 -8.0339 -8.0338 -4.4052 -4.4051 -4.3838 -4.3835 -3.7564 -3.7554 -3.7265 -3.7258 -3.7094 -3.7091 -0.4574 -0.4571 0.2156 0.2191 0.2344 0.2436 0.3117 0.3180 0.3462 0.3506 0.4100 0.4124 0.5737 0.5786 0.6385 0.6448 0.8770 0.8814 1.0320 1.0493 1.3437 1.3450 1.5892 1.5905 1.6279 1.6368 1.8681 1.8944 1.8990 1.9046 2.1367 2.1609 2.2742 2.2803 2.4256 2.4484 2.5876 2.6120 3.4997 3.5135 4.1937 4.2009 4.2585 4.2591 5.6483 5.6512 7.3809 7.3931 7.8195 7.8215 9.0899 9.1145 9.1341 9.1388 9.3068 9.3534 k = 0.0000 0.0000 0.0000 ( 11489 PWs) bands (ev): -8.4993 -8.4993 -8.0461 -8.0461 -8.0360 -8.0360 -8.0336 -8.0336 -4.4052 -4.4052 -4.3836 -4.3836 -3.7559 -3.7559 -3.7261 -3.7261 -3.7092 -3.7092 -0.4578 -0.4578 0.2176 0.2176 0.2389 0.2389 0.3149 0.3149 0.3490 0.3490 0.4105 0.4105 0.5760 0.5760 0.6418 0.6418 0.8794 0.8794 1.0409 1.0409 1.3452 1.3452 1.5929 1.5929 1.6348 1.6348 1.8835 1.8835 1.8965 1.8965 2.1492 2.1492 2.2744 2.2744 2.4352 2.4352 2.5977 2.5977 3.5085 3.5085 4.2004 4.2004 4.2634 4.2634 5.6424 5.6424 7.3840 7.3840 7.8169 7.8169 9.1116 9.1116 9.1288 9.1288 9.3304 9.3304 k = 0.0000 0.0000 0.0000 ( 11489 PWs) bands (ev): -8.4993 -8.4993 -8.0461 -8.0461 -8.0360 -8.0360 -8.0336 -8.0336 -4.4052 -4.4052 -4.3836 -4.3836 -3.7559 -3.7559 -3.7261 -3.7261 -3.7092 -3.7092 -0.4578 -0.4578 0.2176 0.2176 0.2389 0.2389 0.3149 0.3149 0.3490 0.3490 0.4105 0.4105 0.5760 0.5760 0.6418 0.6418 0.8794 0.8794 1.0409 1.0409 1.3452 1.3452 1.5929 1.5929 1.6348 1.6348 1.8835 1.8835 1.8965 1.8965 2.1492 2.1492 2.2744 2.2744 2.4352 2.4352 2.5977 2.5977 3.5085 3.5085 4.2004 4.2004 4.2634 4.2634 5.6424 5.6424 7.3840 7.3840 7.8169 7.8169 9.1116 9.1116 9.1288 9.1288 9.3304 9.3304 k = 0.0200 0.0141-0.0000 ( 11480 PWs) bands (ev): -8.4989 -8.4989 -8.0466 -8.0466 -8.0360 -8.0360 -8.0336 -8.0336 -4.4052 -4.4052 -4.3836 -4.3836 -3.7560 -3.7560 -3.7261 -3.7261 -3.7092 -3.7092 -0.4587 -0.4587 0.2174 0.2174 0.2368 0.2368 0.3145 0.3145 0.3498 0.3498 0.4105 0.4105 0.5751 0.5751 0.6439 0.6439 0.8810 0.8810 1.0407 1.0407 1.3451 1.3451 1.5936 1.5936 1.6347 1.6347 1.8847 1.8847 1.8979 1.8979 2.1508 2.1508 2.2751 2.2751 2.4354 2.4354 2.5982 2.5982 3.5066 3.5066 4.1956 4.1956 4.2616 4.2616 5.6485 5.6485 7.3846 7.3846 7.8183 7.8183 9.0998 9.0998 9.1228 9.1228 9.3183 9.3183 k = 0.0400 0.0283-0.0000 ( 11488 PWs) bands (ev): -8.4976 -8.4976 -8.0480 -8.0480 -8.0361 -8.0361 -8.0336 -8.0336 -4.4054 -4.4054 -4.3836 -4.3836 -3.7562 -3.7562 -3.7262 -3.7262 -3.7091 -3.7091 -0.4612 -0.4612 0.2169 0.2169 0.2305 0.2305 0.3132 0.3132 0.3517 0.3517 0.4106 0.4106 0.5732 0.5732 0.6494 0.6494 0.8856 0.8856 1.0404 1.0404 1.3447 1.3447 1.5955 1.5955 1.6342 1.6342 1.8884 1.8884 1.9020 1.9020 2.1555 2.1555 2.2771 2.2771 2.4360 2.4360 2.5999 2.5999 3.5010 3.5010 4.1816 4.1816 4.2560 4.2560 5.6666 5.6666 7.3864 7.3864 7.8225 7.8225 9.0683 9.0683 9.1019 9.1019 9.2834 9.2834 k = 0.0600 0.0424-0.0000 ( 11476 PWs) bands (ev): -8.4955 -8.4955 -8.0503 -8.0503 -8.0361 -8.0361 -8.0336 -8.0336 -4.4057 -4.4057 -4.3836 -4.3836 -3.7567 -3.7567 -3.7263 -3.7263 -3.7090 -3.7090 -0.4652 -0.4652 0.2158 0.2158 0.2212 0.2212 0.3110 0.3110 0.3538 0.3538 0.4114 0.4114 0.5712 0.5712 0.6569 0.6569 0.8936 0.8936 1.0398 1.0398 1.3441 1.3441 1.5986 1.5986 1.6336 1.6336 1.8946 1.8946 1.9089 1.9089 2.1632 2.1632 2.2802 2.2802 2.4371 2.4371 2.6027 2.6027 3.4918 3.4918 4.1594 4.1594 4.2468 4.2468 5.6958 5.6958 7.3895 7.3895 7.8294 7.8294 9.0215 9.0215 9.0645 9.0645 9.2296 9.2296 k = 0.0800 0.0565-0.0000 ( 11484 PWs) bands (ev): -8.4926 -8.4926 -8.0535 -8.0535 -8.0362 -8.0362 -8.0336 -8.0336 -4.4060 -4.4060 -4.3836 -4.3836 -3.7572 -3.7572 -3.7264 -3.7264 -3.7088 -3.7088 -0.4708 -0.4708 0.2087 0.2087 0.2152 0.2152 0.3079 0.3079 0.3550 0.3550 0.4131 0.4131 0.5701 0.5701 0.6649 0.6649 0.9053 0.9053 1.0390 1.0390 1.3432 1.3432 1.6028 1.6028 1.6329 1.6329 1.9030 1.9030 1.9183 1.9183 2.1738 2.1738 2.2842 2.2842 2.4385 2.4385 2.6069 2.6069 3.4790 3.4790 4.1300 4.1300 4.2340 4.2340 5.7346 5.7346 7.3941 7.3941 7.8388 7.8388 8.9624 8.9624 9.0121 9.0121 9.1617 9.1617 k = 0.1000 0.0706-0.0000 ( 11476 PWs) bands (ev): -8.4889 -8.4889 -8.0576 -8.0576 -8.0362 -8.0362 -8.0336 -8.0336 -4.4065 -4.4065 -4.3835 -4.3835 -3.7579 -3.7579 -3.7265 -3.7265 -3.7087 -3.7087 -0.4776 -0.4776 0.1952 0.1952 0.2136 0.2136 0.3040 0.3040 0.3547 0.3547 0.4161 0.4161 0.5702 0.5702 0.6721 0.6721 0.9208 0.9208 1.0381 1.0381 1.3422 1.3422 1.6077 1.6077 1.6325 1.6325 1.9135 1.9135 1.9303 1.9303 2.1872 2.1872 2.2886 2.2886 2.4405 2.4405 2.6127 2.6127 3.4628 3.4628 4.0949 4.0949 4.2177 4.2177 5.7815 5.7815 7.4003 7.4003 7.8508 7.8508 8.8938 8.8938 8.9470 8.9470 9.0836 9.0836 k = 0.1200 0.0848-0.0000 ( 11468 PWs) bands (ev): -8.4844 -8.4844 -8.0626 -8.0626 -8.0363 -8.0363 -8.0336 -8.0336 -4.4071 -4.4071 -4.3835 -4.3835 -3.7587 -3.7587 -3.7267 -3.7267 -3.7085 -3.7085 -0.4856 -0.4856 0.1804 0.1804 0.2119 0.2119 0.2992 0.2992 0.3529 0.3529 0.4204 0.4204 0.5717 0.5717 0.6780 0.6780 0.9402 0.9402 1.0373 1.0373 1.3413 1.3413 1.6124 1.6124 1.6333 1.6333 1.9261 1.9261 1.9445 1.9445 2.2029 2.2029 2.2926 2.2926 2.4432 2.4432 2.6203 2.6203 3.4435 3.4435 4.0554 4.0554 4.1980 4.1980 5.8347 5.8347 7.4085 7.4085 7.8650 7.8650 8.8180 8.8180 8.8722 8.8722 8.9988 8.9988 k = 0.1400 0.0989-0.0000 ( 11440 PWs) bands (ev): -8.4792 -8.4792 -8.0684 -8.0684 -8.0364 -8.0364 -8.0336 -8.0336 -4.4077 -4.4077 -4.3835 -4.3835 -3.7597 -3.7597 -3.7268 -3.7268 -3.7082 -3.7082 -0.4945 -0.4945 0.1649 0.1649 0.2101 0.2101 0.2937 0.2937 0.3497 0.3497 0.4255 0.4255 0.5745 0.5745 0.6822 0.6822 0.9628 0.9628 1.0369 1.0369 1.3402 1.3402 1.6156 1.6156 1.6368 1.6368 1.9405 1.9405 1.9609 1.9609 2.2209 2.2209 2.2956 2.2956 2.4472 2.4472 2.6298 2.6298 3.4213 3.4213 4.0128 4.0128 4.1751 4.1751 5.8926 5.8926 7.4190 7.4190 7.8813 7.8813 8.7372 8.7372 8.7906 8.7906 8.9098 8.9098 k = 0.1600 0.1130-0.0000 ( 11444 PWs) bands (ev): -8.4731 -8.4731 -8.0750 -8.0750 -8.0364 -8.0364 -8.0336 -8.0336 -4.4084 -4.4084 -4.3835 -4.3835 -3.7607 -3.7607 -3.7271 -3.7271 -3.7080 -3.7080 -0.5041 -0.5041 0.1490 0.1490 0.2080 0.2080 0.2876 0.2876 0.3458 0.3458 0.4310 0.4310 0.5784 0.5784 0.6847 0.6847 0.9873 0.9873 1.0382 1.0382 1.3393 1.3393 1.6164 1.6164 1.6436 1.6436 1.9564 1.9564 1.9792 1.9792 2.2407 2.2407 2.2967 2.2967 2.4530 2.4530 2.6411 2.6411 3.3966 3.3966 3.9682 3.9682 4.1493 4.1493 5.9536 5.9536 7.4320 7.4320 7.8995 7.8995 8.6535 8.6535 8.7048 8.7048 8.8183 8.8183 k = 0.1800 0.1271-0.0000 ( 11452 PWs) bands (ev): -8.4664 -8.4664 -8.0825 -8.0825 -8.0365 -8.0365 -8.0336 -8.0336 -4.4091 -4.4091 -4.3835 -4.3835 -3.7618 -3.7618 -3.7273 -3.7273 -3.7078 -3.7078 -0.5143 -0.5143 0.1330 0.1330 0.2057 0.2057 0.2809 0.2809 0.3414 0.3414 0.4366 0.4366 0.5831 0.5831 0.6857 0.6857 1.0083 1.0083 1.0459 1.0459 1.3385 1.3385 1.6157 1.6157 1.6530 1.6530 1.9737 1.9737 1.9991 1.9991 2.2619 2.2619 2.2954 2.2954 2.4610 2.4610 2.6542 2.6542 3.3698 3.3698 3.9224 3.9224 4.1208 4.1208 6.0163 6.0163 7.4481 7.4481 7.9194 7.9194 8.5685 8.5685 8.6171 8.6171 8.7260 8.7260 k = 0.2000 0.1413-0.0000 ( 11472 PWs) bands (ev): -8.4589 -8.4589 -8.0907 -8.0907 -8.0366 -8.0366 -8.0336 -8.0336 -4.4099 -4.4099 -4.3836 -4.3836 -3.7630 -3.7630 -3.7275 -3.7275 -3.7076 -3.7076 -0.5247 -0.5247 0.1170 0.1170 0.2033 0.2033 0.2739 0.2739 0.3367 0.3367 0.4421 0.4421 0.5884 0.5884 0.6855 0.6855 1.0172 1.0172 1.0680 1.0680 1.3380 1.3380 1.6143 1.6143 1.6640 1.6640 1.9919 1.9919 2.0202 2.0202 2.2813 2.2813 2.2941 2.2941 2.4716 2.4716 2.6689 2.6689 3.3412 3.3412 3.8763 3.8763 4.0899 4.0899 6.0791 6.0791 7.4676 7.4676 7.9407 7.9407 8.4835 8.4835 8.5292 8.5292 8.6340 8.6340 k = 0.2200 0.1554-0.0000 ( 11476 PWs) bands (ev): -8.4507 -8.4507 -8.0996 -8.0996 -8.0367 -8.0367 -8.0336 -8.0336 -4.4107 -4.4107 -4.3836 -4.3836 -3.7641 -3.7641 -3.7278 -3.7278 -3.7075 -3.7075 -0.5353 -0.5353 0.1013 0.1013 0.2010 0.2010 0.2668 0.2668 0.3319 0.3319 0.4473 0.4473 0.5942 0.5942 0.6842 0.6842 1.0186 1.0186 1.0995 1.0995 1.3383 1.3383 1.6126 1.6126 1.6762 1.6762 2.0109 2.0109 2.0421 2.0421 2.2803 2.2803 2.3112 2.3112 2.4846 2.4846 2.6850 2.6850 3.3115 3.3115 3.8305 3.8305 4.0569 4.0569 6.1409 6.1409 7.4909 7.4909 7.9633 7.9633 8.3999 8.3999 8.4424 8.4424 8.5435 8.5435 k = 0.2400 0.1695-0.0000 ( 11472 PWs) bands (ev): -8.4419 -8.4419 -8.1092 -8.1092 -8.0368 -8.0368 -8.0336 -8.0336 -4.4115 -4.4115 -4.3837 -4.3837 -3.7653 -3.7653 -3.7280 -3.7280 -3.7073 -3.7073 -0.5458 -0.5458 0.0861 0.0861 0.1987 0.1987 0.2595 0.2595 0.3273 0.3273 0.4521 0.4521 0.6002 0.6002 0.6823 0.6823 1.0178 1.0178 1.1344 1.1344 1.3394 1.3394 1.6109 1.6109 1.6892 1.6892 2.0303 2.0303 2.0641 2.0641 2.2706 2.2706 2.3353 2.3353 2.4998 2.4998 2.7021 2.7021 3.2810 3.2810 3.7855 3.7855 4.0220 4.0220 6.2003 6.2003 7.5184 7.5184 7.9867 7.9867 8.3188 8.3188 8.3580 8.3580 8.4553 8.4553 k = 0.2600 0.1837-0.0000 ( 11476 PWs) bands (ev): -8.4324 -8.4324 -8.1195 -8.1195 -8.0369 -8.0369 -8.0336 -8.0336 -4.4123 -4.4123 -4.3837 -4.3837 -3.7664 -3.7664 -3.7283 -3.7283 -3.7071 -3.7071 -0.5561 -0.5561 0.0715 0.0715 0.1964 0.1964 0.2523 0.2523 0.3227 0.3227 0.4565 0.4565 0.6062 0.6062 0.6800 0.6800 1.0163 1.0163 1.1700 1.1700 1.3423 1.3423 1.6092 1.6092 1.7029 1.7029 2.0496 2.0496 2.0852 2.0852 2.2591 2.2591 2.3602 2.3602 2.5166 2.5166 2.7199 2.7199 3.2506 3.2506 3.7418 3.7418 3.9856 3.9856 6.2565 6.2565 7.5503 7.5503 8.0107 8.0107 8.2413 8.2413 8.2767 8.2767 8.3703 8.3703 k = 0.2800 0.1978-0.0000 ( 11480 PWs) bands (ev): -8.4224 -8.4224 -8.1303 -8.1303 -8.0369 -8.0369 -8.0336 -8.0336 -4.4131 -4.4131 -4.3838 -4.3838 -3.7676 -3.7676 -3.7285 -3.7285 -3.7070 -3.7070 -0.5661 -0.5661 0.0577 0.0577 0.1943 0.1943 0.2453 0.2453 0.3184 0.3184 0.4604 0.4604 0.6121 0.6121 0.6773 0.6773 1.0144 1.0144 1.2044 1.2044 1.3480 1.3480 1.6076 1.6076 1.7170 1.7170 2.0683 2.0683 2.1038 2.1038 2.2477 2.2477 2.3853 2.3853 2.5345 2.5345 2.7379 2.7379 3.2206 3.2206 3.7000 3.7000 3.9480 3.9480 6.3086 6.3086 7.5866 7.5866 8.0343 8.0343 8.1690 8.1690 8.1995 8.1995 8.2893 8.2893 k = 0.3000 0.2119-0.0000 ( 11472 PWs) bands (ev): -8.4118 -8.4118 -8.1416 -8.1416 -8.0370 -8.0370 -8.0337 -8.0337 -4.4139 -4.4139 -4.3838 -4.3838 -3.7687 -3.7687 -3.7288 -3.7288 -3.7069 -3.7069 -0.5755 -0.5755 0.0447 0.0447 0.1924 0.1924 0.2386 0.2386 0.3143 0.3143 0.4639 0.4639 0.6177 0.6177 0.6746 0.6746 1.0125 1.0125 1.2349 1.2349 1.3587 1.3587 1.6061 1.6061 1.7312 1.7312 2.0852 2.0852 2.1178 2.1178 2.2398 2.2398 2.4103 2.4103 2.5531 2.5531 2.7557 2.7557 3.1917 3.1917 3.6605 3.6605 3.9097 3.9097 6.3558 6.3558 7.6271 7.6271 8.0509 8.0509 8.1090 8.1090 8.1268 8.1268 8.2132 8.2132 k = 0.3200 0.2260-0.0000 ( 11484 PWs) bands (ev): -8.4008 -8.4008 -8.1533 -8.1533 -8.0371 -8.0371 -8.0337 -8.0337 -4.4146 -4.4146 -4.3839 -4.3839 -3.7697 -3.7697 -3.7290 -3.7290 -3.7068 -3.7068 -0.5844 -0.5844 0.0326 0.0326 0.1907 0.1907 0.2321 0.2321 0.3105 0.3105 0.4670 0.4670 0.6229 0.6229 0.6719 0.6719 1.0106 1.0106 1.2585 1.2585 1.3769 1.3769 1.6047 1.6047 1.7452 1.7452 2.0969 2.0969 2.1264 2.1264 2.2389 2.2389 2.4348 2.4348 2.5718 2.5718 2.7727 2.7727 3.1645 3.1645 3.6238 3.6238 3.8709 3.8709 6.3977 6.3977 7.6712 7.6712 8.0206 8.0206 8.0592 8.0592 8.1005 8.1005 8.1442 