Program PWSCF v.5.1.1 starts on 25Oct2015 at 12:45: 9 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: ./Al2CdSe4.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 160 38 10 6527 749 114 Max 161 39 11 6531 772 118 Sum 7717 1831 523 313381 36383 5589 bravais-lattice index = 14 lattice parameter (alat) = 12.5509 a.u. unit-cell volume = 1148.7581 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.550893 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.635595 celldm(5)= -0.635595 celldm(6)= 0.271190 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.271190 0.962526 0.000000 ) a(3) = ( -0.635595 -0.481263 0.603660 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.281748 0.828281 ) b(2) = ( 0.000000 1.038933 0.828281 ) b(3) = ( 0.000000 0.000000 1.656562 ) 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0000000 0.0000000 0.0207070), wk = 0.0036232 k( 3) = ( 0.0000000 0.0000000 0.0414141), wk = 0.0036232 k( 4) = ( 0.0000000 0.0000000 0.0621211), wk = 0.0036232 k( 5) = ( 0.0000000 0.0000000 0.0828281), wk = 0.0036232 k( 6) = ( 0.0000000 0.0000000 0.1035351), wk = 0.0036232 k( 7) = ( 0.0000000 0.0000000 0.1242422), wk = 0.0036232 k( 8) = ( 0.0000000 0.0000000 0.1449492), wk = 0.0036232 k( 9) = ( 0.0000000 0.0000000 0.1656562), wk = 0.0036232 k( 10) = ( 0.0000000 0.0000000 0.1863632), wk = 0.0036232 k( 11) = ( 0.0000000 0.0000000 0.2070703), wk = 0.0036232 k( 12) = ( 0.0000000 0.0000000 0.2277773), wk = 0.0036232 k( 13) = ( 0.0000000 0.0000000 0.2484843), wk = 0.0036232 k( 14) = ( 0.0000000 0.0000000 0.2691913), wk = 0.0036232 k( 15) = ( 0.0000000 0.0000000 0.2898984), wk = 0.0036232 k( 16) = ( 0.0000000 0.0000000 0.3106054), wk = 0.0036232 k( 17) = ( 0.0000000 0.0000000 0.3313124), wk = 0.0036232 k( 18) = ( 0.0000000 0.0000000 0.3520195), wk = 0.0036232 k( 19) = ( 0.0000000 0.0000000 0.3727265), wk = 0.0036232 k( 20) = ( 0.0000000 0.0000000 0.3934335), wk = 0.0036232 k( 21) = ( 0.0000000 0.0000000 0.4141405), wk = 0.0036232 k( 22) = ( 0.0000000 0.0000000 0.4348476), wk = 0.0036232 k( 23) = ( 0.0000000 0.0000000 0.4555546), wk = 0.0036232 k( 24) = ( 0.0000000 0.0000000 0.4762616), wk = 0.0036232 k( 25) = ( 0.0000000 0.0000000 0.4969686), wk = 0.0036232 k( 26) = ( 0.0000000 0.0000000 0.5176757), wk = 0.0036232 k( 27) = ( 0.0000000 0.0000000 0.5383827), wk = 0.0036232 k( 28) = ( 0.0000000 0.0000000 0.5590897), wk = 0.0036232 k( 29) = ( 0.0000000 0.0000000 0.5797967), wk = 0.0036232 k( 30) = ( 0.0000000 0.0000000 0.6005038), wk = 0.0036232 k( 31) = ( 0.0000000 0.0000000 0.6212108), wk = 0.0036232 k( 32) = ( 0.0000000 0.0000000 0.6419178), wk = 0.0036232 k( 33) = ( 0.0000000 0.0000000 0.6626249), wk = 0.0036232 k( 34) = ( 0.0000000 0.0000000 0.6833319), wk = 0.0036232 k( 35) = ( 0.0000000 0.0000000 0.7040389), wk = 0.0036232 k( 36) = ( 0.0000000 0.0000000 0.7247459), wk = 0.0036232 k( 37) = ( 0.0000000 0.0000000 0.7454530), wk = 0.0036232 k( 38) = ( 0.0000000 0.0000000 0.7661600), wk = 0.0036232 k( 39) = ( 0.0000000 0.0000000 0.7868670), wk = 0.0036232 k( 40) = ( 0.0000000 0.0000000 0.8075740), wk = 0.0036232 k( 41) = ( 0.0000000 0.0000000 0.8282811), wk = 0.0036232 k( 42) = ( 0.0000000 0.0000000 0.8282811), wk = 0.0036232 k( 43) = ( -0.0119444 0.0157747 0.8282811), wk = 0.0036232 k( 44) = ( -0.0238887 0.0315494 0.8282811), wk = 0.0036232 k( 45) = ( -0.0358331 0.0473241 0.8282811), wk = 0.0036232 k( 46) = ( -0.0477774 0.0630988 0.8282811), wk = 0.0036232 k( 47) = ( -0.0597218 0.0788735 0.8282811), wk = 0.0036232 k( 48) = ( -0.0716662 0.0946481 0.8282811), wk = 0.0036232 k( 49) = ( -0.0836105 0.1104228 0.8282811), wk = 0.0036232 k( 50) = ( -0.0955549 0.1261975 0.8282811), wk = 0.0036232 k( 51) = ( -0.1074993 0.1419722 0.8282811), wk = 0.0036232 k( 52) = ( -0.1194436 0.1577469 0.8282811), wk = 0.0036232 k( 53) = ( -0.1313880 0.1735216 0.8282811), wk = 0.0036232 k( 54) = ( -0.1433323 0.1892963 0.8282811), wk = 0.0036232 k( 55) = ( -0.1433323 0.1892963 0.8282811), wk = 0.0036232 k( 56) = ( -0.1522490 0.2010724 0.8135100), wk = 0.0036232 k( 57) = ( -0.1611657 0.2128485 0.7987390), wk = 0.0036232 k( 58) = ( -0.1700824 0.2246246 0.7839679), wk = 0.0036232 k( 59) = ( -0.1789991 0.2364007 0.7691968), wk = 0.0036232 k( 60) = ( -0.1879158 0.2481768 0.7544258), wk = 0.0036232 k( 61) = ( -0.1968325 0.2599529 0.7396547), wk = 0.0036232 k( 62) = ( -0.2057492 0.2717290 0.7248837), wk = 0.0036232 k( 63) = ( -0.2146659 0.2835051 0.7101126), wk = 0.0036232 k( 64) = ( -0.2235826 0.2952812 0.6953416), wk = 0.0036232 k( 65) = ( -0.2324993 0.3070573 0.6805705), wk = 0.0036232 k( 66) = ( -0.2414159 0.3188334 0.6657995), wk = 0.0036232 k( 67) = ( -0.2503326 0.3306095 0.6510284), wk = 0.0036232 k( 68) = ( -0.2592493 0.3423856 0.6362574), wk = 0.0036232 k( 69) = ( -0.2681660 0.3541617 0.6214863), wk = 0.0036232 k( 70) = ( -0.2770827 0.3659378 0.6067153), wk = 0.0036232 k( 71) = ( -0.2859994 0.3777140 0.5919442), wk = 0.0036232 k( 72) = ( -0.2949161 0.3894901 0.5771732), wk = 0.0036232 k( 73) = ( -0.3038328 0.4012662 0.5624021), wk = 0.0036232 k( 74) = ( -0.3127495 0.4130423 0.5476310), wk = 0.0036232 k( 75) = ( -0.3216662 0.4248184 0.5328600), wk = 0.0036232 k( 76) = ( -0.3216662 0.4248184 0.5328600), wk = 0.0036232 k( 77) = ( -0.3127310 0.4130179 0.5180583), wk = 0.0036232 k( 78) = ( -0.3037958 0.4012174 0.5032567), wk = 0.0036232 k( 79) = ( -0.2948607 0.3894168 0.4884550), wk = 0.0036232 k( 80) = ( -0.2859255 0.3776163 0.4736533), wk = 0.0036232 k( 81) = ( -0.2769903 0.3658158 0.4588517), wk = 0.0036232 k( 82) = ( -0.2680551 0.3540153 0.4440500), wk = 0.0036232 k( 83) = ( -0.2591200 0.3422148 0.4292483), wk = 0.0036232 k( 84) = ( -0.2501848 0.3304143 0.4144467), wk = 0.0036232 k( 85) = ( -0.2412496 0.3186138 0.3996450), wk = 0.0036232 k( 86) = ( -0.2323145 0.3068133 0.3848433), wk = 0.0036232 k( 87) = ( -0.2233793 0.2950128 0.3700417), wk = 0.0036232 k( 88) = ( -0.2144441 0.2832122 0.3552400), wk = 0.0036232 k( 89) = ( -0.2055089 0.2714117 0.3404383), wk = 0.0036232 k( 90) = ( -0.1965738 0.2596112 0.3256367), wk = 0.0036232 k( 91) = ( -0.1876386 0.2478107 0.3108350), wk = 0.0036232 k( 92) = ( -0.1787034 0.2360102 0.2960333), wk = 0.0036232 k( 93) = ( -0.1697683 0.2242097 0.2812317), wk = 0.0036232 k( 94) = ( -0.1608331 0.2124092 0.2664300), wk = 0.0036232 k( 95) = ( -0.1518979 0.2006087 0.2516283), wk = 0.0036232 k( 96) = ( -0.1429627 0.1888082 0.2368267), wk = 0.0036232 k( 97) = ( -0.1340276 0.1770077 0.2220250), wk = 0.0036232 k( 98) = ( -0.1250924 0.1652071 0.2072233), wk = 0.0036232 k( 99) = ( -0.1161572 0.1534066 0.1924217), wk = 0.0036232 k( 100) = ( -0.1072221 0.1416061 0.1776200), wk = 0.0036232 k( 101) = ( -0.0982869 0.1298056 0.1628183), wk = 0.0036232 k( 102) = ( -0.0893517 0.1180051 0.1480167), wk = 0.0036232 k( 103) = ( -0.0804165 0.1062046 0.1332150), wk = 0.0036232 k( 104) = ( -0.0714814 0.0944041 0.1184133), wk = 0.0036232 k( 105) = ( -0.0625462 0.0826036 0.1036117), wk = 0.0036232 k( 106) = ( -0.0536110 0.0708031 0.0888100), wk = 0.0036232 k( 107) = ( -0.0446759 0.0590026 0.0740083), wk = 0.0036232 k( 108) = ( -0.0357407 0.0472020 0.0592067), wk = 0.0036232 k( 109) = ( -0.0268055 0.0354015 0.0444050), wk = 0.0036232 k( 110) = ( -0.0178703 0.0236010 0.0296033), wk = 0.0036232 k( 111) = ( -0.0089352 0.0118005 0.0148017), wk = 0.0036232 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 114) = ( 0.0166667 0.0126198 0.0000000), wk = 0.0036232 k( 115) = ( 0.0333333 0.0252395 0.0000000), wk = 0.0036232 k( 116) = ( 0.0500000 0.0378593 0.0000000), wk = 0.0036232 k( 117) = ( 0.0666667 0.0504790 0.0000000), wk = 0.0036232 k( 118) = ( 0.0833333 0.0630988 0.0000000), wk = 0.0036232 k( 119) = ( 0.1000000 0.0757185 0.0000000), wk = 0.0036232 k( 120) = ( 0.1166667 0.0883383 