8.1442 k = 0.3400 0.2402-0.0000 ( 11472 PWs) bands (ev): -8.3894 -8.3894 -8.1655 -8.1655 -8.0371 -8.0371 -8.0337 -8.0337 -4.4153 -4.4153 -4.3840 -4.3840 -3.7707 -3.7707 -3.7292 -3.7292 -3.7067 -3.7067 -0.5926 -0.5926 0.0217 0.0217 0.1893 0.1893 0.2260 0.2260 0.3071 0.3071 0.4696 0.4696 0.6276 0.6276 0.6695 0.6695 1.0087 1.0087 1.2740 1.2740 1.4037 1.4037 1.6036 1.6036 1.7589 1.7589 2.0956 2.0956 2.1358 2.1358 2.2465 2.2465 2.4586 2.4586 2.5901 2.5901 2.7884 2.7884 3.1395 3.1395 3.5906 3.5906 3.8322 3.8322 6.4343 6.4343 7.7178 7.7178 7.9664 7.9664 7.9974 7.9974 8.0732 8.0732 8.1307 8.1307 k = 0.3600 0.2543-0.0000 ( 11492 PWs) bands (ev): -8.3776 -8.3776 -8.1779 -8.1779 -8.0372 -8.0372 -8.0337 -8.0337 -4.4159 -4.4159 -4.3841 -4.3841 -3.7716 -3.7716 -3.7294 -3.7294 -3.7066 -3.7066 -0.6000 -0.6000 0.0118 0.0118 0.1882 0.1882 0.2203 0.2203 0.3040 0.3040 0.4719 0.4719 0.6315 0.6315 0.6674 0.6674 1.0070 1.0070 1.2829 1.2829 1.4366 1.4366 1.6027 1.6027 1.7718 1.7718 2.0809 2.0809 2.1486 2.1486 2.2598 2.2598 2.4811 2.4811 2.6076 2.6076 2.8022 2.8022 3.1172 3.1172 3.5614 3.5614 3.7940 3.7940 6.4655 6.4655 7.7653 7.7653 7.9151 7.9151 7.9418 7.9418 8.0157 8.0157 8.1592 8.1592 k = 0.3800 0.2684-0.0000 ( 11488 PWs) bands (ev): -8.3655 -8.3655 -8.1905 -8.1905 -8.0373 -8.0373 -8.0337 -8.0337 -4.4165 -4.4165 -4.3841 -4.3841 -3.7723 -3.7723 -3.7296 -3.7296 -3.7066 -3.7066 -0.6065 -0.6065 0.0031 0.0031 0.1874 0.1874 0.2149 0.2149 0.3012 0.3012 0.4739 0.4739 0.6347 0.6347 0.6658 0.6658 1.0055 1.0055 1.2880 1.2880 1.4727 1.4727 1.6020 1.6020 1.7837 1.7837 2.0592 2.0592 2.1619 2.1619 2.2755 2.2755 2.5022 2.5022 2.6239 2.6239 2.8138 2.8138 3.0978 3.0978 3.5370 3.5370 3.7570 3.7570 6.4915 6.4915 7.8109 7.8109 7.8698 7.8698 7.8932 7.8932 7.9641 7.9641 8.1926 8.1926 k = 0.4000 0.2826-0.0000 ( 11504 PWs) bands (ev): -8.3533 -8.3533 -8.2032 -8.2032 -8.0373 -8.0373 -8.0337 -8.0337 -4.4170 -4.4170 -4.3842 -4.3842 -3.7730 -3.7730 -3.7298 -3.7298 -3.7065 -3.7065 -0.6122 -0.6122 -0.0043 -0.0043 0.1870 0.1870 0.2101 0.2101 0.2989 0.2989 0.4754 0.4754 0.6371 0.6371 0.6647 0.6647 1.0041 1.0041 1.2908 1.2908 1.5093 1.5093 1.6017 1.6017 1.7942 1.7942 2.0344 2.0344 2.1739 2.1739 2.2911 2.2911 2.5212 2.5212 2.6385 2.6385 2.8228 2.8228 3.0816 3.0816 3.5179 3.5179 3.7217 3.7217 6.5127 6.5127 7.8285 7.8285 7.8408 7.8408 7.8657 7.8657 7.9204 7.9204 8.2307 8.2307 k = 0.4200 0.2967-0.0000 ( 11516 PWs) bands (ev): -8.3412 -8.3412 -8.2157 -8.2157 -8.0374 -8.0374 -8.0337 -8.0337 -4.4174 -4.4174 -4.3843 -4.3843 -3.7736 -3.7736 -3.7299 -3.7299 -3.7065 -3.7065 -0.6168 -0.6168 -0.0105 -0.0105 0.1870 0.1870 0.2057 0.2057 0.2970 0.2970 0.4767 0.4767 0.6387 0.6387 0.6642 0.6642 1.0030 1.0030 1.2925 1.2925 1.5440 1.5440 1.6021 1.6021 1.8029 1.8029 2.0088 2.0088 2.1842 2.1842 2.3052 2.3052 2.5377 2.5377 2.6511 2.6511 2.8295 2.8295 3.0685 3.0685 3.5044 3.5044 3.6891 3.6891 6.5293 6.5293 7.7976 7.7976 7.8111 7.8111 7.8763 7.8763 7.9039 7.9039 8.2741 8.2741 k = 0.4400 0.3108-0.0000 ( 11504 PWs) bands (ev): -8.3295 -8.3295 -8.2278 -8.2278 -8.0374 -8.0374 -8.0337 -8.0337 -4.4177 -4.4177 -4.3843 -4.3843 -3.7740 -3.7740 -3.7300 -3.7300 -3.7065 -3.7065 -0.6205 -0.6205 -0.0153 -0.0153 0.1875 0.1875 0.2018 0.2018 0.2955 0.2955 0.4776 0.4776 0.6397 0.6397 0.6641 0.6641 1.0021 1.0021 1.2935 1.2935 1.5731 1.5731 1.6055 1.6055 1.8094 1.8094 1.9845 1.9845 2.1925 2.1925 2.3170 2.3170 2.5513 2.5513 2.6615 2.6615 2.8340 2.8340 3.0584 3.0584 3.4963 3.4963 3.6603 3.6603 6.5419 6.5419 7.7729 7.7729 7.7834 7.7834 7.8505 7.8505 7.9310 7.9310 8.3233 8.3233 k = 0.4600 0.3249-0.0000 ( 11496 PWs) bands (ev): -8.3188 -8.3188 -8.2387 -8.2387 -8.0374 -8.0374 -8.0337 -8.0337 -4.4179 -4.4179 -4.3843 -4.3843 -3.7743 -3.7743 -3.7301 -3.7301 -3.7064 -3.7064 -0.6231 -0.6231 -0.0188 -0.0188 0.1883 0.1883 0.1985 0.1985 0.2944 0.2944 0.4783 0.4783 0.6402 0.6402 0.6642 0.6642 1.0015 1.0015 1.2941 1.2941 1.5884 1.5884 1.6172 1.6172 1.8135 1.8135 1.9640 1.9640 2.1986 2.1986 2.3259 2.3259 2.5614 2.5614 2.6692 2.6692 2.8367 2.8367 3.0512 3.0512 3.4929 3.4929 3.6371 3.6371 6.5506 6.5506 7.7555 7.7555 7.7627 7.7627 7.8298 7.8298 7.9529 7.9529 8.3777 8.3777 k = 0.4800 0.3391-0.0000 ( 11484 PWs) bands (ev): -8.3106 -8.3106 -8.2470 -8.2470 -8.0374 -8.0374 -8.0337 -8.0337 -4.4181 -4.4181 -4.3843 -4.3843 -3.7745 -3.7745 -3.7302 -3.7302 -3.7064 -3.7064 -0.6247 -0.6247 -0.0208 -0.0208 0.1894 0.1894 0.1960 0.1960 0.2938 0.2938 0.4787 0.4787 0.6404 0.6404 0.6644 0.6644 1.0011 1.0011 1.2943 1.2943 1.5924 1.5924 1.6318 1.6318 1.8154 1.8154 1.9501 1.9501 2.2023 2.2023 2.3313 2.3313 2.5676 2.5676 2.6739 2.6739 2.8382 2.8382 3.0468 3.0468 3.4923 3.4923 3.6215 3.6215 6.5557 6.5557 7.7456 7.7456 7.7496 7.7496 7.8172 7.8172 7.9663 7.9663 8.4342 8.4342 k = 0.5000 0.3532-0.0000 ( 11480 PWs) bands (ev): -8.3074 -8.3074 -8.2503 -8.2503 -8.0374 -8.0374 -8.0337 -8.0337 -4.4181 -4.4181 -4.3843 -4.3843 -3.7746 -3.7746 -3.7302 -3.7302 -3.7064 -3.7064 -0.6253 -0.6253 -0.0215 -0.0215 0.1900 0.1900 0.1949 0.1949 0.2936 0.2936 0.4789 0.4789 0.6405 0.6405 0.6644 0.6644 1.0010 1.0010 1.2944 1.2944 1.5931 1.5931 1.6377 1.6377 1.8159 1.8159 1.9451 1.9451 2.2035 2.2035 2.3332 2.3332 2.5697 2.5697 2.6755 2.6755 2.8386 2.8386 3.0453 3.0453 3.4925 3.4925 3.6159 3.6159 6.5573 6.5573 7.7428 7.7428 7.7447 7.7447 7.8130 7.8130 7.9708 7.9708 8.4708 8.4708 k = 0.5000 0.3532-0.0000 ( 11480 PWs) bands (ev): -8.3074 -8.3074 -8.2503 -8.2503 -8.0374 -8.0374 -8.0337 -8.0337 -4.4181 -4.4181 -4.3843 -4.3843 -3.7746 -3.7746 -3.7302 -3.7302 -3.7064 -3.7064 -0.6253 -0.6253 -0.0215 -0.0215 0.1900 0.1900 0.1949 0.1949 0.2936 0.2936 0.4789 0.4789 0.6405 0.6405 0.6644 0.6644 1.0010 1.0010 1.2944 1.2944 1.5931 1.5931 1.6377 1.6377 1.8159 1.8159 1.9451 1.9451 2.2035 2.2035 2.3332 2.3332 2.5697 2.5697 2.6755 2.6755 2.8386 2.8386 3.0453 3.0453 3.4925 3.4925 3.6159 3.6159 6.5573 6.5573 7.7428 7.7428 7.7447 7.7447 7.8130 7.8130 7.9708 7.9708 8.4708 8.4708 k = 0.4901 0.3672 0.0171 ( 11488 PWs) bands (ev): -8.3072 -8.3070 -8.2502 -8.2501 -8.0378 -8.0376 -8.0340 -8.0339 -4.4183 -4.4179 -4.3846 -4.3841 -3.7753 -3.7738 -3.7307 -3.7296 -3.7068 -3.7061 -0.6249 -0.6243 -0.0215 -0.0215 0.1875 0.1916 0.1919 0.1984 0.2935 0.2945 0.4775 0.4798 0.6394 0.6416 0.6583 0.6713 1.0004 1.0018 1.2931 1.2945 1.5877 1.5936 1.6340 1.6429 1.8104 1.8188 1.9353 1.9559 2.2018 2.2063 2.3248 2.3397 2.5670 2.5702 2.6744 2.6764 2.8265 2.8510 3.0269 3.0667 3.4848 3.4988 3.6150 3.6158 6.5569 6.5618 7.7440 7.7448 7.7463 7.7485 7.8122 7.8185 7.9678 7.9756 8.4708 8.4799 k = 0.4802 0.3811 0.0342 ( 11494 PWs) bands (ev): -8.3065 -8.3062 -8.2496 -8.2495 -8.0388 -8.0384 -8.0345 -8.0344 -4.4183 -4.4176 -4.3849 -4.3839 -3.7758 -3.7730 -3.7314 -3.7292 -3.7072 -3.7058 -0.6230 -0.6219 -0.0216 -0.0215 0.1845 0.1893 0.1926 0.2023 0.2942 0.2963 0.4759 0.4805 0.6386 0.6423 0.6533 0.6785 1.0003 1.0029 1.2907 1.2933 1.5769 1.5903 1.6320 1.6482 1.8023 1.8190 1.9265 1.9675 2.2011 2.2101 2.3152 2.3437 2.5617 2.5692 2.6728 2.6768 2.8157 2.8626 3.0128 3.0900 3.4759 3.5036 3.6133 3.6152 6.5605 6.5703 7.7483 7.7483 7.7546 7.7578 7.8163 7.8287 7.9665 7.9826 8.4798 8.4982 k = 0.4704 0.3951 0.0513 ( 11514 PWs) bands (ev): -8.3053 -8.3049 -8.2486 -8.2484 -8.0407 -8.0402 -8.0349 -8.0349 -4.4184 -4.4173 -4.3853 -4.3838 -3.7763 -3.7721 -3.7320 -3.7287 -3.7077 -3.7055 -0.6198 -0.6182 -0.0216 -0.0215 0.1813 0.1865 0.1930 0.2065 0.2959 0.2989 0.4737 0.4808 0.6381 0.6408 0.6512 0.6860 1.0005 1.0043 1.2871 1.2911 1.5613 1.5841 1.6313 1.6528 1.7917 1.8168 1.9188 1.9797 2.2011 2.2149 2.3048 2.3448 2.5540 2.5682 2.6705 2.6767 2.8067 2.8717 3.0044 3.1146 3.4652 3.5059 3.6114 3.6149 6.5681 6.5827 7.7544 7.7551 7.7682 7.7729 7.8254 7.8434 7.9669 7.9917 8.4978 8.5254 k = 0.4605 0.4091 0.0685 ( 11516 PWs) bands (ev): -8.3036 -8.3030 -8.2472 -8.2469 -8.0437 -8.0432 -8.0353 -8.0352 -4.4183 -4.4170 -4.3857 -4.3838 -3.7767 -3.7712 -3.7327 -3.7283 -3.7082 -3.7053 -0.6152 -0.6132 -0.0217 -0.0215 0.1781 0.1835 0.1931 0.2109 0.2984 0.3024 0.4713 0.4808 0.6369 0.6378 0.6524 0.6936 1.0014 1.0060 1.2823 1.2876 1.5417 1.5756 1.6313 1.6564 1.7789 1.8123 1.9121 1.9921 2.2013 2.2202 2.2943 2.3427 2.5441 2.5682 2.6671 2.6756 2.8001 2.8774 3.0028 3.1396 3.4519 3.5045 3.6100 3.6162 6.5796 6.5987 7.7631 7.7645 7.7861 7.7936 7.8400 7.8626 7.9691 8.0032 8.5244 8.5614 k = 0.4506 0.4231 0.0856 ( 11498 PWs) bands (ev): -8.3014 -8.3007 -8.2453 -8.2450 -8.0477 -8.0472 -8.0356 -8.0353 -4.4181 -4.4165 -4.3862 -4.3838 -3.7769 -3.7701 -3.7333 -3.7280 -3.7086 -3.7052 -0.6092 -0.6069 -0.0217 -0.0213 0.1750 0.1803 0.1928 0.2154 0.3020 0.3068 0.4684 0.4805 0.6324 0.6377 0.6550 0.7012 1.0029 1.0080 1.2764 1.2830 1.5187 1.5648 1.6315 1.6588 1.7639 1.8059 1.9064 2.0042 2.2012 2.2249 2.2851 2.3377 2.5328 2.5700 2.6627 2.6735 2.7962 2.8800 3.0074 3.1647 3.4355 3.4987 3.6099 3.6201 6.5946 6.6183 7.7743 7.7762 7.8073 7.8195 7.8606 7.8860 7.9734 8.0175 8.5592 8.6060 k = 0.4407 0.4371 0.1027 ( 11498 PWs) bands (ev): -8.2987 -8.2979 -8.2431 -8.2428 -8.0526 -8.0521 -8.0359 -8.0354 -4.4179 -4.4161 -4.3867 -4.3838 -3.7770 -3.7690 -3.7340 -3.7277 -3.7091 -3.7050 -0.6020 -0.5994 -0.0216 -0.0209 0.1716 0.1771 0.1923 0.2200 0.3065 0.3120 0.4651 0.4799 0.6279 0.6378 0.6583 0.7085 1.0053 1.0103 1.2692 1.2771 1.4928 1.5520 1.6314 1.6596 1.7470 1.7982 1.9015 2.0155 2.1996 2.2261 2.2802 2.3310 2.5206 2.5737 2.6571 2.6704 2.7953 2.8809 3.0161 3.1894 3.4154 3.4885 3.6116 3.6268 6.6131 6.6410 7.7876 7.7904 7.8302 7.8496 7.8871 7.9137 7.9810 8.0349 8.6017 8.6589 k = 0.4309 0.4510 0.1198 ( 11476 PWs) bands (ev): -8.2955 -8.2946 -8.2405 -8.2401 -8.0585 -8.0579 -8.0361 -8.0354 -4.4176 -4.4156 -4.3873 -4.3838 -3.7770 -3.7679 -3.7346 -3.7275 -3.7096 -3.7050 -0.5934 -0.5907 -0.0214 -0.0203 0.1678 0.1742 0.1915 0.2246 0.3121 0.3180 0.4614 0.4790 0.6236 0.6379 0.6621 0.7156 1.0088 1.0129 1.2608 1.2701 1.4643 1.5374 1.6310 1.6586 1.7284 1.7897 1.8975 2.0253 2.1953 2.2209 2.2828 2.3243 2.5084 2.5790 2.6508 2.6663 2.7978 2.8822 3.0264 3.2132 3.3915 3.4747 3.6155 3.6359 6.6346 6.6665 7.8031 7.8067 7.8535 7.8830 7.9181 7.9453 7.9942 8.0562 8.6509 8.7038 k = 0.4210 0.4650 0.1369 ( 11472 PWs) bands (ev): -8.2919 -8.2908 -8.2375 -8.2371 -8.0651 -8.0646 -8.0363 -8.0355 -4.4172 -4.4150 -4.3879 -4.3839 -3.7770 -3.7667 -3.7353 -3.7274 -3.7101 -3.7049 -0.5837 -0.5810 -0.0210 -0.0195 0.1634 0.1718 0.1905 0.2293 0.3188 0.3247 0.4571 0.4777 0.6194 0.6381 0.6663 0.7221 1.0134 1.0156 1.2511 1.2619 1.4336 1.5212 1.6298 1.6551 1.7087 1.7812 1.8939 2.0332 2.1871 2.2098 2.2920 2.3196 2.4970 2.5848 2.6442 2.6614 2.8041 2.8851 3.0361 3.2357 3.3639 3.4586 3.6213 3.6466 6.6588 6.6945 7.8204 7.8251 7.8760 7.9177 7.9494 7.9807 8.0182 8.0828 8.7058 8.7572 k = 0.4111 0.4790 0.1540 ( 11486 PWs) bands (ev): -8.2878 -8.2866 -8.2342 -8.2337 -8.0726 -8.0721 -8.0365 -8.0356 -4.4168 -4.4145 -4.3885 -4.3841 -3.7768 -3.7656 -3.7359 -3.7274 -3.7105 -3.7050 -0.5728 -0.5703 -0.0205 -0.0183 0.1583 0.1700 0.1894 0.2341 0.3266 0.3322 0.4525 0.4761 0.6155 0.6382 0.6708 0.7278 1.0184 1.0190 1.2399 1.2524 1.4013 1.5036 1.6274 1.6487 1.6884 1.7735 1.8907 2.0386 2.1746 2.1954 2.3048 2.3178 2.4878 2.5902 2.6382 