0.0000000), wk = 0.0036232 k( 121) = ( 0.1333333 0.1009580 0.0000000), wk = 0.0036232 k( 122) = ( 0.1500000 0.1135778 0.0000000), wk = 0.0036232 k( 123) = ( 0.1666667 0.1261975 0.0000000), wk = 0.0036232 k( 124) = ( 0.1833333 0.1388173 0.0000000), wk = 0.0036232 k( 125) = ( 0.2000000 0.1514370 0.0000000), wk = 0.0036232 k( 126) = ( 0.2166667 0.1640568 0.0000000), wk = 0.0036232 k( 127) = ( 0.2333333 0.1766765 0.0000000), wk = 0.0036232 k( 128) = ( 0.2500000 0.1892963 0.0000000), wk = 0.0036232 k( 129) = ( 0.2666667 0.2019160 0.0000000), wk = 0.0036232 k( 130) = ( 0.2833333 0.2145358 0.0000000), wk = 0.0036232 k( 131) = ( 0.3000000 0.2271555 0.0000000), wk = 0.0036232 k( 132) = ( 0.3166667 0.2397753 0.0000000), wk = 0.0036232 k( 133) = ( 0.3333333 0.2523951 0.0000000), wk = 0.0036232 k( 134) = ( 0.3500000 0.2650148 0.0000000), wk = 0.0036232 k( 135) = ( 0.3666667 0.2776346 0.0000000), wk = 0.0036232 k( 136) = ( 0.3833333 0.2902543 0.0000000), wk = 0.0036232 k( 137) = ( 0.4000000 0.3028741 0.0000000), wk = 0.0036232 k( 138) = ( 0.4166667 0.3154938 0.0000000), wk = 0.0036232 k( 139) = ( 0.4333333 0.3281136 0.0000000), wk = 0.0036232 k( 140) = ( 0.4500000 0.3407333 0.0000000), wk = 0.0036232 k( 141) = ( 0.4666667 0.3533531 0.0000000), wk = 0.0036232 k( 142) = ( 0.4833333 0.3659728 0.0000000), wk = 0.0036232 k( 143) = ( 0.5000000 0.3785926 0.0000000), wk = 0.0036232 k( 144) = ( 0.5000000 0.3785926 0.0000000), wk = 0.0036232 k( 145) = ( 0.4910833 0.3903687 0.0147711), wk = 0.0036232 k( 146) = ( 0.4821666 0.4021448 0.0295421), wk = 0.0036232 k( 147) = ( 0.4732499 0.4139209 0.0443132), wk = 0.0036232 k( 148) = ( 0.4643332 0.4256970 0.0590842), wk = 0.0036232 k( 149) = ( 0.4554165 0.4374731 0.0738553), wk = 0.0036232 k( 150) = ( 0.4464998 0.4492492 0.0886263), wk = 0.0036232 k( 151) = ( 0.4375832 0.4610253 0.1033974), wk = 0.0036232 k( 152) = ( 0.4286665 0.4728014 0.1181684), wk = 0.0036232 k( 153) = ( 0.4197498 0.4845775 0.1329395), wk = 0.0036232 k( 154) = ( 0.4108331 0.4963536 0.1477105), wk = 0.0036232 k( 155) = ( 0.4019164 0.5081297 0.1624816), wk = 0.0036232 k( 156) = ( 0.3929997 0.5199058 0.1772526), wk = 0.0036232 k( 157) = ( 0.3840830 0.5316819 0.1920237), wk = 0.0036232 k( 158) = ( 0.3751663 0.5434580 0.2067947), wk = 0.0036232 k( 159) = ( 0.3662496 0.5552341 0.2215658), wk = 0.0036232 k( 160) = ( 0.3573329 0.5670102 0.2363368), wk = 0.0036232 k( 161) = ( 0.3484162 0.5787863 0.2511079), wk = 0.0036232 k( 162) = ( 0.3394995 0.5905625 0.2658790), wk = 0.0036232 k( 163) = ( 0.3305829 0.6023386 0.2806500), wk = 0.0036232 k( 164) = ( 0.3216662 0.6141147 0.2954211), wk = 0.0036232 k( 165) = ( 0.3216662 0.6141147 0.2954211), wk = 0.0036232 k( 166) = ( 0.3027446 0.6085471 0.3024046), wk = 0.0036232 k( 167) = ( 0.2838231 0.6029796 0.3093881), wk = 0.0036232 k( 168) = ( 0.2649015 0.5974121 0.3163716), wk = 0.0036232 k( 169) = ( 0.2459800 0.5918445 0.3233551), wk = 0.0036232 k( 170) = ( 0.2270585 0.5862770 0.3303386), wk = 0.0036232 k( 171) = ( 0.2081369 0.5807094 0.3373221), wk = 0.0036232 k( 172) = ( 0.1892154 0.5751419 0.3443055), wk = 0.0036232 k( 173) = ( 0.1702939 0.5695744 0.3512890), wk = 0.0036232 k( 174) = ( 0.1513723 0.5640068 0.3582725), wk = 0.0036232 k( 175) = ( 0.1324508 0.5584393 0.3652560), wk = 0.0036232 k( 176) = ( 0.1135292 0.5528717 0.3722395), wk = 0.0036232 k( 177) = ( 0.0946077 0.5473042 0.3792230), wk = 0.0036232 k( 178) = ( 0.0756862 0.5417367 0.3862065), wk = 0.0036232 k( 179) = ( 0.0567646 0.5361691 0.3931900), wk = 0.0036232 k( 180) = ( 0.0378431 0.5306016 0.4001735), wk = 0.0036232 k( 181) = ( 0.0189215 0.5250341 0.4071570), wk = 0.0036232 k( 182) = ( 0.0000000 0.5194665 0.4141405), wk = 0.0036232 k( 183) = ( 0.0000000 0.5194665 0.4141405), wk = 0.0036232 k( 184) = ( 0.0089286 0.5076747 0.4289313), wk = 0.0036232 k( 185) = ( 0.0178571 0.4958829 0.4437220), wk = 0.0036232 