2.6561 2.8145 2.8903 3.0436 3.2561 3.3338 3.4416 3.6287 3.6581 6.6854 6.7247 7.8392 7.8454 7.8963 7.9518 7.9777 8.0196 8.0572 8.1163 8.7653 8.8197 k = 0.4012 0.4930 0.1712 ( 11498 PWs) bands (ev): -8.2833 -8.2820 -8.2305 -8.2299 -8.0809 -8.0803 -8.0367 -8.0357 -4.4164 -4.4140 -4.3892 -4.3842 -3.7765 -3.7645 -3.7365 -3.7274 -3.7109 -3.7050 -0.5609 -0.5587 -0.0197 -0.0168 0.1529 0.1687 0.1881 0.2389 0.3357 0.3404 0.4475 0.4741 0.6118 0.6381 0.6755 0.7327 1.0211 1.0259 1.2273 1.2419 1.3681 1.4850 1.6224 1.6390 1.6688 1.7671 1.8876 2.0415 2.1583 2.1794 2.3182 2.3190 2.4825 2.5941 2.6338 2.6507 2.8292 2.8983 3.0472 3.2699 3.3055 3.4252 3.6373 3.6698 6.7140 6.7564 7.8591 7.8673 7.9132 7.9831 8.0059 8.0616 8.1089 8.1583 8.8286 8.8793 k = 0.3914 0.5070 0.1883 ( 11492 PWs) bands (ev): -8.2785 -8.2770 -8.2264 -8.2258 -8.0899 -8.0892 -8.0369 -8.0358 -4.4158 -4.4134 -4.3898 -4.3844 -3.7762 -3.7634 -3.7369 -3.7275 -3.7113 -3.7051 -0.5480 -0.5464 -0.0185 -0.0147 0.1472 0.1678 0.1868 0.2439 0.3460 0.3491 0.4424 0.4719 0.6082 0.6378 0.6805 0.7369 1.0237 1.0335 1.2129 1.2302 1.3348 1.4660 1.6126 1.6260 1.6523 1.7620 1.8844 2.0417 2.1395 2.1630 2.3223 2.3293 2.4835 2.5956 2.6325 2.6455 2.8483 2.9091 3.0460 3.2531 3.3036 3.4106 3.6465 3.6812 6.7441 6.7894 7.8798 7.8907 7.9268 8.0107 8.0375 8.1063 8.1695 8.2092 8.8957 8.9402 k = 0.3815 0.5209 0.2054 ( 11498 PWs) bands (ev): -8.2732 -8.2717 -8.2221 -8.2214 -8.0995 -8.0989 -8.0372 -8.0359 -4.4152 -4.4128 -4.3905 -4.3846 -3.7757 -3.7624 -3.7373 -3.7277 -3.7116 -3.7052 -0.5342 -0.5335 -0.0170 -0.0122 0.1412 0.1673 0.1854 0.2490 0.3576 0.3582 0.4371 0.4693 0.6048 0.6373 0.6855 0.7401 1.0257 1.0415 1.1966 1.2173 1.3024 1.4467 1.5961 1.6101 1.6408 1.7578 1.8809 2.0394 2.1195 2.1468 2.3264 2.3358 2.4928 2.5945 2.6352 2.6410 2.8715 2.9224 3.0393 3.2170 3.3169 3.3986 3.6559 3.6917 6.7753 6.8232 7.9005 7.9152 7.9386 8.0348 8.0731 8.1533 8.2367 8.2682 8.9665 9.0052 k = 0.3716 0.5349 0.2225 ( 11500 PWs) bands (ev): -8.2676 -8.2659 -8.2174 -8.2167 -8.1097 -8.1091 -8.0374 -8.0360 -4.4146 -4.4122 -4.3911 -4.3849 -3.7751 -3.7615 -3.7376 -3.7279 -3.7119 -3.7054 -0.5200 -0.5197 -0.0151 -0.0091 0.1353 0.1672 0.1841 0.2542 0.3673 0.3704 0.4320 0.4665 0.6016 0.6364 0.6907 0.7424 1.0272 1.0484 1.1786 1.2033 1.2723 1.4278 1.5746 1.5917 1.6325 1.7538 1.8770 2.0351 2.0995 2.1313 2.3303 2.3369 2.5105 2.5921 2.6375 2.6417 2.8983 2.9373 3.0277 3.1774 3.3300 3.3897 3.6649 3.7009 6.8070 6.8571 7.9200 7.9405 7.9507 8.0562 8.1120 8.2021 8.3091 8.3341 9.0407 9.0739 k = 0.3617 0.5489 0.2396 ( 11498 PWs) bands (ev): -8.2617 -8.2599 -8.2125 -8.2117 -8.1205 -8.1199 -8.0376 -8.0362 -4.4139 -4.4116 -4.3918 -4.3851 -3.7745 -3.7606 -3.7378 -3.7281 -3.7121 -3.7055 -0.5062 -0.5046 -0.0127 -0.0055 0.1293 0.1674 0.1829 0.2595 0.3759 0.3846 0.4277 0.4634 0.5985 0.6352 0.6959 0.7440 1.0278 1.0518 1.1604 1.1882 1.2456 1.4096 1.5506 1.5717 1.6249 1.7493 1.8726 2.0292 2.0805 2.1171 2.3331 2.3337 2.5349 2.5898 2.6359 2.6519 2.9278 2.9510 3.0144 3.1368 3.3412 3.3837 3.6731 3.7084 6.8388 6.8908 7.9365 7.9654 7.9663 8.0756 8.1534 8.2523 8.3858 8.4054 9.1178 9.1458 k = 0.3519 0.5629 0.2567 ( 11496 PWs) bands (ev): -8.2555 -8.2537 -8.2072 -8.2065 -8.1318 -8.1311 -8.0379 -8.0363 -4.4131 -4.4110 -4.3924 -4.3853 -3.7738 -3.7599 -3.7379 -3.7284 -3.7123 -3.7057 -0.4921 -0.4891 -0.0099 -0.0012 0.1235 0.1680 0.1820 0.2650 0.3828 0.3999 0.4253 0.4602 0.5956 0.6337 0.7012 0.7448 1.0274 1.0469 1.1463 1.1718 1.2232 1.3925 1.5255 1.5507 1.6165 1.7435 1.8677 2.0223 2.0632 2.1044 2.3278 2.3339 2.5623 2.5884 2.6378 2.6657 2.9531 2.9584 3.0106 3.0971 3.3501 3.3799 3.6800 3.7138 6.8703 6.9237 7.9497 7.9834 7.9924 8.0935 8.1964 8.3032 8.4660 8.4808 9.1974 9.2203 k = 0.3420 0.5769 0.2739 ( 11484 PWs) bands (ev): -8.2492 -8.2473 -8.2018 -8.2010 -8.1434 -8.1427 -8.0381 -8.0365 -4.4124 -4.4104 -4.3929 -4.3856 -3.7730 -3.7592 -3.7378 -3.7287 -3.7124 -3.7059 -0.4780 -0.4733 -0.0065 0.0038 0.1179 0.1690 0.1814 0.2706 0.3863 0.4165 0.4264 0.4568 0.5928 0.6319 0.7064 0.7448 1.0260 1.0295 1.1404 1.1544 1.2052 1.3765 1.4997 1.5292 1.6068 1.7357 1.8622 2.0151 2.0483 2.0935 2.3205 2.3326 2.5870 2.5883 2.6474 2.6832 2.9359 2.9842 3.0251 3.0645 3.3562 3.3774 3.6853 3.7169 6.9007 6.9552 7.9613 8.0031 8.0184 8.1106 8.2404 8.3542 8.5488 8.5592 9.2784 9.2966 k = 0.3321 0.5908 0.2910 ( 11486 PWs) bands (ev): -8.2428 -8.2409 -8.1961 -8.1952 -8.1553 -8.1545 -8.0384 -8.0367 -4.4117 -4.4098 -4.3934 -4.3858 -3.7721 -3.7588 -3.7376 -3.7290 -3.7125 -3.7061 -0.4640 -0.4573 -0.0026 0.0095 0.1126 0.1703 0.1811 0.2763 0.3856 0.4316 0.4336 0.4537 0.5903 0.6298 0.7117 0.7440 1.0015 1.0234 1.1359 1.1397 1.1929 1.3619 1.4737 1.5080 1.5954 1.7255 1.8563 2.0078 2.0361 2.0846 2.3126 2.3291 2.5897 2.6019 2.6702 2.7044 2.9098 2.9812 3.0491 3.0631 3.3596 3.3755 3.6885 3.7173 6.9296 6.9846 7.9728 8.0229 8.0440 8.1271 8.2848 8.4046 8.6332 8.6393 9.3597 9.3737 k = 0.3222 0.6048 0.3081 ( 11486 PWs) bands (ev): -8.2367 -8.2347 -8.1902 -8.1893 -8.1671 -8.1662 -8.0387 -8.0369 -4.4109 -4.4092 -4.3939 -4.3861 -3.7712 -3.7584 -3.7372 -3.7293 -3.7126 -3.7063 -0.4502 -0.4415 0.0018 0.0158 0.1078 0.1719 0.1814 0.2822 0.3820 0.4396 0.4449 0.4574 0.5880 0.6276 0.7170 0.7422 0.9678 1.0199 1.1164 1.1372 1.1888 1.3484 1.4475 1.4876 1.5825 1.7128 1.8500 2.0008 2.0268 2.0781 2.3045 2.3235 2.5924 2.6084 2.7030 2.7289 2.8823 2.9495 3.0773 3.0935 3.3601 3.3732 3.6893 3.7148 6.9564 7.0114 7.9850 8.0420 8.0690 8.1432 8.3290 8.4537 8.7182 8.7201 9.4396 9.4504 k = 0.3124 0.6188 0.3252 ( 11494 PWs) bands (ev): -8.2312 -8.2294 -8.1841 -8.1832 -8.1783 -8.1773 -8.0389 -8.0371 -4.4102 -4.4086 -4.3942 -4.3864 -3.7702 -3.7581 -3.7368 -3.7295 -3.7127 -3.7065 -0.4368 -0.4259 0.0069 0.0228 0.1035 0.1738 0.1823 0.2882 0.3767 0.4427 0.4486 0.4755 0.5860 0.6252 0.7225 0.7393 0.9315 1.0156 1.0959 1.1294 1.1933 1.3357 1.4213 1.4687 1.5683 1.6977 1.8436 1.9939 2.0205 2.0739 2.2964 2.3163 2.5962 2.6108 2.7373 2.7556 2.8593 2.9131 3.1081 3.1325 3.3576 3.3699 3.6875 3.7092 6.9804 7.0348 7.9986 8.0597 8.0933 8.1592 8.3724 8.5008 8.8000 8.8024 9.5159 9.5249 k = 0.3124 0.6188 0.3252 ( 11494 PWs) bands (ev): -8.2312 -8.2294 -8.1841 -8.1832 -8.1783 -8.1773 -8.0389 -8.0371 -4.4102 -4.4086 -4.3942 -4.3864 -3.7702 -3.7581 -3.7368 -3.7295 -3.7127 -3.7065 -0.4368 -0.4259 0.0069 0.0228 0.1035 0.1738 0.1823 0.2882 0.3767 0.4427 0.4486 0.4755 0.5860 0.6252 0.7225 0.7393 0.9315 1.0156 1.0959 1.1294 1.1933 1.3357 1.4213 1.4687 1.5683 1.6977 1.8436 1.9939 2.0205 2.0739 2.2964 2.3163 2.5962 2.6108 2.7373 2.7556 2.8593 2.9131 3.1081 3.1325 3.3576 3.3699 3.6875 3.7092 6.9804 7.0348 7.9986 8.0597 8.0933 8.1592 8.3724 8.5008 8.8000 8.8024 9.5159 9.5249 k = 0.2901 0.6125 0.3329 ( 11503 PWs) bands (ev): -8.2306 -8.2288 -8.1850 -8.1844 -8.1774 -8.1767 -8.0392 -8.0373 -4.4099 -4.4083 -4.3944 -4.3865 -3.7697 -3.7581 -3.7365 -3.7297 -3.7128 -3.7066 -0.4307 -0.4188 0.0095 0.0265 0.1019 0.1745 0.1838 0.2911 0.3740 0.4395 0.4541 0.4852 0.5851 0.6240 0.7244 0.7374 0.9138 1.0129 1.0858 1.1249 1.1970 1.3295 1.4082 1.4593 1.5645 1.6902 1.8408 1.9891 2.0198 2.0723 2.2794 2.3242 2.5987 2.6127 2.7507 2.7682 2.8538 2.9000 3.1235 3.1507 3.3474 3.3690 3.6871 3.7082 6.9898 7.0434 8.0043 8.0679 8.1072 8.1680 8.3904 8.5185 8.8336 8.8496 9.5379 9.5591 k = 0.2677 0.6062 0.3407 ( 11503 PWs) bands (ev): -8.2321 -8.2306 -8.1901 -8.1895 -8.1701 -8.1693 -8.0397 -8.0378 -4.4096 -4.4080 -4.3944 -4.3867 -3.7692 -3.7580 -3.7362 -3.7297 -3.7128 -3.7068 -0.4243 -0.4115 0.0125 0.0308 0.1007 0.1747 0.1874 0.2944 0.3711 0.4352 0.4602 0.4962 0.5844 0.6226 0.7250 0.7350 0.8946 1.0090 1.0743 1.1200 1.2008 1.3217 1.3940 1.4479 1.5657 1.6828 1.8379 1.9825 2.0212 2.0703 2.2541 2.3365 2.5998 2.6198 2.7620 2.7807 2.8545 2.8927 3.1410 3.1681 3.3283 3.3634 3.6888 3.7101 6.9979 7.0500 8.0091 8.0767 8.1266 8.1810 8.4068 8.5319 8.8724 8.9029 9.5504 9.5829 k = 0.2454 0.5999 0.3484 ( 11501 PWs) bands (ev): -8.2348 -8.2334 -8.1952 -8.1946 -8.1614 -8.1605 -8.0404 -8.0385 -4.4093 -4.4077 -4.3944 -4.3868 -3.7686 -3.7580 -3.7358 -3.7298 -3.7128 -3.7070 -0.4176 -0.4042 0.0159 0.0356 0.1000 0.1747 0.1926 0.2980 0.3679 0.4308 0.4662 0.5081 0.5840 0.6210 0.7239 0.7318 0.8749 1.0037 1.0615 1.1147 1.2045 1.3113 1.3809 1.4358 1.5700 1.6761 1.8348 1.9757 2.0230 2.0681 2.2273 2.3461 2.5995 2.6318 2.7712 2.7930 2.8617 2.8907 3.1606 3.1845 3.3048 3.3517 3.6915 3.7122 7.0053 7.0551 8.0136 8.0850 8.1505 8.1989 8.4235 8.5435 8.9147 8.9585 9.5560 9.5928 k = 0.2231 0.5936 0.3561 ( 11495 PWs) bands (ev): -8.2379 -8.2367 -8.2000 -8.1994 -8.1522 -8.1512 -8.0415 -8.0395 -4.4090 -4.4074 -4.3943 -4.3870 -3.7680 -3.7580 -3.7354 -3.7298 -3.7127 -3.7072 -0.4108 -0.3969 0.0196 0.0407 0.0998 0.1746 0.1995 0.3020 0.3646 0.4264 0.4718 0.5208 0.5839 0.6192 0.7195 0.7283 0.8564 0.9971 1.0476 1.1087 1.2077 1.2982 1.3708 1.4238 1.5759 1.6704 1.8320 1.9693 2.0249 2.0663 2.2003 2.3508 2.6002 2.6461 2.7798 2.8055 2.8740 2.8928 3.1821 3.2001 3.2785 3.3355 3.6935 3.7128 7.0122 7.0590 8.0186 8.0922 8.1779 8.2212 8.4426 8.5549 8.9585 9.0143 9.5540 9.5897 k = 0.2008 0.5873 0.3638 ( 11498 PWs) bands (ev): -8.2411 -8.2401 -8.2045 -8.2040 -8.1429 -8.1418 -8.0429 -8.0409 -4.4087 -4.4071 -4.3941 -4.3872 -3.7673 -3.7581 -3.7350 -3.7298 -3.7127 -3.7074 -0.4040 -0.3899 0.0236 0.0459 0.1004 0.1743 0.2078 0.3062 0.3613 0.4221 0.4768 0.5339 0.5843 0.6171 0.7096 0.7256 0.8408 0.9893 1.0329 1.1018 1.2103 1.2835 1.3637 1.4122 1.5827 1.6657 1.8298 1.9632 2.0267 2.0656 2.1739 2.3498 2.6034 2.6606 2.7894 2.8188 2.8893 2.8979 3.2034 3.2149 3.2513 3.3180 3.6933 3.7108 7.0188 7.0621 8.0246 8.0982 8.2075 8.2463 8.4657 8.5677 9.0022 9.0688 9.5442 9.5763 k = 0.1785 0.5810 0.3715 ( 11504 PWs) bands (ev): -8.2442 -8.2433 -8.2087 -8.2081 -8.1337 -8.1325 -8.0446 -8.0426 -4.4084 -4.4069 -4.3939 -4.3875 -3.7667 -3.7582 -3.7345 -3.7298 -3.7126 -3.7077 -0.3972 -0.3833 0.0276 0.0506 0.1020 0.1739 0.2177 0.3105 0.3580 0.4180 0.4809 0.5467 0.5857 0.6150 0.6942 0.7233 0.8295 0.9800 1.0184 1.0936 1.2122 1.2689 1.3589 1.4013 1.5898 1.6617 1.8288 1.9572 2.0279 2.0669 2.1488 2.3428 2.6097 2.6740 2.8009 2.8335 2.9045 2.9060 3.2094 3.2253 3.2394 3.3043 3.6892 3.7058 7.0254 7.0647 8.0318 8.1032 8.2379 8.2723 8.4941 8.5830 9.0447 9.1207 9.5270 9.5569 k = 0.1562 0.5747 0.3793 ( 11502 PWs) bands (ev): -8.2470 -8.2463 -8.2124 -8.2119 -8.1248 -8.1235 -8.0467 -8.0447 -4.4081 -4.4067 -4.3936 -4.3878 -3.7660 -3.7584 -3.7340 -3.7298 -3.7125 -3.7080 -0.3906 -0.3773 0.0317 0.0546 0.1048 0.1732 0.2289 0.3148 0.3549 0.4142 0.4839 0.5580 0.5885 0.6131 0.6744 0.7212 0.8227 0.9686 1.0052 1.0839 1.2135 1.2557 1.3557 1.3913 1.5969 1.6584 1.8292 1.9507 2.0281 2.0710 2.1260 2.3307 2.6188 2.6853 2.8145 2.8499 2.9126 2.9220 3.1857 3.2177 3.2642 3.3031 3.6806 3.6976 7.0320 7.0669 8.0400 8.1074 8.2673 8.2976 8.5284 8.6018 9.0852 9.1695 9.5041 9.5348 k = 0.1339 0.5684 0.3870 ( 11505 PWs) bands (ev): -8.2496 -8.2489 -8.2157 -8.2152 -8.1163 -8.1148 -8.0492 -8.0472 -4.4078 -4.4065 -4.3933 -4.3881 -3.7653 -3.7587 -3.7335 -3.7299 -3.7123 -3.7084 -0.3844 -0.3720 0.0357 0.0576 0.1091 0.1720 0.2413 0.3189 0.3524 0.4106 0.4860 0.5664 0.5923 0.6121 0.6529 0.7192 0.8197 0.9545 