k( 186) = ( 0.0267857 0.4840911 0.4585127), wk = 0.0036232 k( 187) = ( 0.0357143 0.4722993 0.4733035), wk = 0.0036232 k( 188) = ( 0.0446429 0.4605075 0.4880942), wk = 0.0036232 k( 189) = ( 0.0535714 0.4487158 0.5028849), wk = 0.0036232 k( 190) = ( 0.0625000 0.4369240 0.5176757), wk = 0.0036232 k( 191) = ( 0.0714286 0.4251322 0.5324664), wk = 0.0036232 k( 192) = ( 0.0803571 0.4133404 0.5472571), wk = 0.0036232 k( 193) = ( 0.0892857 0.4015486 0.5620479), wk = 0.0036232 k( 194) = ( 0.0982143 0.3897568 0.5768386), wk = 0.0036232 k( 195) = ( 0.1071429 0.3779650 0.5916293), wk = 0.0036232 k( 196) = ( 0.1160714 0.3661732 0.6064201), wk = 0.0036232 k( 197) = ( 0.1250000 0.3543814 0.6212108), wk = 0.0036232 k( 198) = ( 0.1339286 0.3425896 0.6360015), wk = 0.0036232 k( 199) = ( 0.1428571 0.3307978 0.6507923), wk = 0.0036232 k( 200) = ( 0.1517857 0.3190060 0.6655830), wk = 0.0036232 k( 201) = ( 0.1607143 0.3072142 0.6803737), wk = 0.0036232 k( 202) = ( 0.1696429 0.2954224 0.6951645), wk = 0.0036232 k( 203) = ( 0.1785714 0.2836306 0.7099552), wk = 0.0036232 k( 204) = ( 0.1875000 0.2718388 0.7247459), wk = 0.0036232 k( 205) = ( 0.1964286 0.2600471 0.7395367), wk = 0.0036232 k( 206) = ( 0.2053571 0.2482553 0.7543274), wk = 0.0036232 k( 207) = ( 0.2142857 0.2364635 0.7691181), wk = 0.0036232 k( 208) = ( 0.2232143 0.2246717 0.7839089), wk = 0.0036232 k( 209) = ( 0.2321429 0.2128799 0.7986996), wk = 0.0036232 k( 210) = ( 0.2410714 0.2010881 0.8134903), wk = 0.0036232 k( 211) = ( 0.2500000 0.1892963 0.8282811), wk = 0.0036232 k( 212) = ( 0.2500000 0.1892963 0.8282811), wk = 0.0036232 k( 213) = ( 0.2631579 0.1992593 0.8157843), wk = 0.0036232 k( 214) = ( 0.2763158 0.2092222 0.8032875), wk = 0.0036232 k( 215) = ( 0.2894737 0.2191852 0.7907907), wk = 0.0036232 k( 216) = ( 0.3026316 0.2291481 0.7782939), wk = 0.0036232 k( 217) = ( 0.3157895 0.2391111 0.7657971), wk = 0.0036232 k( 218) = ( 0.3289474 0.2490741 0.7533004), wk = 0.0036232 k( 219) = ( 0.3421053 0.2590370 0.7408036), wk = 0.0036232 k( 220) = ( 0.3552632 0.2690000 0.7283068), wk = 0.0036232 k( 221) = ( 0.3684211 0.2789630 0.7158100), wk = 0.0036232 k( 222) = ( 0.3815789 0.2889259 0.7033132), wk = 0.0036232 k( 223) = ( 0.3947368 0.2988889 0.6908164), wk = 0.0036232 k( 224) = ( 0.4078947 0.3088518 0.6783196), wk = 0.0036232 k( 225) = ( 0.4210526 0.3188148 0.6658228), wk = 0.0036232 k( 226) = ( 0.4342105 0.3287778 0.6533261), wk = 0.0036232 k( 227) = ( 0.4473684 0.3387407 0.6408293), wk = 0.0036232 k( 228) = ( 0.4605263 0.3487037 0.6283325), wk = 0.0036232 k( 229) = ( 0.4736842 0.3586667 0.6158357), wk = 0.0036232 k( 230) = ( 0.4868421 0.3686296 0.6033389), wk = 0.0036232 k( 231) = ( 0.5000000 0.3785926 0.5908421), wk = 0.0036232 k( 232) = ( 0.5000000 0.3785926 0.5908421), wk = 0.0036232 k( 233) = ( 0.5000000 0.3785926 0.5697406), wk = 0.0036232 k( 234) = ( 0.5000000 0.3785926 0.5486391), wk = 0.0036232 k( 235) = ( 0.5000000 0.3785926 0.5275376), wk = 0.0036232 k( 236) = ( 0.5000000 0.3785926 0.5064361), wk = 0.0036232 k( 237) = ( 0.5000000 0.3785926 0.4853346), wk = 0.0036232 k( 238) = ( 0.5000000 0.3785926 0.4642331), wk = 0.0036232 k( 239) = ( 0.5000000 0.3785926 0.4431316), wk = 0.0036232 k( 240) = ( 0.5000000 0.3785926 0.4220301), wk = 0.0036232 k( 241) = ( 0.5000000 0.3785926 0.4009286), wk = 0.0036232 k( 242) = ( 0.5000000 0.3785926 0.3798271), wk = 0.0036232 k( 243) = ( 0.5000000 0.3785926 0.3587256), wk = 0.0036232 k( 244) = ( 0.5000000 0.3785926 0.3376241), wk = 0.0036232 k( 245) = ( 0.5000000 0.3785926 0.3165226), wk = 0.0036232 k( 246) = ( 0.5000000 0.3785926 0.2954211), wk = 0.0036232 k( 247) = ( 0.5000000 0.3785926 0.2743196), wk = 0.0036232 k( 248) = ( 0.5000000 0.3785926 0.2532181), wk = 0.0036232 k( 249) = ( 0.5000000 0.3785926 0.2321166), wk = 0.0036232 k( 250) = ( 0.5000000 0.3785926 0.2110151), wk = 0.0036232 k( 251) = ( 0.5000000 