0.9950 1.0728 1.2143 1.2448 1.3533 1.3824 1.6037 1.6555 1.8314 1.9433 2.0274 2.0772 2.1068 2.3145 2.6299 2.6938 2.8302 2.8678 2.9208 2.9370 3.1563 3.2004 3.2915 3.3175 3.6670 3.6860 7.0385 7.0689 8.0492 8.1108 8.2938 8.3211 8.5679 8.6246 9.1236 9.2142 9.4780 9.5121 k = 0.1116 0.5620 0.3947 ( 11505 PWs) bands (ev): -8.2518 -8.2512 -8.2185 -8.2181 -8.1081 -8.1066 -8.0521 -8.0501 -4.4076 -4.4064 -4.3929 -4.3884 -3.7646 -3.7590 -3.7330 -3.7299 -3.7121 -3.7087 -0.3786 -0.3675 0.0396 0.0594 0.1148 0.1702 0.2547 0.3223 0.3508 0.4070 0.4872 0.5717 0.5930 0.6096 0.6379 0.7170 0.8196 0.9379 0.9882 1.0603 1.2148 1.2363 1.3517 1.3745 1.6103 1.6528 1.8355 1.9348 2.0262 2.0772 2.1000 2.2956 2.6418 2.6996 2.8477 2.8865 2.9288 2.9506 3.1266 3.1767 3.3186 3.3426 3.6491 3.6709 7.0449 7.0704 8.0591 8.1131 8.3166 8.3418 8.6107 8.6515 9.1596 9.2540 9.4518 9.4897 k = 0.0892 0.5557 0.4024 ( 11495 PWs) bands (ev): -8.2536 -8.2531 -8.2208 -8.2205 -8.1005 -8.0989 -8.0554 -8.0535 -4.4073 -4.4064 -4.3924 -4.3888 -3.7639 -3.7593 -3.7325 -3.7300 -3.7119 -3.7091 -0.3733 -0.3640 0.0434 0.0601 0.1214 0.1678 0.2684 0.3243 0.3510 0.4033 0.4882 0.5751 0.5836 0.6008 0.6412 0.7144 0.8220 0.9199 0.9848 1.0472 1.2151 1.2300 1.3507 1.3679 1.6165 1.6501 1.8414 1.9252 2.0250 2.0654 2.1107 2.2748 2.6539 2.7028 2.8666 2.9050 2.9364 2.9630 3.0976 3.1503 3.3462 3.3725 3.6277 3.6523 7.0510 7.0716 8.0691 8.1142 8.3356 8.3585 8.6541 8.6812 9.1933 9.2871 9.4286 9.4681 k = 0.0669 0.5494 0.4101 ( 11488 PWs) bands (ev): -8.2550 -8.2546 -8.2227 -8.2224 -8.0933 -8.0916 -8.0591 -8.0572 -4.4071 -4.4064 -4.3919 -4.3891 -3.7632 -3.7597 -3.7320 -3.7301 -3.7116 -3.7095 -0.3688 -0.3614 0.0469 0.0599 0.1286 0.1646 0.2818 0.3243 0.3539 0.3988 0.4898 0.5635 0.5779 0.5960 0.6530 0.7108 0.8265 0.9018 0.9844 1.0339 1.2154 1.2255 1.3501 1.3624 1.6222 1.6473 1.8489 1.9145 2.0245 2.0534 2.1267 2.2530 2.6654 2.7035 2.8862 2.9215 2.9433 2.9754 3.0702 3.1233 3.3750 3.4032 3.6044 3.6307 7.0566 7.0721 8.0789 8.1139 8.3512 8.3705 8.6944 8.7112 9.2249 9.3101 9.4124 9.4486 k = 0.0446 0.5431 0.4179 ( 11493 PWs) bands (ev): -8.2560 -8.2557 -8.2240 -8.2238 -8.0867 -8.0850 -8.0632 -8.0614 -4.4069 -4.4064 -4.3915 -4.3896 -3.7626 -3.7602 -3.7315 -3.7303 -3.7113 -3.7099 -0.3651 -0.3600 0.0501 0.0589 0.1359 0.1605 0.2940 0.3221 0.3596 0.3930 0.4932 0.5426 0.5806 0.5925 0.6662 0.7058 0.8333 0.8843 0.9869 1.0211 1.2159 1.2222 1.3502 1.3580 1.6276 1.6442 1.8580 1.9030 2.0250 2.0434 2.1452 2.2308 2.6759 2.7019 2.9051 2.9330 2.9508 2.9875 3.0469 3.0967 3.4039 3.4309 3.5821 3.6073 7.0615 7.0719 8.0881 8.1120 8.3636 8.3777 8.7277 8.7376 9.2539 9.3184 9.4069 9.4324 k = 0.0223 0.5368 0.4256 ( 11484 PWs) bands (ev): -8.2565 -8.2564 -8.2248 -8.2247 -8.0808 -8.0793 -8.0674 -8.0658 -4.4067 -4.4065 -4.3910 -4.3900 -3.7619 -3.7607 -3.7311 -3.7305 -3.7110 -3.7103 -0.3623 -0.3597 0.0529 0.0574 0.1431 0.1555 0.3042 0.3180 0.3676 0.3855 0.4997 0.5244 0.5833 0.5893 0.6789 0.6989 0.8425 0.8682 0.9921 1.0096 1.2167 1.2198 1.3509 1.3547 1.6324 1.6407 1.8683 1.8912 2.0268 2.0358 2.1654 2.2085 2.6850 2.6982 2.9212 2.9361 2.9628 2.9914 3.0371 3.0715 3.4304 3.4491 3.5668 3.5844 7.0656 7.0708 8.0963 8.1084 8.3727 8.3802 8.7505 8.7552 9.2792 9.3131 9.4093 9.4209 k = 0.0000 0.5305 0.4333 ( 11474 PWs) bands (ev): -8.2567 -8.2567 -8.2250 -8.2250 -8.0770 -8.0770 -8.0692 -8.0692 -4.4066 -4.4066 -4.3905 -4.3905 -3.7613 -3.7613 -3.7308 -3.7308 -3.7106 -3.7106 -0.3604 -0.3604 0.0554 0.0554 0.1497 0.1497 0.3122 0.3122 0.3767 0.3767 0.5099 0.5099 0.5863 0.5863 0.6899 0.6899 0.8542 0.8542 0.9997 0.9997 1.2180 1.2180 1.3524 1.3524 1.6368 1.6368 1.8795 1.8795 2.0304 2.0304 2.1866 2.1866 2.6925 2.6925 2.9318 2.9318 2.9788 2.9788 3.0495 3.0495 3.4487 3.4487 3.5678 3.5678 7.0687 7.0687 8.1031 8.1031 8.3784 8.3784 8.7601 8.7601 9.2993 9.2993 9.4140 9.4140 k = 0.0000 0.5305 0.4333 ( 11474 PWs) bands (ev): -8.2567 -8.2567 -8.2250 -8.2250 -8.0770 -8.0770 -8.0692 -8.0692 -4.4066 -4.4066 -4.3905 -4.3905 -3.7613 -3.7613 -3.7308 -3.7308 -3.7106 -3.7106 -0.3604 -0.3604 0.0554 0.0554 0.1497 0.1497 0.3122 0.3122 0.3767 0.3767 0.5099 0.5099 0.5863 0.5863 0.6899 0.6899 0.8542 0.8542 0.9997 0.9997 1.2180 1.2180 1.3524 1.3524 1.6368 1.6368 1.8795 1.8795 2.0304 2.0304 2.1866 2.1866 2.6925 2.6925 2.9318 2.9318 2.9788 2.9788 3.0495 3.0495 3.4487 3.4487 3.5678 3.5678 7.0687 7.0687 8.1031 8.1031 8.3784 8.3784 8.7601 8.7601 9.2993 9.2993 9.4140 9.4140 k = 0.0100 0.5164 0.4506 ( 11488 PWs) bands (ev): -8.2565 -8.2565 -8.2249 -8.2248 -8.0771 -8.0770 -8.0694 -8.0694 -4.4070 -4.4061 -4.3906 -4.3903 -3.7618 -3.7608 -3.7308 -3.7307 -3.7107 -3.7105 -0.3629 -0.3593 0.0524 0.0580 0.1489 0.1495 0.3118 0.3122 0.3760 0.3768 0.5095 0.5106 0.5784 0.5906 0.6869 0.6953 0.8524 0.8566 0.9999 1.0008 1.2170 1.2183 1.3460 1.3561 1.6316 1.6395 1.8598 1.8926 2.0239 2.0419 2.1877 2.1928 2.6877 2.6983 2.9228 2.9318 2.9720 2.9944 3.0509 3.0565 3.4432 3.4546 3.5668 3.5681 7.0624 7.0681 8.0941 8.1035 8.3728 8.3787 8.7630 8.7678 9.2972 9.2996 9.4091 9.4165 k = 0.0200 0.5022 0.4680 ( 11500 PWs) bands (ev): -8.2560 -8.2560 -8.2244 -8.2242 -8.0776 -8.0774 -8.0699 -8.0699 -4.4074 -4.4057 -4.3907 -4.3902 -3.7622 -3.7603 -3.7308 -3.7306 -3.7107 -3.7104 -0.3666 -0.3595 0.0491 0.0602 0.1473 0.1484 0.3111 0.3118 0.3745 0.3761 0.5093 0.5114 0.5680 0.5914 0.6855 0.7030 0.8513 0.8599 1.0012 1.0030 1.2151 1.2179 1.3372 1.3571 1.6240 1.6395 1.8361 1.8960 2.0253 2.0562 2.1959 2.2063 2.6843 2.7045 2.9085 2.9267 2.9715 3.0151 3.0603 3.0711 3.4380 3.4608 3.5651 3.5675 7.0493 7.0606 8.0774 8.0950 8.3624 8.3735 8.7760 8.7852 9.2934 9.2982 9.4027 9.4169 k = 0.0300 0.4880 0.4853 ( 11502 PWs) bands (ev): -8.2551 -8.2550 -8.2237 -8.2234 -8.0783 -8.0779 -8.0708 -8.0708 -4.4078 -4.4052 -4.3908 -4.3900 -3.7626 -3.7598 -3.7307 -3.7305 -3.7107 -3.7103 -0.3716 -0.3609 0.0456 0.0620 0.1449 0.1463 0.3101 0.3109 0.3725 0.3745 0.5093 0.5124 0.5565 0.5893 0.6848 0.7121 0.8508 0.8640 1.0036 1.0064 1.2121 1.2171 1.3264 1.3555 1.6142 1.6368 1.8101 1.8891 2.0357 2.0729 2.2103 2.2261 2.6829 2.7105 2.8942 2.9209 2.9736 3.0363 3.0771 3.0914 3.4332 3.4674 3.5628 3.5663 7.0298 7.0466 8.0547 8.0786 8.3475 8.3627 8.7977 8.8105 9.2880 9.2954 9.3960 9.4157 k = 0.0400 0.4739 0.5026 ( 11506 PWs) bands (ev): -8.2538 -8.2537 -8.2226 -8.2222 -8.0792 -8.0788 -8.0721 -8.0720 -4.4081 -4.4047 -4.3908 -4.3898 -3.7629 -3.7592 -3.7306 -3.7303 -3.7107 -3.7101 -0.3776 -0.3637 0.0418 0.0632 0.1419 0.1431 0.3090 0.3098 0.3697 0.3722 0.5094 0.5133 0.5451 0.5855 0.6840 0.7214 0.8510 0.8692 1.0070 1.0108 1.2078 1.2159 1.3143 1.3516 1.6024 1.6313 1.7827 1.8742 2.0530 2.0919 2.2296 2.2513 2.6841 2.7161 2.8823 2.9167 2.9773 3.0561 3.1002 3.1156 3.4287 3.4740 3.5605 3.5647 7.0045 7.0265 8.0277 8.0558 8.3283 8.3464 8.8260 8.8414 9.2815 9.2915 9.3901 9.4145 k = 0.0500 0.4597 0.5200 ( 11504 PWs) bands (ev): -8.2521 -8.2521 -8.2212 -8.2208 -8.0804 -8.0799 -8.0737 -8.0736 -4.4083 -4.4042 -4.3908 -4.3896 -3.7632 -3.7587 -3.7304 -3.7301 -3.7106 -3.7099 -0.3848 -0.3678 0.0379 0.0638 0.1382 0.1389 0.3078 0.3083 0.3664 0.3691 0.5093 0.5136 0.5353 0.5809 0.6827 0.7299 0.8518 0.8756 1.0112 1.0160 1.2019 1.2144 1.3017 1.3456 1.5888 1.6233 1.7544 1.8543 2.0750 2.1137 2.2523 2.2806 2.6885 2.7211 2.8735 2.9150 2.9825 3.0744 3.1273 3.1425 3.4246 3.4802 3.5587 3.5629 6.9741 7.0011 7.9982 8.0285 8.3049 8.3250 8.8586 8.8754 9.2742 9.2870 9.3863 9.4145 k = 0.0600 0.4456 0.5373 ( 11516 PWs) bands (ev): -8.2502 -8.2501 -8.2196 -8.2190 -8.0819 -8.0812 -8.0757 -8.0755 -4.4086 -4.4038 -4.3908 -4.3894 -3.7634 -3.7581 -3.7302 -3.7298 -3.7106 -3.7097 -0.3928 -0.3730 0.0339 0.0638 0.1338 0.1338 0.3065 0.3066 0.3623 0.3653 0.5088 0.5117 0.5291 0.5765 0.6806 0.7370 0.8532 0.8831 1.0160 1.0217 1.1940 1.2126 1.2894 1.3381 1.5736 1.6127 1.7256 1.8313 2.1004 2.1385 2.2768 2.3130 2.6967 2.7259 2.8678 2.9162 2.9888 3.0910 3.1567 3.1710 3.4207 3.4850 3.5586 3.5614 6.9394 6.9710 7.9673 7.9984 8.2771 8.2986 8.8929 8.9099 9.2667 9.2823 9.3857 9.4172 k = 0.0700 0.4314 0.5546 ( 11520 PWs) bands (ev): -8.2478 -8.2478 -8.2176 -8.2169 -8.0836 -8.0828 -8.0779 -8.0778 -4.4087 -4.4033 -4.3908 -4.3892 -3.7635 -3.7576 -3.7299 -3.7296 -3.7105 -3.7095 -0.4017 -0.3794 0.0299 0.0629 0.1280 0.1289 0.3049 0.3053 0.3577 0.3608 0.5067 0.5076 0.5277 0.5729 0.6777 0.7424 0.8553 0.8917 1.0212 1.0277 1.1841 1.2106 1.2784 1.3294 1.5573 1.6000 1.6966 1.8062 2.1284 2.1662 2.3019 2.3475 2.7094 2.7309 2.8649 2.9204 2.9956 3.1058 3.1872 3.2005 3.4170 3.4876 3.5607 3.5613 6.9012 6.9370 7.9362 7.9668 8.2454 8.2677 8.9263 8.9423 9.2602 9.2786 9.3892 9.4234 k = 0.0800 0.4173 0.5720 ( 11524 PWs) bands (ev): -8.2452 -8.2451 -8.2153 -8.2146 -8.0855 -8.0846 -8.0805 -8.0804 -4.4088 -4.4029 -4.3907 -4.3890 -3.7635 -3.7572 -3.7295 -3.7293 -3.7104 -3.7093 -0.4112 -0.3869 0.0258 0.0613 0.1215 0.1234 0.3031 0.3041 0.3527 0.3559 0.5007 0.5056 0.5290 0.5706 0.6742 0.7462 0.8579 0.9012 1.0266 1.0335 1.1723 1.2082 1.2692 1.3200 1.5401 1.5854 1.6676 1.7797 2.1586 2.1968 2.3265 2.3832 2.7270 2.7370 2.8642 2.9273 3.0026 3.1178 3.2181 3.2304 3.4132 3.4873 3.5615 3.5674 6.8605 6.9001 7.9056 7.9348 8.2099 8.2329 8.9562 8.9695 9.2569 9.2775 9.3974 9.4339 k = 0.0900 0.4031 0.5893 ( 11520 PWs) bands (ev): -8.2422 -8.2421 -8.2128 -8.2119 -8.0877 -8.0867 -8.0834 -8.0833 -4.4089 -4.4026 -4.3906 -4.3888 -3.7635 -3.7568 -3.7291 -3.7290 -3.7102 -3.7090 -0.4213 -0.3952 0.0218 0.0587 0.1148 0.1175 0.3014 0.3030 0.3474 0.3508 0.4949 0.5027 0.5316 0.5697 0.6703 0.7483 0.8611 0.9111 1.0320 1.0386 1.1593 1.2054 1.2619 1.3103 1.5224 1.5692 1.6392 1.7524 2.1907 2.2299 2.3499 2.4193 2.7448 2.7496 2.8654 2.9367 3.0092 3.1266 3.2487 3.2599 3.4091 3.4847 3.5643 3.5766 6.8180 6.8609 7.8761 7.9034 8.1713 8.1947 8.9792 8.9881 9.2598 9.2815 9.4105 9.4490 k = 0.1000 0.3889 0.6066 ( 11528 PWs) bands (ev): -8.2389 -8.2388 -8.2100 -8.2091 -8.0901 -8.0891 -8.0866 -8.0864 -4.4089 -4.4022 -4.3905 -4.3886 -3.7634 -3.7564 -3.7287 -3.7287 -3.7101 -3.7088 -0.4317 -0.4044 0.0178 0.0551 0.1080 0.1111 0.2998 0.3020 0.3420 0.3455 0.4897 0.4989 0.5349 0.5703 0.6663 0.7491 0.8646 0.9213 1.0373 1.0421 1.1461 1.2019 1.2566 1.3007 1.5048 1.5515 1.6118 1.7246 2.2242 2.2651 2.3720 2.4550 2.7547 2.7767 2.8679 2.9482 3.0154 3.1317 3.2781 3.2880 3.4048 3.4813 3.5695 3.5879 6.7747 6.8203 7.8482 7.8729 8.1302 8.1537 8.9929 8.9958 9.2712 9.2928 9.4286 9.4688 k = 0.1100 0.3748 0.6240 ( 11518 PWs) bands (ev): -8.2353 -8.2352 -8.2069 -8.2059 -8.0928 -8.0917 -8.0901 -8.0898 -4.4088 -4.4020 -4.3903 -4.3883 -3.7632 -3.7560 -3.7284 -3.7283 -3.7099 -3.7085 -0.4423 -0.4143 0.0141 0.0506 0.1014 0.1044 0.2985 0.3012 0.3367 0.3403 0.4850 0.4944 0.5388 0.5721 0.6624 0.7487 0.8686 0.9316 1.0422 1.0429 1.1344 1.1975 1.2528 1.2914 1.4877 1.5322 1.5861 1.6966 2.2586 2.3017 2.3927 2.4897 2.7667 2.8076 2.8713 2.9618 3.0215 3.1334 3.3046 3.3132 3.4012 3.4791 3.5772 3.6003 6.7313 6.7790 7.8220 7.8440 8.0873 8.1107 8.9926 8.9961 9.2915 9.3126 9.4514 9.4931 k = 0.1200 0.3606 0.6413 ( 11528 PWs) bands (ev): -8.2315 -8.2314 -8.2037 -8.2026 -8.0958 -8.0948 -8.0937 -8.0933 -4.4087 -4.4018 -4.3901 -4.3881 -3.7630 -3.7558 -3.7280 -3.7278 -3.7098 -3.7082 -0.4530 -0.4247 0.0105 0.0452 0.0951 0.0974 0.2973 0.3004 0.3316 0.3353 0.4805 0.4895 0.5432 0.5748 0.6589 0.7474 0.8728 0.9417 1.0398 1.0467 1.1257 1.1921 1.2502 1.2826 1.4715 1.5113 1.5629 1.6688 2.2935 2.3391 2.4126 2.5229 2.7803 2.8411 2.8754 2.9771 3.0279 3.1319 3.3249 3.3333 3.4011 3.4804 3.5870 3.6128 6.6884 6.7376 7.7977 7.8169 8.0433 8.0665 8.9805 8.9901 9.3190 9.3399 9.4785 9.5217 k = 0.1300 0.3465 0.6586 ( 11526 PWs) bands (ev): -8.2273 -8.2272 -8.2002 -8.1990 -8.0992 -8.0984 -8.0974 -8.0967 -4.4085 -4.4016 -4.3899 -4.3879 -3.7627 -3.7555 -3.7277 -3.7273 -3.7096 -3.7080 -0.4635 -0.4354 0.0071 0.0392 0.0892 0.0902 0.2963 0.2999 0.3269 0.3306 0.4761 0.4843 0.5483 0.5783 0.6558 0.7452 0.8772 0.9516 1.0324 1.0506 1.1209 1.1858 1.2487 1.2742 1.4567 1.4892 1.5425 1.6415 2.3284 2.3768 2.4322 2.5544 2.7946 2.8753 2.8802 2.9943 3.0355 3.1280 3.3342 3.3461 3.4090 3.4873 3.5985 3.6248 6.6468 6.6967 7.7756 7.7918 7.9989 8.0218 8.9627 8.9769 9.3515 9.3729 9.5097 9.5543 k = 0.1400 0.3323 0.6760 ( 11508 PWs) bands (ev): -8.2230 -8.2228 -8.1965 -8.1953 -8.1031 -8.1025 -8.1010 -8.1000 -4.4082 -4.4015 -4.3896 -4.3877 -3.7623 -3.7554 -3.7274 -3.7269 -3.7094 -3.7077 -0.4736 -0.4462 0.0041 0.0329 0.0830 0.0836 0.2956 0.2995 0.3227 0.3263 0.4718 0.4790 0.5540 0.5823 0.6533 0.7423 0.8817 0.9611 1.0215 1.0538 1.1194 1.1788 1.2477 1.2661 1.4437 1.4666 1.5249 1.6149 2.3625 2.4140 2.4520 2.5842 2.8079 2.8859 2.9082 3.0134 3.0452 3.1226 3.3320 3.3511 3.4252 3.5006 3.6109 3.6355 6.6070 6.6570 7.7554 7.7688 7.9550 7.9773 8.9416 8.9591 9.3870 9.4098 9.5446 9.5905 k = 0.1500 0.3182 0.6933 ( 11508 PWs) bands (ev): -8.2184 -8.2182 -8.1926 -8.1914 -8.1075 -8.1070 -8.1046 -8.1034 -4.4080 -4.4015 -4.3894 -4.3875 -3.7619 -3.7552 -3.7271 -3.7264 -3.7092 -3.7075 -0.4834 -0.4570 0.0013 0.0265 0.0759 0.0782 0.2951 0.2992 0.3189 0.3224 0.4674 0.4737 0.5602 0.5867 0.6514 0.7386 0.8863 0.9704 1.0086 1.0563 1.1200 1.1715 1.2468 1.2579 1.4328 1.4445 1.5095 1.5892 2.3954 2.4501 2.4727 2.6121 2.8182 2.8932 2.9368 3.0348 3.0578 3.1174 3.3234 3.3497 3.4447 3.5186 3.6236 3.6447 6.5696 6.6188 7.7374 7.7480 7.9122 7.9337 8.9190 8.9386 9.4244 9.4491 9.5829 9.6299 k = 0.1600 0.3040 0.7106 ( 11514 PWs) bands (ev): -8.2136 -8.2135 -8.1886 -8.1873 -8.1121 -8.1117 -8.1082 -8.1069 -4.4077 -4.4015 -4.3891 -4.3874 -3.7614 -3.7552 -3.7267 -3.7260 -3.7089 -3.7074 -0.4925 -0.4676 -0.0011 0.0203 0.0690 0.0729 0.2948 0.2991 0.3156 0.3188 0.4630 0.4686 0.5671 0.5912 0.6500 0.7342 0.8909 0.9793 0.9949 1.0579 1.1218 1.1643 1.2455 1.2492 1.4242 1.4242 1.4960 1.5647 2.4262 2.4845 2.4947 2.6383 2.8245 2.9021 2.9583 3.0569 3.0739 3.1155 3.3121 3.3444 3.4643 3.5387 3.6360 3.6519 6.5351 6.5827 7.7213 7.7295 7.8712 7.8917 8.8963 8.9168 9.4629 9.4900 9.6242 9.6721 k = 0.1700 0.2898 0.7280 ( 11520 PWs) bands (ev): -8.2086 -8.2085 -8.1845 -8.1831 -8.1169 -8.1166 -8.1120 -8.1106 -4.4073 -4.4016 -4.3888 -4.3873 -3.7610 -3.7552 -3.7264 -3.7257 -3.7087 -3.7072 -0.5008 -0.4779 -0.0032 0.0145 0.0625 0.0678 0.2946 0.2991 0.3127 0.3156 0.4587 0.4636 0.5744 0.5959 0.6489 0.7291 0.8953 0.9813 0.9880 1.0587 1.1241 1.1578 1.2400 1.2430 1.4068 1.4179 1.4841 1.5414 2.4547 2.5165 2.5182 2.6621 2.8272 2.9121 2.9709 3.0730 3.0932 3.1241 3.3000 3.3372 3.4824 3.5588 3.6478 3.6571 6.5038 6.5489 7.7071 7.7133 7.8327 7.8519 8.8744 8.8948 9.5021 9.5318 9.6681 9.7165 k = 0.1800 0.2757 0.7453 ( 11526 PWs) bands (ev): -8.2035 -8.2034 -8.1802 -8.1788 -8.1220 -8.1216 -8.1159 -8.1145 -4.4070 -4.4017 -4.3886 -4.3872 -3.7605 -3.7552 -3.7261 -3.7253 -3.7085 -3.7071 -0.5083 -0.4875 -0.0050 0.0093 0.0566 0.0629 0.2947 0.2991 0.3103 0.3128 0.4547 0.4589 0.5823 0.6006 0.6483 0.7232 0.8994 0.9687 0.9962 1.0587 1.1268 1.1524 1.2301 1.2385 1.3932 1.4138 1.4736 1.5196 2.4806 2.5431 2.5458 2.6828 2.8280 2.9225 2.9747 3.0782 3.1152 3.1466 3.2885 3.3295 3.4985 3.5773 3.6584 3.6605 6.4761 6.5179 7.6949 7.6993 7.7972 7.8149 8.8540 8.8736 9.5419 9.5742 9.7142 9.7626 k = 0.1900 0.2615 0.7626 ( 11524 PWs) bands (ev): -8.1983 -8.1981 -8.1759 -8.1744 -8.1271 -8.1268 -8.1199 -8.1184 -4.4066 -4.4019 -4.3883 -4.3871 -3.7599 -3.7553 -3.7258 -3.7251 -3.7083 -3.7070 -0.5148 -0.4965 -0.0064 0.0047 0.0512 0.0581 0.2950 0.2993 0.3083 0.3103 0.4510 0.4546 0.5905 0.6053 0.6480 0.7166 0.9032 0.9573 1.0041 1.0579 1.1297 1.1485 1.2197 1.2316 1.3843 1.4117 1.4643 1.4994 2.5045 2.5686 2.5719 2.6985 2.8295 2.9327 2.9710 3.0776 3.1386 3.1750 3.2785 3.3220 3.5127 3.5929 3.6625 3.6677 6.4522 6.4900 7.6845 7.6876 7.7652 7.7812 8.8357 8.8537 9.5820 9.6167 9.7619 9.8094 k = 0.2000 0.2474 0.7800 ( 11522 PWs) bands (ev): -8.1930 -8.1929 -8.1715 -8.1700 -8.1323 -8.1320 -8.1240 -8.1225 -4.4061 -4.4022 -4.3881 -4.3870 -3.7594 -3.7555 -3.7256 -3.7248 -3.7081 -3.7069 -0.5202 -0.5045 -0.0075 0.0008 0.0467 0.0537 0.2954 0.2996 0.3066 0.3081 0.4477 0.4507 0.5988 0.6097 0.6480 0.7092 0.9065 0.9473 1.0118 1.0565 1.1330 1.1464 1.2090 1.2224 1.3800 1.4112 1.4560 1.4806 2.5268 2.5935 2.5941 2.7075 2.8339 2.9428 2.9620 3.0738 3.1623 3.2032 3.2708 3.3153 3.5252 3.6039 3.6643 3.6753 6.4325 6.4653 7.6759 7.6781 7.7372 7.7513 8.8198 8.8357 9.6221 9.6587 9.8103 9.8556 k = 0.2100 0.2332 0.7973 ( 11510 PWs) bands (ev): -8.1878 -8.1876 -8.1671 -8.1656 -8.1376 -8.1373 -8.1281 -8.1266 -4.4057 -4.4025 -4.3878 -4.3870 -3.7589 -3.7557 -3.7253 -3.7247 -3.7079 -3.7069 -0.5244 -0.5116 -0.0083 -0.0024 0.0431 0.0496 0.2960 0.2999 0.3053 0.3061 0.4450 0.4474 0.6070 0.6138 0.6485 0.7011 0.9094 0.9388 1.0190 1.0547 1.1367 1.1460 1.1984 1.2114 1.3799 1.4120 1.4486 1.4633 2.5480 2.6117 2.6170 2.7095 2.8422 2.9496 2.9535 3.0667 3.1849 3.2283 3.2658 3.3095 3.5366 3.6089 3.6672 3.6811 6.4169 6.4441 7.6691 7.6709 7.7136 7.7257 8.8068 8.8200 9.6618 9.6991 9.8583 9.8993 k = 0.2200 0.2191 0.8146 ( 11514 PWs) bands (ev): -8.1826 -8.1824 -8.1627 -8.1612 -8.1427 -8.1424 -8.1322 -8.1308 -4.4053 -4.4028 -4.3876 -4.3870 -3.7584 -3.7560 -3.7251 -3.7246 -3.7077 -3.7069 -0.5273 -0.5176 -0.0089 -0.0049 0.0405 0.0459 0.2968 0.3002 0.3041 0.3044 0.4428 0.4446 0.6144 0.6175 0.6499 0.6924 0.9118 0.9319 1.0258 1.0524 1.1409 1.1476 1.1883 1.1997 1.3832 1.4138 1.4420 1.4477 2.5681 2.6237 2.6381 2.7061 2.8533 2.9355 2.9654 3.0562 3.2052 3.2471 3.2647 3.3046 3.5476 3.6077 3.6718 3.6851 6.4056 6.4266 7.6643 7.6660 7.6945 7.7045 8.7968 8.8071 9.7000 9.7359 9.9042 9.9368 k = 0.2300 0.2049 0.8320 ( 11508 PWs) bands (ev): -8.1778 -8.1776 -8.1586 -8.1572 -8.1475 -8.1472 -8.1361 -8.1348 -4.4048 -4.4031 -4.3874 -4.3870 -3.7579 -3.7563 -3.7249 -3.7245 -3.7075 -3.7070 -0.5290 -0.5225 -0.0092 -0.0068 0.0390 0.0429 0.2977 0.3006 0.3029 0.3033 0.4413 0.4426 0.6201 0.6206 0.6529 0.6833 0.9141 0.9265 1.0320 1.0496 1.1457 1.1509 1.1790 1.1883 1.3892 1.4160 1.4339 1.4361 2.5868 2.6289 2.6563 2.6996 2.8657 2.9207 2.9790 3.0428 3.2224 3.2530 3.2724 3.3003 3.5586 3.6015 3.6771 3.6871 6.3986 6.4129 7.6616 7.6637 7.6800 7.6879 8.7901 8.7971 9.7351 9.7656 9.9454 9.9622 k = 0.2400 0.1908 0.8493 ( 11510 PWs) bands (ev): -8.1739 -8.1738 -8.1550 -8.1540 -8.1512 -8.1510 -8.1393 -8.1383 -4.4044 -4.4035 -4.3873 -4.3871 -3.7574 -3.7566 -3.7247 -3.7246 -3.7073 -3.7071 -0.5293 -0.5261 -0.0092 -0.0081 0.0385 0.0406 0.2987 0.3006 0.3019 0.3025 0.4405 0.4412 0.6229 0.6232 0.6583 0.6743 0.9164 0.9222 1.0375 1.0463 1.1511 1.1550 1.1717 1.1780 1.3972 1.4154 1.4251 1.4308 2.6037 2.6265 2.6712 2.6919 2.8786 2.9061 2.9944 3.0273 3.2357 3.2507 3.2827 3.2959 3.5699 3.5923 3.6819 3.6872 6.3959 6.4031 7.6613 7.6642 7.6700 7.6759 8.7868 8.7903 9.7639 9.7824 9.9738 9.9764 k = 0.2500 0.1766 0.8666 ( 11504 PWs) bands (ev): -8.1722 -8.1722 -8.1534 -8.1534 -8.1523 -8.1523 -8.1403 -8.1403 -4.4039 -4.4039 -4.3872 -4.3872 -3.7570 -3.7570 -3.7246 -3.7246 -3.7072 -3.7072 -0.5284 -0.5284 -0.0088 -0.0088 0.0391 0.0391 0.2997 0.2997 0.3020 0.3020 0.4405 0.4405 0.6239 0.6239 0.6657 0.6657 0.9190 0.9190 1.0423 1.0423 1.1557 1.1557 1.1709 1.1709 1.4067 1.4067 1.4265 1.4265 2.6175 2.6175 2.6827 2.6827 2.8920 2.8920 3.0108 3.0108 3.2450 3.2450 3.2904 3.2904 3.5814 3.5814 3.6854 3.6854 6.3974 6.3974 7.6639 7.6639 7.6681 7.6681 8.7869 8.7869 9.7815 9.7815 9.9824 9.9824 k = 0.2500 0.1766 0.8666 ( 11504 PWs) bands (ev): -8.1722 -8.1722 -8.1534 -8.1534 -8.1523 -8.1523 -8.1403 -8.1403 -4.4039 -4.4039 -4.3872 -4.3872 -3.7570 -3.7570 -3.7246 -3.7246 -3.7072 -3.7072 -0.5284 -0.5284 -0.0088 -0.0088 0.0391 0.0391 0.2997 0.2997 0.3020 0.3020 0.4405 0.4405 0.6239 0.6239 0.6657 0.6657 0.9190 0.9190 1.0423 1.0423 1.1557 1.1557 1.1709 1.1709 1.4067 1.4067 1.4265 1.4265 2.6175 2.6175 2.6827 2.6827 2.8920 2.8920 3.0108 3.0108 3.2450 3.2450 3.2904 3.2904 3.5814 3.5814 3.6854 3.6854 6.3974 6.3974 7.6639 7.6639 7.6681 7.6681 8.7869 8.7869 9.7815 9.7815 9.9824 9.9824 k = 0.2656 0.1876 0.8531 ( 11508 PWs) bands (ev): -8.1727 -8.1726 -8.1536 -8.1532 -8.1523 -8.1522 -8.1401 -8.1395 -4.4042 -4.4037 -4.3872 -4.3871 -3.7572 -3.7568 -3.7247 -3.7246 -3.7073 -3.7071 -0.5291 -0.5272 -0.0092 -0.0092 0.0391 0.0399 0.2991 0.3004 0.3018 0.3023 0.4397 0.4406 0.6226 0.6229 0.6635 0.6720 0.9166 0.9193 1.0400 1.0448 1.1446 1.1525 1.1794 1.1797 1.4005 1.4120 1.4266 1.4295 2.6067 2.6177 2.6768 2.6837 2.8857 2.9040 3.0017 3.0198 3.2382 3.2449 3.2914 3.3000 3.5746 3.5873 3.6850 3.6869 6.3954 6.3993 7.6065 7.6126 7.7223 7.7272 8.7870 8.7886 9.7754 9.7846 9.9674 9.9694 k = 0.2812 0.1987 0.8396 ( 11502 PWs) bands (ev): -8.1740 -8.1738 -8.1538 -8.1533 -8.1522 -8.1521 -8.1391 -8.1382 -4.4044 -4.4035 -4.3873 -4.3870 -3.7574 -3.7566 -3.7248 -3.7245 -3.7073 -3.7070 -0.5295 -0.5257 -0.0109 -0.0097 0.0403 0.0412 0.2985 0.3009 0.3018 0.3028 0.4375 0.4408 0.6186 0.6209 0.6654 0.6814 0.9132 0.9172 1.0380 1.0475 1.1314 1.1464 1.1938 1.1938 1.3942 1.4166 1.4293 1.4352 2.5892 2.6058 2.6703 2.6758 2.8823 2.9217 2.9934 3.0280 3.2285 3.2403 3.2994 3.3176 3.5666 3.5920 3.6868 3.6888 6.3933 6.4009 7.5490 7.5612 7.7810 7.7910 8.7896 8.7922 9.7677 9.7825 9.9428 9.9487 k = 0.2969 0.2097 0.8261 ( 11504 PWs) bands (ev): -8.1756 -8.1753 -8.1538 -8.1532 -8.1521 -8.1520 -8.1378 -8.1368 -4.4046 -4.4033 -4.3875 -4.3869 -3.7577 -3.7564 -3.7250 -3.7245 -3.7075 -3.7069 -0.5297 -0.5238 -0.0137 -0.0103 0.0423 0.0426 0.2980 0.3012 0.3019 0.3038 0.4338 0.4410 0.6130 0.6193 0.6702 0.6929 0.9097 0.9126 1.0361 1.0501 1.1211 1.1406 1.2081 1.2103 1.3885 1.4201 1.4337 1.4439 2.5668 2.5843 2.6614 2.6622 2.8815 2.9396 2.9867 3.0344 3.2189 3.2357 3.3118 3.3386 3.5569 3.5946 3.6911 3.6918 6.3913 6.4022 7.4945 7.5125 7.8416 7.8568 8.7950 8.7979 9.7579 9.7751 9.9173 9.9261 k = 0.3125 0.2207 0.8126 ( 11498 PWs) bands (ev): -8.1774 -8.1769 -8.1537 -8.1531 -8.1519 -8.1519 -8.1365 -8.1354 -4.4049 -4.4031 -4.3876 -4.3868 -3.7579 -3.7563 -3.7252 -3.7245 -3.7076 -3.7067 -0.5296 -0.5216 -0.0173 -0.0108 0.0442 0.0449 0.2974 0.3012 0.3021 0.3052 0.4288 0.4413 0.6066 0.6195 0.6767 0.7056 0.9059 0.9067 1.0343 1.0524 1.1142 1.1356 1.2219 1.2278 1.3837 1.4227 1.4397 1.4556 2.5411 2.5565 2.6429 2.6515 2.8827 2.9516 2.9843 3.0382 3.2109 3.2328 3.3273 3.3606 3.5455 3.5944 3.6964 3.6976 6.3896 6.4031 7.4438 7.4672 7.9033 7.9240 8.8032 8.8059 9.7449 9.7625 9.8922 9.9029 k = 0.3281 0.2318 0.7991 ( 11501 PWs) bands (ev): -8.1791 -8.1786 -8.1534 -8.1528 -8.1516 -8.1515 -8.1354 -8.1344 -4.4051 -4.4030 -4.3878 -4.3867 -3.7581 -3.7563 -3.7254 -3.7244 -3.7077 -3.7065 -0.5292 -0.5191 -0.0215 -0.0113 0.0457 0.0476 0.2969 0.3010 0.3023 0.3068 0.4227 0.4418 0.5998 0.6218 0.6840 0.7188 0.8974 0.9047 1.0327 1.0544 1.1105 1.1314 1.2348 1.2452 1.3795 1.4250 1.4476 1.4699 2.5133 2.5249 2.6218 2.6384 2.8851 2.9527 2.9889 3.0393 3.2052 3.2321 3.3447 3.3821 3.5324 3.5912 3.7026 3.7059 6.3885 6.4040 7.3975 7.4259 7.9654 7.9917 8.8143 8.8161 9.7282 9.7449 9.8680 9.8797 k = 0.3438 0.2428 0.7855 ( 11501 PWs) bands (ev): -8.1808 -8.1801 -8.1531 -8.1525 -8.1513 -8.1510 -8.1348 -8.1338 -4.4053 -4.4029 -4.3880 -4.3866 -3.7584 -3.7562 -3.7257 -3.7244 -3.7079 -3.7063 -0.5287 -0.5164 -0.0260 -0.0117 0.0470 0.0504 0.2965 0.3006 0.3026 0.3086 0.4159 0.4423 0.5931 0.6264 0.6917 0.7323 0.8878 0.9042 1.0313 1.0561 1.1096 1.1281 1.2464 1.2617 1.3759 1.4271 1.4577 1.4865 2.4848 2.4910 2.5991 2.6234 2.8881 2.9466 2.9957 3.0377 3.2022 3.2335 3.3630 3.4020 3.5178 3.5850 3.7099 3.7152 6.3886 6.4051 7.3562 7.3890 8.0271 8.0594 8.8283 8.8286 9.7071 9.7225 9.8447 9.8568 k = 0.3594 0.2539 0.7720 ( 11501 PWs) bands (ev): -8.1823 -8.1815 -8.1526 -8.1520 -8.1508 -8.1504 -8.1345 -8.1337 -4.4056 -4.4028 -4.3883 -4.3865 -3.7586 -3.7563 -3.7260 -3.7244 -3.7081 -3.7062 -0.5279 -0.5134 -0.0305 -0.0119 0.0480 0.0528 0.2962 0.3000 0.3029 0.3107 0.4089 0.4430 0.5869 0.6333 0.6993 0.7454 0.8776 0.9052 1.0303 1.0575 1.1109 1.1257 1.2566 1.2766 1.3728 1.4291 1.4702 1.5050 2.4563 2.4564 2.5759 2.6075 2.8909 2.9373 3.0006 3.0339 3.2018 3.2365 3.3812 3.4190 3.5025 3.5762 3.7176 3.7248 6.3903 6.4069 7.3203 7.3567 8.0877 8.1261 8.8433 8.8451 9.6816 9.6957 9.8218 9.8343 k = 0.3750 0.2649 0.7585 ( 11501 PWs) bands (ev): -8.1836 -8.1826 -8.1522 -8.1515 -8.1502 -8.1495 -8.1347 -8.1339 -4.4058 -4.4027 -4.3885 -4.3865 -3.7588 -3.7563 -3.7263 -3.7244 -3.7084 -3.7060 -0.5270 -0.5103 -0.0349 -0.0119 0.0488 0.0549 0.2961 0.2991 0.3032 0.3129 0.4020 0.4437 0.5816 0.6423 0.7065 0.7577 0.8672 0.9078 1.0299 1.0589 1.1136 1.1240 1.2655 1.2893 1.3702 1.4312 1.4851 1.5251 2.4215 2.4291 2.5528 2.5913 2.8931 2.9256 3.0030 3.0285 3.2036 3.2406 3.3981 3.4314 3.4879 3.5655 3.7249 3.7337 6.3940 6.4099 7.2900 7.3294 8.1463 8.1910 8.8600 8.8644 9.6518 9.6649 9.7987 9.8119 k = 0.3906 0.2759 0.7450 ( 11503 PWs) bands (ev): -8.1846 -8.1834 -8.1519 -8.1510 -8.1494 -8.1486 -8.1352 -8.1346 -4.4061 -4.4027 -4.3888 -4.3864 -3.7591 -3.7565 -3.7266 -3.7244 -3.7086 -3.7058 -0.5259 -0.5071 -0.0390 -0.0117 0.0492 0.0565 0.2961 0.2980 0.3035 0.3152 0.3957 0.4442 0.5773 0.6530 0.7129 0.7690 0.8572 0.9120 1.0300 1.0603 1.1174 1.1234 1.2730 1.2994 1.3680 1.4333 1.5023 1.5461 2.3878 2.4036 2.5305 2.5758 2.8942 2.9116 3.0034 3.0221 3.2072 3.2453 3.4129 3.4347 3.4787 3.5531 3.7309 3.7413 6.4002 6.4144 7.2653 7.3072 8.2021 8.2534 8.8784 8.8860 9.6179 9.6304 9.7742 9.7889 k = 0.4062 0.2870 0.7315 ( 11501 PWs) bands (ev): -8.1854 -8.1840 -8.1517 -8.1508 -8.1484 -8.1474 -8.1360 -8.1355 -4.4063 -4.4026 -4.3891 -4.3863 -3.7593 -3.7566 -3.7270 -3.7244 -3.7089 -3.7057 -0.5246 -0.5038 -0.0426 -0.0112 0.0492 0.0576 0.2963 0.2966 0.3038 0.3177 0.3901 0.4446 0.5743 0.6651 0.7184 0.7790 0.8481 0.9177 1.0308 1.0618 1.1218 1.1236 1.2793 1.3070 1.3662 1.4356 1.5210 1.5674 2.3557 2.3807 2.5096 2.5614 2.8937 2.8954 3.0025 3.0154 3.2118 3.2498 3.4246 3.4252 3.4794 3.5398 3.7350 3.7467 6.4092 6.4211 7.2464 7.2903 8.2541 8.3121 8.8982 8.9097 9.5800 9.5926 9.7471 9.7640 k = 0.4219 0.2980 0.7180 ( 11503 PWs) bands (ev): -8.1860 -8.1844 -8.1520 -8.1509 -8.1473 -8.1461 -8.1369 -8.1363 -4.4066 -4.4027 -4.3894 -4.3863 -3.7596 -3.7569 -3.7273 -3.7244 -3.7092 -3.7055 -0.5232 -0.5005 -0.0456 -0.0105 0.0491 0.0581 0.2950 0.2967 0.3042 0.3202 0.3855 0.4447 0.5727 0.6781 0.7227 0.7873 0.8404 0.9247 1.0323 1.0634 1.1249 1.1266 1.2848 1.3124 1.3649 1.4380 1.5405 1.5884 2.3262 2.3610 2.4907 2.5487 2.8770 2.8910 3.0008 3.0090 3.2169 3.2537 3.4065 3.4342 3.4849 3.5261 3.7369 3.7495 6.4209 6.4301 7.2333 7.2789 8.3015 8.3661 8.9189 8.9350 9.5383 9.5518 9.7160 9.7351 k = 0.4375 0.3090 0.7045 ( 11503 PWs) bands (ev): -8.1864 -8.1845 -8.1530 -8.1516 -8.1460 -8.1447 -8.1374 -8.1369 -4.4068 -4.4027 -4.3897 -4.3862 -3.7598 -3.7571 -3.7277 -3.7245 -3.7095 -3.7054 -0.5216 -0.4972 -0.0479 -0.0096 0.0488 0.0580 0.2932 0.2970 0.3047 0.3227 0.3819 0.4444 0.5727 0.6910 0.7256 0.7939 0.8351 0.9328 1.0344 1.0650 1.1274 1.1313 1.2894 1.3159 1.3642 1.4407 1.5596 1.6081 2.3000 2.3451 2.4741 2.5381 2.8568 2.8858 2.9986 3.0033 3.2217 3.2564 3.3852 3.4392 3.4909 3.5129 3.7362 3.7496 6.4352 6.4415 7.2258 7.2730 8.3432 8.4143 8.9401 8.9615 9.4928 9.5084 9.6797 9.7008 k = 0.4531 0.3201 0.6910 ( 11503 PWs) bands (ev): -8.1868 -8.1846 -8.1547 -8.1530 -8.1446 -8.1431 -8.1374 -8.1370 -4.4071 -4.4027 -4.3900 -4.3862 -3.7601 -3.7574 -3.7281 -3.7245 -3.7098 -3.7053 -0.5199 -0.4940 -0.0493 -0.0086 0.0484 0.0575 0.2913 0.2973 0.3055 0.3252 0.3794 0.4437 0.5740 0.7027 0.7271 0.7987 0.8332 0.9417 1.0370 1.0666 1.1314 1.1360 1.2934 1.3177 1.3641 1.4438 1.5773 1.6259 2.2778 2.3333 2.4601 2.5299 2.8350 2.8776 2.9958 2.9986 3.2257 3.2572 3.3627 3.4394 3.4958 3.5014 3.7332 3.7475 6.4517 6.4551 7.2240 7.2728 8.3782 8.4553 8.9610 8.9887 9.4441 9.4628 9.6381 9.6601 k = 0.4688 0.3311 0.6774 ( 11503 PWs) bands (ev): -8.1874 -8.1848 -8.1571 -8.1551 -8.1430 -8.1413 -8.1368 -8.1364 -4.4073 -4.4028 -4.3902 -4.3862 -3.7603 -3.7577 -3.7284 -3.7245 -3.7101 -3.7052 -0.5181 -0.4909 -0.0498 -0.0073 0.0481 0.0565 0.2893 0.2972 0.3067 0.3275 0.3780 0.4427 0.5765 0.7114 0.7274 0.8019 0.8359 0.9510 1.0397 1.0679 1.1373 1.1405 1.2970 1.3181 1.3646 1.4473 1.5925 1.6412 2.2603 2.3260 2.4488 2.5241 2.8122 2.8666 2.9925 2.9951 3.2283 3.2557 3.3397 3.4339 3.4924 3.4992 3.7285 3.7436 6.4698 6.4707 7.2279 7.2786 8.4056 8.4880 8.9805 9.0159 9.3925 9.4160 9.5917 9.6142 k = 0.4844 0.3422 0.6639 ( 11501 PWs) bands (ev): -8.1884 -8.1855 -8.1595 -8.1574 -8.1413 -8.1395 -8.1357 -8.1354 -4.4075 -4.4029 -4.3905 -4.3862 -3.7605 -3.7581 -3.7288 -3.7245 -3.7104 -3.7052 -0.5162 -0.4879 -0.0492 -0.0060 0.0482 0.0552 0.2873 0.2968 0.3085 0.3296 0.3777 0.4413 0.5801 0.7152 0.7274 0.8037 0.8443 0.9602 1.0422 1.0688 1.1447 1.1451 1.3004 1.3177 1.3660 1.4515 1.6043 1.6534 2.2482 2.3232 2.4401 2.5208 2.7889 2.8529 2.9884 2.9922 3.2291 3.2510 3.3173 3.4231 3.4858 3.5006 3.7230 3.7391 6.4875 6.4886 7.2373 7.2904 8.4243 8.5110 8.9973 9.0423 9.3389 9.3694 9.5425 9.5655 k = 0.5000 0.3532 0.6504 ( 11498 PWs) bands (ev): -8.1902 -8.1872 -8.1615 -8.1593 -8.1395 -8.1375 -8.1343 -8.1340 -4.4078 -4.4031 -4.3907 -4.3862 -3.7607 -3.7585 -3.7292 -3.7245 -3.7107 -3.7052 -0.5142 -0.4851 -0.0475 -0.0047 0.0487 0.0536 0.2853 0.2960 0.3109 0.3315 0.3784 0.4397 0.5846 0.7137 0.7275 0.8042 0.8581 0.9689 1.0443 1.0692 1.1487 1.1553 1.3036 1.3164 1.3683 1.4565 1.6121 1.6623 2.2418 2.3245 2.4341 2.5197 2.7657 2.8367 2.9833 2.9897 3.2275 3.2425 3.2963 3.4088 3.4799 3.4995 3.7177 3.7353 6.5050 6.5074 7.2523 7.3081 8.4337 8.5232 9.0093 9.0665 9.2848 9.3252 9.4929 9.5172 k = 0.5000 0.3532 0.6504 ( 11498 PWs) bands (ev): -8.1902 -8.1872 -8.1615 -8.1593 -8.1395 -8.1375 -8.1343 -8.1340 -4.4078 -4.4031 -4.3907 -4.3862 -3.7607 -3.7585 -3.7292 -3.7245 -3.7107 -3.7052 -0.5142 -0.4851 -0.0475 -0.0047 0.0487 0.0536 0.2853 0.2960 0.3109 0.3315 0.3784 0.4397 0.5846 0.7137 0.7275 0.8042 0.8581 0.9689 1.0443 1.0692 1.1487 1.1553 1.3036 1.3164 1.3683 1.4565 1.6121 1.6623 2.2418 2.3245 2.4341 2.5197 2.7657 2.8367 2.9833 2.9897 3.2275 3.2425 3.2963 3.4088 3.4799 3.4995 3.7177 3.7353 6.5050 6.5074 7.2523 7.3081 8.4337 8.5232 9.0093 9.0665 9.2848 9.3252 9.4929 9.5172 k = 0.5000 0.3532 0.6263 ( 11504 PWs) bands (ev): -8.1947 -8.1918 -8.1644 -8.1623 -8.1359 -8.1336 -8.1312 -8.1310 -4.4082 -4.4034 -4.3911 -4.3862 -3.7611 -3.7592 -3.7298 -3.7246 -3.7111 -3.7052 -0.5105 -0.4805 -0.0429 -0.0028 0.0502 0.0507 0.2818 0.2940 0.3162 0.3344 0.3810 0.4361 0.5937 0.7066 0.7269 0.8033 0.8883 0.9828 1.0484 1.0692 1.1562 1.1771 1.3101 1.3136 1.3749 1.4666 1.6226 1.6752 2.2350 2.3303 2.4252 2.5194 2.7244 2.8057 2.9721 2.9848 3.2146 3.2223 3.2685 3.3803 3.4695 3.4950 3.7090 3.7295 6.5363 6.5405 7.2851 7.3462 8.4393 8.5314 9.0119 9.1008 9.1930 9.2619 9.4045 9.4307 k = 0.5000 0.3532 0.6022 ( 11494 PWs) bands (ev): -8.1996 -8.1967 -8.1676 -8.1657 -8.1320 -8.1295 -8.1276 -8.1276 -4.4085 -4.4038 -4.3915 -4.3862 -3.7614 -3.7600 -3.7305 -3.7247 -3.7116 -3.7052 -0.5072 -0.4769 -0.0369 -0.0019 0.0464 0.0540 0.2783 0.2915 0.3226 0.3372 0.3845 0.4316 0.6037 0.6986 0.7262 0.8011 0.9201 0.9953 1.0540 1.0688 1.1650 1.2010 1.3115 1.3183 1.3849 1.4778 1.6338 1.6886 2.2274 2.3359 2.4162 2.5186 2.6826 2.7741 2.9589 2.9792 3.1727 3.2162 3.2533 3.3515 3.4594 3.4904 3.7000 3.7233 6.5673 6.5736 7.3205 7.3866 8.4395 8.5324 8.9793 9.0707 9.1590 9.2289 9.3175 9.3425 k = 0.5000 0.3532 0.5781 ( 11482 PWs) bands (ev): -8.2048 -8.2020 -8.1712 -8.1694 -8.1279 -8.1251 -8.1237 -8.1237 -4.4089 -4.4043 -4.3917 -4.3862 -3.7616 -3.7610 -3.7313 -3.7248 -3.7119 -3.7052 -0.5044 -0.4746 -0.0296 -0.0019 0.0421 0.0586 0.2745 0.2886 0.3299 0.3397 0.3890 0.4267 0.6137 0.6898 0.7254 0.7977 0.9526 1.0070 1.0607 1.0680 1.1755 1.2253 1.3108 1.3282 1.3994 1.4902 1.6457 1.7024 2.2189 2.3412 2.4070 2.5173 2.6413 2.7427 2.9436 2.9724 3.1262 3.2084 3.2424 3.3246 3.4492 3.4857 3.6908 3.7167 6.5972 6.6059 7.3582 7.4288 8.4338 8.5256 8.9151 8.9803 9.1552 9.2010 9.2550 9.2743 k = 0.5000 0.3532 0.5541 ( 11486 PWs) bands (ev): -8.2104 -8.2076 -8.1751 -8.1733 -8.1235 -8.1205 -8.1194 -8.1194 -4.4092 -4.4050 -4.3920 -4.3862 -3.7620 -3.7618 -3.7321 -3.7249 -3.7122 -3.7052 -0.5024 -0.4736 -0.0212 -0.0026 0.0376 0.0643 0.2706 0.2853 0.3377 0.3419 0.3942 0.4217 0.6230 0.6804 0.7243 0.7936 0.9850 1.0182 1.0669 1.0682 1.1878 1.2477 1.3125 1.3399 1.4193 1.5038 1.6581 1.7166 2.2094 2.3458 2.3973 2.5156 2.6015 2.7118 2.9263 2.9636 3.0800 3.1969 3.2325 3.3021 3.4388 3.4810 3.6816 3.7097 6.6254 6.6366 7.3978 7.4725 8.4220 8.5114 8.8362 8.8863 9.0879 9.1238 9.2540 9.2636 k = 0.5000 0.3532 0.5300 ( 11492 PWs) bands (ev): -8.2161 -8.2134 -8.1792 -8.1775 -8.1189 -8.1157 -8.1149 -8.1148 -4.4096 -4.4057 -4.3922 -4.3862 -3.7632 -3.7620 -3.7329 -3.7250 -3.7125 -3.7052 -0.5013 -0.4740 -0.0118 -0.0039 0.0329 0.0710 0.2666 0.2817 0.3438 0.3460 0.4000 0.4168 0.6310 0.6706 0.7230 0.7892 1.0162 1.0289 1.0655 1.0766 1.2024 1.2658 1.3182 1.3538 1.4451 1.5185 1.6709 1.7313 2.1991 2.3492 2.3869 2.5134 2.5645 2.6819 2.9071 2.9506 3.0380 3.1802 3.2227 3.2863 3.4281 3.4766 3.6724 3.7025 6.6513 6.6653 7.4389 7.5170 8.4044 8.4902 8.7525 8.7937 8.9966 9.0289 9.2683 9.2692 k = 0.5000 0.3532 0.5059 ( 11492 PWs) bands (ev): -8.2220 -8.2194 -8.1834 -8.1819 -8.1141 -8.1108 -8.1101 -8.1101 -4.4099 -4.4065 -4.3923 -4.3861 -3.7643 -3.7620 -3.7336 -3.7251 -3.7127 -3.7052 -0.5011 -0.4759 -0.0056 -0.0017 0.0285 0.0784 0.2626 0.2778 0.3454 0.3543 0.4064 0.4123 0.6374 0.6609 0.7212 0.7849 1.0384 1.0441 1.0652 1.0864 1.2193 1.2781 1.3292 1.3699 1.4763 1.5342 1.6843 1.7465 2.1882 2.3511 2.3749 2.5108 2.5324 2.6530 2.8863 2.9290 3.0053 3.1582 3.2128 3.2776 3.4171 3.4726 3.6633 3.6951 6.6744 6.6912 7.4809 