0.3785926 0.1899136), wk = 0.0036232 k( 252) = ( 0.5000000 0.3785926 0.1688120), wk = 0.0036232 k( 253) = ( 0.5000000 0.3785926 0.1477105), wk = 0.0036232 k( 254) = ( 0.5000000 0.3785926 0.1266090), wk = 0.0036232 k( 255) = ( 0.5000000 0.3785926 0.1055075), wk = 0.0036232 k( 256) = ( 0.5000000 0.3785926 0.0844060), wk = 0.0036232 k( 257) = ( 0.5000000 0.3785926 0.0633045), wk = 0.0036232 k( 258) = ( 0.5000000 0.3785926 0.0422030), wk = 0.0036232 k( 259) = ( 0.5000000 0.3785926 0.0211015), wk = 0.0036232 k( 260) = ( 0.5000000 0.3785926 0.0000000), wk = 0.0036232 k( 261) = ( 0.0000000 0.0000000 0.8282811), wk = 0.0036232 k( 262) = ( 0.0166667 0.0126198 0.8282811), wk = 0.0036232 k( 263) = ( 0.0333333 0.0252395 0.8282811), wk = 0.0036232 k( 264) = ( 0.0500000 0.0378593 0.8282811), wk = 0.0036232 k( 265) = ( 0.0666667 0.0504790 0.8282811), wk = 0.0036232 k( 266) = ( 0.0833333 0.0630988 0.8282811), wk = 0.0036232 k( 267) = ( 0.1000000 0.0757185 0.8282811), wk = 0.0036232 k( 268) = ( 0.1166667 0.0883383 0.8282811), wk = 0.0036232 k( 269) = ( 0.1333333 0.1009580 0.8282811), wk = 0.0036232 k( 270) = ( 0.1500000 0.1135778 0.8282811), wk = 0.0036232 k( 271) = ( 0.1666667 0.1261975 0.8282811), wk = 0.0036232 k( 272) = ( 0.1833333 0.1388173 0.8282811), wk = 0.0036232 k( 273) = ( 0.2000000 0.1514370 0.8282811), wk = 0.0036232 k( 274) = ( 0.2166667 0.1640568 0.8282811), wk = 0.0036232 k( 275) = ( 0.2333333 0.1766765 0.8282811), wk = 0.0036232 k( 276) = ( 0.2500000 0.1892963 0.8282811), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036232 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036232 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036232 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036232 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036232 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036232 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036232 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036232 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036232 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036232 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036232 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036232 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036232 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036232 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036232 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036232 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036232 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036232 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036232 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036232 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036232 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036232 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036232 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036232 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036232 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036232 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036232 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036232 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036232 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036232 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036232 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036232 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036232 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036232 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036232 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036232 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036232 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036232 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036232 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 43) = ( -0.0119444 0.0119444 0.5000000), wk = 0.0036232 k( 44) = ( -0.0238887 0.0238887 0.5000000), wk = 0.0036232 k( 45) = ( -0.0358331 0.0358331 0.5000000), wk = 0.0036232 k( 46) = ( -0.0477774 0.0477774 0.5000000), wk = 0.0036232 k( 47) = ( -0.0597218 0.0597218 0.5000000), wk = 0.0036232 k( 48) = ( -0.0716662 0.0716662 0.5000000), wk = 0.0036232 k( 49) = ( -0.0836105 0.0836105 0.5000000), wk = 0.0036232 k( 50) = ( -0.0955549 0.0955549 0.5000000), wk = 0.0036232 k( 51) = ( -0.1074993 0.1074993 0.5000000), wk = 0.0036232 k( 52) = ( -0.1194436 0.1194436 0.5000000), wk = 0.0036232 k( 53) = ( -0.1313880 0.1313880 0.5000000), wk = 0.0036232 k( 54) = ( -0.1433323 0.1433323 0.5000000), wk = 0.0036232 k( 55) = ( -0.1433323 0.1433323 0.5000000), wk = 0.0036232 k( 56) = ( -0.1522490 0.1522490 0.4910833), wk = 0.0036232 k( 57) = ( -0.1611657 0.1611657 0.4821666), wk = 0.0036232 k( 58) = ( -0.1700824 0.1700824 0.4732499), wk = 0.0036232 k( 59) = ( -0.1789991 0.1789991 0.4643332), wk = 0.0036232 k( 60) = ( -0.1879158 0.1879158 0.4554165), wk = 0.0036232 k( 61) = ( -0.1968325 0.1968325 0.4464998), wk = 0.0036232 k( 62) = ( -0.2057492 0.2057492 0.4375832), wk = 0.0036232 k( 63) = ( -0.2146659 0.2146659 0.4286665), wk = 0.0036232 k( 64) = ( -0.2235826 0.2235826 0.4197498), wk = 0.0036232 k( 65) = ( -0.2324993 0.2324993 0.4108331), wk = 0.0036232 k( 66) = ( -0.2414159 0.2414159 0.4019164), wk = 0.0036232 k( 67) = ( -0.2503326 0.2503326 0.3929997), wk = 0.0036232 k( 68) = ( -0.2592493 0.2592493 0.3840830), wk = 0.0036232 k( 69) = ( -0.2681660 0.2681660 0.3751663), wk = 0.0036232 k( 70) = ( -0.2770827 0.2770827 0.3662496), wk = 0.0036232 k( 71) = ( -0.2859994 0.2859994 0.3573329), wk = 0.0036232 k( 72) = ( -0.2949161 0.2949161 0.3484162), wk = 0.0036232 k( 73) = ( -0.3038328 0.3038328 0.3394995), wk = 0.0036232 k( 74) = ( -0.3127495 0.3127495 0.3305829), wk = 0.0036232 k( 75) = ( -0.3216662 0.3216662 0.3216662), wk = 0.0036232 k( 76) = ( -0.3216662 0.3216662 0.3216662), wk = 0.0036232 k( 77) = ( -0.3127310 0.3127310 0.3127310), wk = 0.0036232 k( 78) = ( -0.3037958 0.3037958 0.3037958), wk = 0.0036232 k( 79) = ( -0.2948607 0.2948607 0.2948607), wk = 0.0036232 k( 80) = ( -0.2859255 0.2859255 0.2859255), wk = 0.0036232 k( 81) = ( -0.2769903 0.2769903 0.2769903), wk = 0.0036232 k( 82) = ( -0.2680551 0.2680551 0.2680551), wk = 0.0036232 k( 83) = ( -0.2591200 0.2591200 0.2591200), wk = 0.0036232 k( 84) = ( -0.2501848 0.2501848 0.2501848), wk = 0.0036232 k( 85) = ( -0.2412496 0.2412496 0.2412496), wk = 0.0036232 k( 86) = ( -0.2323145 0.2323145 0.2323145), wk = 0.0036232 k( 87) = ( -0.2233793 0.2233793 0.2233793), wk = 0.0036232 k( 88) = ( -0.2144441 0.2144441 0.2144441), wk = 0.0036232 k( 89) = ( -0.2055089 0.2055089 0.2055089), wk = 0.0036232 k( 90) = ( -0.1965738 0.1965738 0.1965738), wk = 0.0036232 k( 91) = ( -0.1876386 0.1876386 0.1876386), wk = 0.0036232 k( 92) = ( -0.1787034 0.1787034 0.1787034), wk = 0.0036232 k( 93) = ( -0.1697683 0.1697683 0.1697683), wk = 0.0036232 k( 94) = ( -0.1608331 0.1608331 0.1608331), wk = 0.0036232 k( 95) = ( -0.1518979 0.1518979 0.1518979), wk = 0.0036232 k( 96) = ( -0.1429627 0.1429627 0.1429627), wk = 0.0036232 k( 97) = ( -0.1340276 0.1340276 0.1340276), wk = 0.0036232 k( 98) = ( -0.1250924 0.1250924 0.1250924), wk = 0.0036232 k( 99) = ( -0.1161572 0.1161572 0.1161572), wk = 0.0036232 k( 100) = ( -0.1072221 0.1072221 0.1072221), wk = 0.0036232 k( 101) = ( -0.0982869 0.0982869 0.0982869), wk = 0.0036232 k( 102) = ( -0.0893517 0.0893517 0.0893517), wk = 0.0036232 k( 103) = ( -0.0804165 0.0804165 0.0804165), wk = 0.0036232 k( 104) = ( -0.0714814 0.0714814 0.0714814), wk = 0.0036232 k( 105) = ( -0.0625462 0.0625462 0.0625462), wk = 0.0036232 k( 106) = ( -0.0536110 0.0536110 0.0536110), wk = 0.0036232 k( 107) = ( -0.0446759 0.0446759 0.0446759), wk = 