7.5619 8.3814 8.4628 8.6685 8.7038 8.9016 8.9317 9.2682 9.2785 k = 0.5000 0.3532 0.4818 ( 11512 PWs) bands (ev): -8.2280 -8.2255 -8.1879 -8.1864 -8.1091 -8.1059 -8.1051 -8.1051 -4.4102 -4.4074 -4.3924 -4.3860 -3.7656 -3.7621 -3.7344 -3.7253 -3.7129 -3.7052 -0.5021 -0.4793 -0.0075 0.0078 0.0252 0.0863 0.2584 0.2736 0.3465 0.3621 0.4083 0.4130 0.6420 0.6513 0.7189 0.7808 1.0461 1.0565 1.0773 1.0980 1.2385 1.2862 1.3448 1.3884 1.5116 1.5508 1.6982 1.7626 2.1770 2.3509 2.3598 2.5071 2.5079 2.6252 2.8641 2.8972 2.9847 3.1327 3.2026 3.2747 3.4057 3.4690 3.6546 3.6875 6.6942 6.7140 7.5233 7.6065 8.3535 8.4300 8.5863 8.6172 8.8066 8.8350 9.2584 9.2768 k = 0.5000 0.3532 0.4577 ( 11500 PWs) bands (ev): -8.2341 -8.2317 -8.1924 -8.1911 -8.1041 -8.1008 -8.1001 -8.1000 -4.4106 -4.4082 -4.3924 -4.3859 -3.7668 -3.7622 -3.7351 -3.7254 -3.7129 -3.7052 -0.5043 -0.4841 -0.0094 0.0122 0.0278 0.0946 0.2543 0.2692 0.3471 0.3689 0.4057 0.4200 0.6423 0.6447 0.7162 0.7771 1.0515 1.0552 1.1000 1.1118 1.2599 1.2930 1.3635 1.4093 1.5488 1.5682 1.7132 1.7798 2.1663 2.3396 2.3497 2.4904 2.5045 2.5985 2.8409 2.8601 2.9718 3.1055 3.1920 3.2757 3.3939 3.4663 3.6462 3.6799 6.7104 6.7330 7.5657 7.6503 8.3215 8.3927 8.5072 8.5344 8.7133 8.7402 9.2372 9.2627 k = 0.5000 0.3532 0.4336 ( 11498 PWs) bands (ev): -8.2402 -8.2379 -8.1970 -8.1958 -8.0990 -8.0958 -8.0949 -8.0947 -4.4109 -4.4092 -4.3922 -4.3857 -3.7680 -3.7622 -3.7358 -3.7255 -3.7130 -3.7051 -0.5077 -0.4903 -0.0114 0.0099 0.0376 0.1030 0.2502 0.2646 0.3472 0.3732 0.4052 0.4269 0.6340 0.6459 0.7130 0.7736 1.0520 1.0544 1.1211 1.1274 1.2826 1.3002 1.3844 1.4326 1.5856 1.5861 1.7297 1.7984 2.1565 2.3155 2.3465 2.4818 2.5006 2.5729 2.8174 2.8227 2.9622 3.0778 3.1811 3.2797 3.3817 3.4643 3.6383 3.6723 6.7226 6.7481 7.6075 7.6924 8.2860 8.3516 8.4322 8.4559 8.6223 8.6480 9.2046 9.2360 k = 0.5000 0.3532 0.4095 ( 11508 PWs) bands (ev): -8.2462 -8.2440 -8.2016 -8.2005 -8.0938 -8.0907 -8.0898 -8.0895 -4.4113 -4.4101 -4.3921 -4.3856 -3.7693 -3.7623 -3.7364 -3.7256 -3.7129 -3.7051 -0.5122 -0.4976 -0.0133 0.0060 0.0493 0.1115 0.2461 0.2599 0.3466 0.3739 0.4078 0.4338 0.6267 0.6458 0.7093 0.7703 1.0481 1.0551 1.1400 1.1441 1.3060 1.3088 1.4071 1.4576 1.6042 1.6196 1.7484 1.8187 2.1489 2.2884 2.3427 2.4795 2.4953 2.5488 2.7878 2.7940 2.9539 3.0502 3.1697 3.2858 3.3691 3.4633 3.6309 3.6647 6.7308 6.7588 7.6480 7.7323 8.2478 8.3072 8.3621 8.3821 8.5343 8.5590 9.1620 9.1979 k = 0.5000 0.3532 0.3854 ( 11518 PWs) bands (ev): -8.2522 -8.2501 -8.2062 -8.2051 -8.0887 -8.0856 -8.0846 -8.0842 -4.4117 -4.4111 -4.3918 -4.3854 -3.7705 -3.7625 -3.7368 -3.7258 -3.7128 -3.7051 -0.5178 -0.5059 -0.0151 0.0019 0.0615 0.1199 0.2421 0.2551 0.3453 0.3717 0.4129 0.4404 0.6206 0.6450 0.7052 0.7669 1.0437 1.0540 1.1570 1.1612 1.3194 1.3295 1.4316 1.4836 1.6225 1.6483 1.7698 1.8412 2.1445 2.2599 2.3388 2.4811 2.4865 2.5282 2.7564 2.7713 2.9463 3.0232 3.1579 3.2937 3.3562 3.4635 3.6242 3.6572 6.7347 6.7651 7.6868 7.7691 8.2077 8.2599 8.2980 8.3133 8.4498 8.4740 9.1113 9.1504 k = 0.5000 0.3532 0.3613 ( 11522 PWs) bands (ev): -8.2581 -8.2561 -8.2108 -8.2098 -8.0836 -8.0806 -8.0795 -8.0790 -4.4121 -4.4120 -4.3915 -4.3852 -3.7716 -3.7627 -3.7372 -3.7259 -3.7127 -3.7050 -0.5244 -0.5150 -0.0167 -0.0019 0.0736 0.1280 0.2382 0.2503 0.3432 0.3675 0.4191 0.4466 0.6159 0.6438 0.7008 0.7633 1.0391 1.0513 1.1724 1.1780 1.3324 1.3528 1.4577 1.5094 1.6408 1.6706 1.7933 1.8661 2.1447 2.2315 2.3350 2.4707 2.4850 2.5147 2.7292 2.7499 2.9389 2.9969 3.1456 3.3026 3.3432 3.4648 3.6183 3.6499 6.7345 6.7669 7.7231 7.8019 8.1663 8.2106 8.2402 8.2498 8.3691 8.3934 9.0547 9.0959 k = 0.5000 0.3532 0.3373 ( 11514 PWs) bands (ev): -8.2637 -8.2619 -8.2152 -8.2143 -8.0786 -8.0758 -8.0745 -8.0740 -4.4129 -4.4125 -4.3911 -4.3850 -3.7726 -3.7630 -3.7373 -3.7260 -3.7124 -3.7050 -0.5319 -0.5249 -0.0181 -0.0055 0.0855 0.1357 0.2345 0.2454 0.3403 0.3623 0.4256 0.4524 0.6128 0.6424 0.6961 0.7593 1.0342 1.0476 1.1867 1.1940 1.3477 1.3756 1.4850 1.5339 1.6594 1.6871 1.8166 1.8934 2.1509 2.2039 2.3313 2.4482 2.4902 2.5081 2.7063 2.7305 2.9317 2.9713 3.1328 3.3106 3.3321 3.4673 3.6132 3.6428 6.7303 6.7643 7.7563 7.8296 8.1246 8.1621 8.1873 8.1917 8.2926 8.3176 8.9946 9.0368 k = 0.5000 0.3532 0.3132 ( 11518 PWs) bands (ev): -8.2692 -8.2675 -8.2195 -8.2187 -8.0737 -8.0710 -8.0696 -8.0690 -4.4138 -4.4129 -4.3906 -4.3848 -3.7736 -3.7635 -3.7373 -3.7261 -3.7122 -3.7050 -0.5400 -0.5351 -0.0193 -0.0087 0.0971 0.1429 0.2308 0.2405 0.3367 0.3563 0.4320 0.4577 0.6110 0.6412 0.6912 0.7548 1.0293 1.0430 1.1999 1.2088 1.3652 1.3979 1.5132 1.5558 1.6781 1.6988 1.8374 1.9230 2.1636 2.1775 2.3278 2.4224 2.4959 2.5054 2.6876 2.7135 2.9246 2.9466 3.1195 3.3071 3.3329 3.4709 3.6089 3.6360 6.7223 6.7574 7.7855 7.8509 8.0838 8.1178 8.1373 8.1390 8.2205 8.2473 8.9329 8.9754 k = 0.5000 0.3532 0.2891 ( 11510 PWs) bands (ev): -8.2745 -8.2729 -8.2237 -8.2229 -8.0690 -8.0664 -8.0649 -8.0643 -4.4146 -4.4134 -4.3901 -4.3846 -3.7744 -3.7640 -3.7372 -3.7263 -3.7118 -3.7049 -0.5487 -0.5456 -0.0202 -0.0115 0.1082 0.1496 0.2274 0.2358 0.3325 0.3499 0.4381 0.4624 0.6107 0.6402 0.6862 0.7498 1.0245 1.0381 1.2123 1.2222 1.3847 1.4198 1.5417 1.5745 1.6971 1.7072 1.8541 1.9545 2.1528 2.1827 2.3243 2.3958 2.5017 2.5050 2.6726 2.6996 2.9177 2.9229 3.1057 3.2936 3.3441 3.4756 3.6057 3.6296 6.7110 6.7466 7.8098 7.8639 8.0454 8.0794 8.0903 8.0912 8.1532 8.1828 8.8715 8.9138 k = 0.5000 0.3532 0.2650 ( 11508 PWs) bands (ev): -8.2794 -8.2779 -8.2276 -8.2269 -8.0645 -8.0621 -8.0603 -8.0598 -4.4153 -4.4138 -4.3895 -4.3844 -3.7751 -3.7647 -3.7369 -3.7264 -3.7115 -3.7049 -0.5577 -0.5562 -0.0209 -0.0139 0.1188 0.1557 0.2242 0.2310 0.3279 0.3432 0.4438 0.4666 0.6115 0.6393 0.6812 0.7442 1.0199 1.0329 1.2239 1.2344 1.4057 1.4410 1.5697 1.5897 1.7131 1.7162 1.8667 1.9868 2.1300 2.2066 2.3206 2.3693 2.5065 2.5074 2.6613 2.6890 2.9004 2.9110 3.0914 3.2777 3.3576 3.4811 3.6033 3.6237 6.6969 6.7325 7.8275 7.8669 8.0110 8.0377 8.0483 8.0572 8.0908 8.1246 8.8120 8.8536 k = 0.5000 0.3532 0.2409 ( 11504 PWs) bands (ev): -8.2841 -8.2827 -8.2313 -8.2307 -8.0603 -8.0580 -8.0561 -8.0556 -4.4160 -4.4143 -4.3890 -4.3842 -3.7757 -3.7655 -3.7364 -3.7266 -3.7111 -3.7049 -0.5668 -0.5666 -0.0214 -0.0160 0.1288 0.1611 0.2212 0.2264 0.3230 0.3364 0.4491 0.4702 0.6134 0.6387 0.6762 0.7381 1.0156 1.0278 1.2348 1.2453 1.4276 1.4618 1.5962 1.6017 1.7177 1.7348 1.8759 2.0184 2.1101 2.2331 2.3166 2.3437 2.5097 2.5130 2.6531 2.6819 2.8791 2.9046 3.0768 3.2605 3.3721 3.4872 3.6020 3.6184 6.6806 6.7155 7.8368 7.8600 7.9815 7.9920 8.0113 8.0341 8.0383 8.0735 8.7556 8.7963 k = 0.5000 0.3532 0.2168 ( 11494 PWs) bands (ev): -8.2883 -8.2871 -8.2348 -8.2342 -8.0563 -8.0542 -8.0521 -8.0516 -4.4166 -4.4148 -4.3884 -4.3841 -3.7762 -3.7663 -3.7359 -3.7268 -3.7106 -3.7049 -0.5766 -0.5759 -0.0218 -0.0176 0.1382 0.1658 0.2183 0.2219 0.3181 0.3297 0.4539 0.4733 0.6161 0.6382 0.6714 0.7315 1.0118 1.0230 1.2449 1.2551 1.4499 1.4819 1.6108 1.6200 1.7221 1.7525 1.8830 2.0442 2.0972 2.2593 2.3123 2.3199 2.5147 2.5187 2.6482 2.6780 2.8596 2.8988 3.0620 3.2423 3.3869 3.4935 3.6016 3.6139 6.6628 6.6964 7.8363 7.8457 7.9478 7.9529 7.9799 7.9887 8.0177 8.0376 8.7033 8.7431 k = 0.5000 0.3532 0.1927 ( 11482 PWs) bands (ev): -8.2923 -8.2912 -8.2379 -8.2374 -8.0526 -8.0507 -8.0485 -8.0480 -4.4171 -4.4152 -4.3878 -4.3839 -3.7765 -3.7673 -3.7353 -3.7270 -3.7101 -3.7049 -0.5861 -0.5847 -0.0219 -0.0189 0.1470 0.1699 0.2157 0.2176 0.3133 0.3233 0.4583 0.4758 0.6195 0.6379 0.6668 0.7244 1.0085 1.0187 1.2543 1.2638 1.4723 1.5012 1.6176 1.6391 1.7282 1.7686 1.8889 2.0495 2.1048 2.2804 2.3008 2.3077 2.5212 2.5250 2.6463 2.6767 2.8421 2.8936 3.0474 3.2231 3.4018 3.4994 3.6022 3.6104 6.6442 6.6759 7.8272 7.8278 7.9063 7.9198 7.9387 7.9746 7.9807 8.0269 8.6559 8.6949 k = 0.5000 0.3532 0.1686 ( 11494 PWs) bands (ev): -8.2958 -8.2948 -8.2408 -8.2404 -8.0493 -8.0476 -8.0452 -8.0447 -4.4175 -4.4157 -4.3872 -4.3838 -3.7768 -3.7682 -3.7347 -3.7273 -3.7097 -3.7049 -0.5949 -0.5930 -0.0220 -0.0199 0.1551 0.1734 0.2133 0.2134 0.3087 0.3172 0.4622 0.4777 0.6234 0.6377 0.6625 0.7170 1.0058 1.0148 1.2627 1.2713 1.4940 1.5196 1.6225 1.6519 1.7375 1.7829 1.8943 2.0378 2.1281 2.2732 2.3034 2.3085 2.5288 2.5320 2.6474 2.6772 2.8273 2.8891 3.0333 3.2028 3.4163 3.5044 3.6035 3.6082 6.6258 6.6549 7.8093 7.8130 7.8686 7.8834 7.9052 7.9449 7.9702 8.0206 8.6137 8.6523 k = 0.5000 0.3532 0.1445 ( 11498 PWs) bands (ev): -8.2988 -8.2980 -8.2433 -8.2429 -8.0463 -8.0449 -8.0423 -8.0418 -4.4178 -4.4162 -4.3867 -4.3838 -3.7768 -3.7692 -3.7340 -3.7276 -3.7092 -3.7050 -0.6028 -0.6007 -0.0220 -0.0206 0.1626 0.1764 0.2094 0.2109 0.3046 0.3116 0.4658 0.4792 0.6277 0.6375 0.6586 0.7094 1.0036 1.0115 1.2703 1.2778 1.5148 1.5369 1.6261 1.6582 1.7502 1.7950 1.8997 2.0229 2.1521 2.2562 2.3002 2.3237 2.5368 2.5397 2.6512 2.6785 2.8159 2.8854 3.0207 3.1815 3.4302 3.5080 3.6056 3.6073 6.6081 6.6343 7.7919 7.7974 7.8352 7.8485 7.8782 7.9131 7.9687 8.0140 8.5766 8.6151 k = 0.5000 0.3532 0.1204 ( 11504 PWs) bands (ev): -8.3015 -8.3008 -8.2454 -8.2451 -8.0438 -8.0425 -8.0397 -8.0394 -4.4181 -4.4166 -4.3862 -4.3838 -3.7768 -3.7702 -3.7334 -3.7279 -3.7087 -3.7051 -0.6097 -0.6076 -0.0219 -0.0211 0.1694 0.1790 0.2056 0.2086 0.3009 0.3066 0.4688 0.4801 0.6322 0.6376 0.6552 0.7015 1.0020 1.0086 1.2770 1.2834 1.5341 1.5529 1.6284 1.6594 1.7646 1.8047 1.9054 2.0080 2.1721 2.2409 2.2993 2.3349 2.5445 2.5479 2.6567 2.6795 2.8088 2.8819 3.0107 3.1593 3.4432 3.5098 3.6077 3.6080 6.5922 6.6147 7.7767 7.7826 7.8067 7.8180 7.8559 7.8855 7.9679 8.0064 8.5444 8.5824 k = 0.5000 0.3532 0.0964 ( 11500 PWs) bands (ev): -8.3036 -8.3031 -8.2472 -8.2470 -8.0416 -8.0406 -8.0376 -8.0373 -4.4183 -4.4170 -4.3857 -4.3838 -3.7766 -3.7712 -3.7327 -3.7283 -3.7082 -3.7053 -0.6154 -0.6136 -0.0218 -0.0213 0.1756 0.1814 0.2021 0.2063 0.2980 0.3024 0.4716 0.4806 0.6369 0.6377 0.6525 0.6937 1.0010 1.0063 1.2826 1.2878 1.5515 1.5671 1.6300 1.6573 1.7789 1.8120 1.9117 1.9937 2.1865 2.2283 2.3017 2.3417 2.5515 2.5558 2.6628 2.6797 2.8066 2.8776 3.0052 3.1363 3.4553 3.5096 3.6092 3.6105 6.5785 6.5971 7.7642 7.7696 7.7833 7.7924 7.8381 7.8622 7.9671 7.9982 8.5171 8.5521 k = 0.5000 0.3532 0.0723 ( 11516 PWs) bands (ev): -8.3053 -8.3049 -8.2486 -8.2484 -8.0399 -8.0391 -8.0360 -8.0357 -4.4184 -4.4174 -4.3853 -4.3839 -3.7763 -3.7722 -3.7320 -3.7287 -3.7077 -3.7055 -0.6199 -0.6184 -0.0217 -0.0215 0.1811 0.1835 0.1988 0.2038 0.2957 0.2989 0.4739 0.4807 0.6380 0.6408 0.6513 0.6860 1.0004 1.0044 1.2872 1.2911 1.5666 1.5792 1.6309 1.6533 1.7917 1.8168 1.9187 1.9802 2.1952 2.2184 2.3076 2.3444 2.5577 2.5626 2.6681 2.6789 2.8094 2.8713 3.0058 3.1129 3.4663 3.5076 3.6113 3.6129 6.5678 6.5820 7.7545 7.7589 7.7653 7.7723 7.8247 7.8432 7.9664 7.9898 8.4950 8.5229 k = 0.5000 0.3532 0.0482 ( 11504 PWs) bands (ev): -8.3065 -8.3062 -8.2496 -8.2495 -8.0386 -8.0381 -8.0347 -8.0346 -4.4183 -4.4177 -4.3849 -4.3839 -3.7758 -3.7730 -3.7314 -3.7292 -3.7072 -3.7058 -0.6231 -0.6220 -0.0216 -0.0215 0.1856 0.1861 0.1958 0.2011 0.2942 0.2963 0.4759 0.4804 0.6386 0.6422 0.6533 0.6785 1.0002 1.0029 1.2907 1.2933 1.5790 1.5884 1.6319 1.6483 1.8023 1.8190 1.9265 