0.0036232 k( 108) = ( -0.0357407 0.0357407 0.0357407), wk = 0.0036232 k( 109) = ( -0.0268055 0.0268055 0.0268055), wk = 0.0036232 k( 110) = ( -0.0178703 0.0178703 0.0178703), wk = 0.0036232 k( 111) = ( -0.0089352 0.0089352 0.0089352), wk = 0.0036232 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 114) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036232 k( 115) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036232 k( 116) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036232 k( 117) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036232 k( 118) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036232 k( 119) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036232 k( 120) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036232 k( 121) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036232 k( 122) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036232 k( 123) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036232 k( 124) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036232 k( 125) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036232 k( 126) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036232 k( 127) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036232 k( 128) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036232 k( 129) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036232 k( 130) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036232 k( 131) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036232 k( 132) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036232 k( 133) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036232 k( 134) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036232 k( 135) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036232 k( 136) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036232 k( 137) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036232 k( 138) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036232 k( 139) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036232 k( 140) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036232 k( 141) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036232 k( 142) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036232 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036232 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036232 k( 145) = ( 0.4910833 0.5089167 -0.4910833), wk = 0.0036232 k( 146) = ( 0.4821666 0.5178334 -0.4821666), wk = 0.0036232 k( 147) = ( 0.4732499 0.5267501 -0.4732499), wk = 0.0036232 k( 148) = ( 0.4643332 0.5356668 -0.4643332), wk = 0.0036232 k( 149) = ( 0.4554165 0.5445835 -0.4554165), wk = 0.0036232 k( 150) = ( 0.4464998 0.5535001 -0.4464999), wk = 0.0036232 k( 151) = ( 0.4375832 0.5624168 -0.4375832), wk = 0.0036232 k( 152) = ( 0.4286665 0.5713335 -0.4286665), wk = 0.0036232 k( 153) = ( 0.4197498 0.5802502 -0.4197498), wk = 0.0036232 k( 154) = ( 0.4108331 0.5891669 -0.4108331), wk = 0.0036232 k( 155) = ( 0.4019164 0.5980836 -0.4019164), wk = 0.0036232 k( 156) = ( 0.3929997 0.6070003 -0.3929997), wk = 0.0036232 k( 157) = ( 0.3840830 0.6159170 -0.3840830), wk = 0.0036232 k( 158) = ( 0.3751663 0.6248337 -0.3751663), wk = 0.0036232 k( 159) = ( 0.3662496 0.6337504 -0.3662496), wk = 0.0036232 k( 160) = ( 0.3573329 0.6426671 -0.3573329), wk = 0.0036232 k( 161) = ( 0.3484162 0.6515837 -0.3484162), wk = 0.0036232 k( 162) = ( 0.3394995 0.6605004 -0.3394995), wk = 0.0036232 k( 163) = ( 0.3305829 0.6694171 -0.3305829), wk = 0.0036232 k( 164) = ( 0.3216662 0.6783338 -0.3216662), wk = 0.0036232 k( 165) = ( 0.3216662 0.6783338 -0.3216662), wk = 0.0036232 k( 166) = ( 0.3027446 0.6678436 -0.3027446), wk = 0.0036232 k( 167) = ( 0.2838231 0.6573534 -0.2838231), wk = 0.0036232 k( 168) = ( 0.2649015 0.6468632 -0.2649015), wk = 0.0036232 k( 169) = ( 0.2459800 0.6363729 -0.2459800), wk = 0.0036232 