1.9676 2.1995 2.2112 2.3159 2.3435 2.5631 2.5675 2.6720 2.6776 2.8164 2.8622 3.0133 3.0894 3.4761 3.5040 3.6134 3.6147 6.5605 6.5701 7.7479 7.7508 7.7527 7.7575 7.8161 7.8286 7.9665 7.9821 8.4791 8.4977 k = 0.5000 0.3532 0.0241 ( 11492 PWs) bands (ev): -8.3072 -8.3071 -8.2502 -8.2501 -8.0378 -8.0375 -8.0340 -8.0339 -4.4183 -4.4179 -4.3846 -4.3841 -3.7753 -3.7738 -3.7307 -3.7296 -3.7068 -3.7061 -0.6249 -0.6243 -0.0215 -0.0215 0.1878 0.1901 0.1934 0.1981 0.2935 0.2945 0.4776 0.4798 0.6394 0.6416 0.6583 0.6713 1.0004 1.0018 1.2931 1.2944 1.5880 1.5933 1.6340 1.6429 1.8104 1.8188 1.9354 1.9559 2.2017 2.2064 2.3250 2.3396 2.5672 2.5699 2.6743 2.6765 2.8266 2.8509 3.0270 3.0665 3.4849 3.4988 3.6150 3.6158 6.5569 6.5618 7.7440 7.7453 7.7458 7.7484 7.8122 7.8185 7.9678 7.9756 8.4707 8.4799 k = 0.5000 0.3532-0.0000 ( 11480 PWs) bands (ev): -8.3074 -8.3074 -8.2503 -8.2503 -8.0374 -8.0374 -8.0337 -8.0337 -4.4181 -4.4181 -4.3843 -4.3843 -3.7746 -3.7746 -3.7302 -3.7302 -3.7064 -3.7064 -0.6253 -0.6253 -0.0215 -0.0215 0.1900 0.1900 0.1949 0.1949 0.2936 0.2936 0.4789 0.4789 0.6405 0.6405 0.6644 0.6644 1.0010 1.0010 1.2944 1.2944 1.5931 1.5931 1.6377 1.6377 1.8159 1.8159 1.9451 1.9451 2.2035 2.2035 2.3332 2.3332 2.5697 2.5697 2.6755 2.6755 2.8386 2.8386 3.0453 3.0453 3.4925 3.4925 3.6159 3.6159 6.5573 6.5573 7.7428 7.7428 7.7447 7.7447 7.8130 7.8130 7.9708 7.9708 8.4708 8.4708 k = 0.0000 0.0000 0.8666 ( 11524 PWs) bands (ev): -8.1723 -8.1723 -8.1552 -8.1552 -8.1505 -8.1505 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7252 -3.7252 -3.7065 -3.7065 -0.5294 -0.5294 -0.0403 -0.0403 0.0573 0.0573 0.3025 0.3025 0.3054 0.3054 0.4015 0.4015 0.6204 0.6204 0.7593 0.7593 0.8197 0.8197 1.0613 1.0613 1.0998 1.0998 1.3062 1.3062 1.3929 1.3929 1.5794 1.5794 2.2810 2.2810 2.4975 2.4975 2.9873 2.9873 3.0212 3.0212 3.2717 3.2717 3.5106 3.5106 3.5647 3.5647 3.7610 3.7610 6.3271 6.3271 7.1177 7.1177 8.3513 8.3513 8.8204 8.8204 9.8163 9.8163 9.9436 9.9436 k = 0.0192 0.0136 0.8666 ( 11536 PWs) bands (ev): -8.1723 -8.1723 -8.1552 -8.1552 -8.1505 -8.1505 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7252 -3.7252 -3.7065 -3.7065 -0.5294 -0.5294 -0.0400 -0.0400 0.0571 0.0571 0.3025 0.3025 0.3053 0.3053 0.4019 0.4019 0.6200 0.6200 0.7586 0.7586 0.8208 0.8208 1.0612 1.0612 1.0997 1.0997 1.3054 1.3054 1.3929 1.3929 1.5765 1.5765 2.2855 2.2855 2.4999 2.4999 2.9870 2.9870 3.0210 3.0210 3.2707 3.2707 3.5084 3.5084 3.5649 3.5649 3.7598 3.7598 6.3281 6.3281 7.1216 7.1216 8.3449 8.3449 8.8200 8.8200 9.8159 9.8159 9.9430 9.9430 k = 0.0385 0.0272 0.8666 ( 11536 PWs) bands (ev): -8.1723 -8.1723 -8.1552 -8.1552 -8.1506 -8.1506 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7252 -3.7252 -3.7065 -3.7065 -0.5294 -0.5294 -0.0389 -0.0389 0.0566 0.0566 0.3023 0.3023 0.3051 0.3051 0.4034 0.4034 0.6189 0.6189 0.7564 0.7564 0.8242 0.8242 1.0608 1.0608 1.0992 1.0992 1.3033 1.3033 1.3931 1.3931 1.5679 1.5679 2.2986 2.2986 2.5071 2.5071 2.9861 2.9861 3.0204 3.0204 3.2676 3.2676 3.5019 3.5019 3.5655 3.5655 3.7564 3.7564 6.3311 6.3311 7.1332 7.1332 8.3262 8.3262 8.8188 8.8188 9.8154 9.8154 9.9395 9.9395 k = 0.0577 0.0408 0.8666 ( 11536 PWs) bands (ev): -8.1723 -8.1723 -8.1551 -8.1551 -8.1506 -8.1506 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7252 -3.7252 -3.7066 -3.7066 -0.5293 -0.5293 -0.0371 -0.0371 0.0557 0.0557 0.3022 0.3022 0.3047 0.3047 0.4059 0.4059 0.6173 0.6173 0.7524 0.7524 0.8300 0.8300 1.0601 1.0601 1.0986 1.0986 1.2995 1.2995 1.3935 1.3935 1.5547 1.5547 2.3194 2.3194 2.5187 2.5187 2.9844 2.9844 3.0194 3.0194 3.2627 3.2627 3.4913 3.4913 3.5665 3.5665 3.7510 3.7510 6.3359 6.3359 7.1523 7.1523 8.2959 8.2959 8.8169 8.8169 9.8159 9.8159 9.9305 9.9305 k = 0.0769 0.0543 0.8666 ( 11526 PWs) bands (ev): -8.1723 -8.1723 -8.1550 -8.1550 -8.1507 -8.1507 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7251 -3.7251 -3.7066 -3.7066 -0.5292 -0.5292 -0.0347 -0.0347 0.0545 0.0545 0.3019 0.3019 0.3044 0.3044 0.4091 0.4091 0.6155 0.6155 0.7465 0.7465 0.8380 0.8380 1.0590 1.0590 1.0984 1.0984 1.2940 1.2940 1.3941 1.3941 1.5382 1.5382 2.3466 2.3466 2.5342 2.5342 2.9817 2.9817 3.0181 3.0181 3.2563 3.2563 3.4769 3.4769 3.5678 3.5678 3.7439 3.7439 6.3422 6.3422 7.1787 7.1787 8.2554 8.2554 8.8142 8.8142 9.8183 9.8183 9.9160 9.9160 k = 0.0962 0.0679 0.8666 ( 11526 PWs) bands (ev): -8.1723 -8.1723 -8.1548 -8.1548 -8.1509 -8.1509 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7251 -3.7251 -3.7067 -3.7067 -0.5291 -0.5291 -0.0318 -0.0318 0.0530 0.0530 0.3016 0.3016 0.3040 0.3040 0.4130 0.4130 0.6138 0.6138 0.7389 0.7389 0.8478 0.8478 1.0575 1.0575 1.0989 1.0989 1.2865 1.2865 1.3948 1.3948 1.5199 1.5199 2.3787 2.3787 2.5528 2.5528 2.9775 2.9775 3.0166 3.0166 3.2490 3.2490 3.4591 3.4591 3.5693 3.5693 3.7357 3.7357 6.3496 6.3496 7.2121 7.2121 8.2061 8.2061 8.8110 8.8110 9.8226 9.8226 9.8989 9.8989 k = 0.1154 0.0815 0.8666 ( 11524 PWs) bands (ev): -8.1723 -8.1723 -8.1547 -8.1547 -8.1510 -8.1510 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7250 -3.7250 -3.7068 -3.7068 -0.5290 -0.5290 -0.0284 -0.0284 0.0512 0.0512 0.3013 0.3013 0.3036 0.3036 0.4174 0.4174 0.6126 0.6126 0.7297 0.7297 0.8589 0.8589 1.0554 1.0554 1.1004 1.1004 1.2769 1.2769 1.3956 1.3956 1.5013 1.5013 2.4144 2.4144 2.5737 2.5737 2.9713 2.9713 3.0151 3.0151 3.2414 3.2414 3.4384 3.4384 3.5710 3.5710 3.7268 3.7268 6.3579 6.3579 7.2519 7.2519 8.1497 8.1497 8.8073 8.8073 9.8270 9.8270 9.8835 9.8835 k = 0.1346 0.0951 0.8666 ( 11520 PWs) bands (ev): -8.1723 -8.1723 -8.1545 -8.1545 -8.1512 -8.1512 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7249 -3.7249 -3.7069 -3.7069 -0.5288 -0.5288 -0.0248 -0.0248 0.0491 0.0491 0.3009 0.3009 0.3032 0.3032 0.4221 0.4221 0.6120 0.6120 0.7192 0.7192 0.8708 0.8708 1.0531 1.0531 1.1033 1.1033 1.2649 1.2649 1.3968 1.3968 1.4836 1.4836 2.4521 2.4521 2.5958 2.5958 2.9626 2.9626 3.0138 3.0138 3.2347 3.2347 3.4153 3.4153 3.5729 3.5729 3.7178 3.7178 6.3663 6.3663 7.2977 7.2977 8.0876 8.0876 8.8032 8.8032 9.8267 9.8267 9.8767 9.8767 k = 0.1538 0.1087 0.8666 ( 11514 PWs) bands (ev): -8.1722 -8.1722 -8.1543 -8.1543 -8.1514 -8.1514 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7248 -3.7248 -3.7069 -3.7069 -0.5287 -0.5287 -0.0210 -0.0210 0.0469 0.0469 0.3006 0.3006 0.3029 0.3029 0.4268 0.4268 0.6123 0.6123 0.7080 0.7080 0.8829 0.8829 1.0505 1.0505 1.1079 1.1079 1.2507 1.2507 1.3982 1.3982 1.4676 1.4676 2.4905 2.4905 2.6179 2.6179 2.9513 2.9513 3.0127 3.0127 3.2297 3.2297 3.3906 3.3906 3.5749 3.5749 3.7092 3.7092 6.3746 6.3746 7.3489 7.3489 8.0213 8.0213 8.7991 8.7991 9.8184 9.8184 9.8829 9.8829 k = 0.1731 0.1223 0.8666 ( 11506 PWs) bands (ev): -8.1722 -8.1722 -8.1540 -8.1540 -8.1517 -8.1517 -8.1402 -8.1402 -4.4040 -4.4040 -4.3872 -4.3872 -3.7570 -3.7570 -3.7248 -3.7248 -3.7070 -3.7070 -0.5286 -0.5286 -0.0173 -0.0173 0.0447 0.0447 0.3003 0.3003 0.3026 0.3026 0.4312 0.4312 0.6138 0.6138 0.6966 0.6966 0.8943 0.8943 1.0480 1.0480 1.1144 1.1144 1.2346 1.2346 1.3998 1.3998 1.4540 1.4540 2.5279 2.5279 2.6386 2.6386 2.9374 2.9374 3.0119 3.0119 3.2275 3.2275 3.3652 3.3652 3.5768 3.5768 3.7013 3.7013 6.3821 6.3821 7.4051 7.4051 7.9520 7.9520 8.7952 8.7952 9.8068 9.8068 9.8979 9.8979 k = 0.1923 0.1358 0.8666 ( 11488 PWs) bands (ev): -8.1722 -8.1722 -8.1538 -8.1538 -8.1519 -8.1519 -8.1403 -8.1403 -4.4039 -4.4039 -4.3871 -4.3871 -3.7570 -3.7570 -3.7247 -3.7247 -3.7071 -3.7071 -0.5285 -0.5285 -0.0140 -0.0140 0.0425 0.0425 0.3001 0.3001 0.3023 0.3023 0.4350 0.4350 0.6163 0.6163 0.6855 0.6855 0.9044 0.9044 1.0457 1.0457 1.1230 1.1230 1.2172 1.2172 1.4018 1.4018 1.4429 1.4429 2.5622 2.5622 2.6567 2.6567 2.9222 2.9222 3.0114 3.0114 3.2288 3.2288 3.3402 3.3402 3.5786 3.5786 3.6947 3.6947 6.3885 6.3885 7.4655 7.4655 7.8809 7.8809 8.7918 8.7918 9.7962 9.7962 9.9177 9.9177 k = 0.2115 0.1494 0.8666 ( 11500 PWs) bands (ev): -8.1722 -8.1722 -8.1536 -8.1536 -8.1521 -8.1521 -8.1403 -8.1403 -4.4039 -4.4039 -4.3872 -4.3872 -3.7570 -3.7570 -3.7246 -3.7246 -3.7071 -3.7071 -0.5284 -0.5284 -0.0113 -0.0113 0.0407 0.0407 0.2999 0.2999 0.3021 0.3021 0.4380 0.4380 0.6195 0.6195 0.6757 0.6757 0.9122 0.9122 1.0439 1.0439 1.1337 1.1337 1.1992 1.1992 1.4039 1.4039 1.4343 1.4343 2.5908 2.5908 2.6707 2.6707 2.9074 2.9074 3.0110 3.0110 3.2337 3.2337 3.3171 3.3171 3.5800 3.5800 3.6896 3.6896 6.3934 6.3934 7.5295 7.5295 7.8090 7.8090 8.7891 8.7891 9.7882 9.7882 9.9406 9.9406 k = 0.2308 0.1630 0.8666 ( 11508 PWs) bands (ev): -8.1722 -8.1722 -8.1534 -8.1534 -8.1523 -8.1523 -8.1403 -8.1403 -4.4039 -4.4039 -4.3872 -4.3872 -3.7570 -3.7570 -3.7246 -3.7246 -3.7072 -3.7072 -0.5284 -0.5284 -0.0095 -0.0095 0.0395 0.0395 0.2998 0.2998 0.3020 0.3020 0.4398 0.4398 0.6226 0.6226 0.6684 0.6684 0.9172 0.9172 1.0427 1.0427 1.1462 1.1462 1.1820 1.1820 1.4058 1.4058 1.4286 1.4286 2.6104 2.6104 2.6797 2.6797 2.8962 2.8962 3.0108 3.0108 3.2408 3.2408 3.2986 3.2986 3.5810 3.5810 3.6865 3.6865 6.3964 6.3964 7.5966 7.5966 7.7371 7.7371 8.7874 8.7874 9.7832 9.7832 9.9650 9.9650 k = 0.2500 0.1766 0.8666 ( 11504 PWs) bands (ev): -8.1722 -8.1722 -8.1534 -8.1534 -8.1523 -8.1523 -8.1403 -8.1403 -4.4039 -4.4039 -4.3872 -4.3872 -3.7570 -3.7570 -3.7246 -3.7246 -3.7072 -3.7072 -0.5284 -0.5284 -0.0088 -0.0088 0.0391 0.0391 0.2997 0.2997 0.3020 0.3020 0.4405 0.4405 0.6239 0.6239 0.6657 0.6657 0.9190 0.9190 1.0423 1.0423 1.1557 1.1557 1.1709 1.1709 1.4067 1.4067 1.4265 1.4265 2.6175 2.6175 2.6827 2.6827 2.8920 2.8920 3.0108 3.0108 3.2450 3.2450 3.2904 3.2904 3.5814 3.5814 3.6854 3.6854 6.3974 6.3974 7.6639 7.6639 7.6681 7.6681 8.7869 8.7869 9.7815 9.7815 9.9824 9.9824 Writing output data file CdxAgI2x2.save init_run : 4.70s CPU 11.80s WALL ( 1 calls) electrons : 1744.07s CPU 1755.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.68s CPU 1.75s WALL ( 1 calls) Called by electrons: c_bands : 1744.01s CPU 1755.34s WALL ( 1 calls) v_of_rho : 0.24s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.23s CPU 0.64s WALL ( 1 calls) newd : 1.09s CPU 1.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.18s WALL ( 245 calls) cegterg : 1641.66s CPU 1649.77s WALL ( 591 calls) Called by sum_band: Called by *egterg: h_psi : 989.71s CPU 999.93s WALL ( 10050 calls) s_psi : 47.18s CPU 47.28s WALL ( 10050 calls) g_psi : 1.83s CPU 1.81s WALL ( 9214 calls) cdiaghg : 427.98s CPU 426.12s WALL ( 9459 calls) cegterg:over : 114.51s CPU 112.44s WALL ( 9214 calls) cegterg:upda : 49.32s CPU 51.93s WALL ( 9214 calls) cegterg:last : 33.15s CPU 33.62s WALL ( 1326 calls) Called by h_psi: h_psi:vloc : 876.50s CPU 884.54s WALL ( 10050 calls) h_psi:vnl : 111.70s CPU 113.22s WALL ( 10050 calls) add_vuspsi : 42.66s CPU 45.92s WALL ( 10050 calls) General routines calbec : 68.98s CPU 67.11s WALL ( 10050 calls) fft : 0.47s CPU 1.31s WALL ( 19 calls) ffts : 0.01s CPU 0.11s WALL ( 4 calls) fftw : 637.86s CPU 636.89s WALL ( 1237588 calls) interpolate : 0.14s CPU 0.29s WALL ( 4 calls) davcio : 0.04s CPU 1.81s WALL ( 490 calls) Parallel routines fft_scatter : 324.53s CPU 322.62s WALL ( 1237611 calls) PWSCF : 30m33.35s CPU 33m 2.85s WALL This run was terminated on: 2:27:20 10Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=