k( 170) = ( 0.2270585 0.6258827 -0.2270585), wk = 0.0036232 k( 171) = ( 0.2081369 0.6153925 -0.2081369), wk = 0.0036232 k( 172) = ( 0.1892154 0.6049022 -0.1892154), wk = 0.0036232 k( 173) = ( 0.1702939 0.5944120 -0.1702939), wk = 0.0036232 k( 174) = ( 0.1513723 0.5839218 -0.1513723), wk = 0.0036232 k( 175) = ( 0.1324508 0.5734316 -0.1324508), wk = 0.0036232 k( 176) = ( 0.1135292 0.5629413 -0.1135292), wk = 0.0036232 k( 177) = ( 0.0946077 0.5524511 -0.0946077), wk = 0.0036232 k( 178) = ( 0.0756862 0.5419609 -0.0756862), wk = 0.0036232 k( 179) = ( 0.0567646 0.5314707 -0.0567646), wk = 0.0036232 k( 180) = ( 0.0378431 0.5209804 -0.0378431), wk = 0.0036232 k( 181) = ( 0.0189215 0.5104902 -0.0189215), wk = 0.0036232 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 183) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036232 k( 184) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036232 k( 185) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036232 k( 186) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036232 k( 187) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036232 k( 188) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036232 k( 189) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036232 k( 190) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036232 k( 191) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036232 k( 192) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036232 k( 193) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036232 k( 194) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036232 k( 195) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036232 k( 196) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036232 k( 197) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036232 k( 198) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036232 k( 199) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036232 k( 200) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036232 k( 201) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036232 k( 202) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036232 k( 203) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036232 k( 204) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036232 k( 205) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036232 k( 206) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036232 k( 207) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036232 k( 208) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036232 k( 209) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036232 k( 210) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036232 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036232 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036232 k( 213) = ( 0.2631579 0.2631579 0.2292983), wk = 0.0036232 k( 214) = ( 0.2763158 0.2763158 0.2085966), wk = 0.0036232 k( 215) = ( 0.2894737 0.2894737 0.1878949), wk = 0.0036232 k( 216) = ( 0.3026316 0.3026316 0.1671932), wk = 0.0036232 k( 217) = ( 0.3157895 0.3157895 0.1464915), wk = 0.0036232 k( 218) = ( 0.3289474 0.3289474 0.1257898), wk = 0.0036232 k( 219) = ( 0.3421053 0.3421053 0.1050881), wk = 0.0036232 k( 220) = ( 0.3552632 0.3552632 0.0843864), wk = 0.0036232 k( 221) = ( 0.3684211 0.3684211 0.0636847), wk = 0.0036232 k( 222) = ( 0.3815789 0.3815789 0.0429830), wk = 0.0036232 k( 223) = ( 0.3947368 0.3947368 0.0222813), wk = 0.0036232 k( 224) = ( 0.4078947 0.4078947 0.0015796), wk = 0.0036232 k( 225) = ( 0.4210526 0.4210526 -0.0191221), wk = 0.0036232 k( 226) = ( 0.4342105 0.4342105 -0.0398238), wk = 0.0036232 k( 227) = ( 0.4473684 0.4473684 -0.0605255), wk = 0.0036232 k( 228) = ( 0.4605263 0.4605263 -0.0812272), wk = 0.0036232 k( 229) = ( 0.4736842 0.4736842 -0.1019289), wk = 0.0036232 k( 230) = ( 0.4868421 0.4868421 -0.1226306), wk = 0.0036232 k( 231) = ( 0.5000000 0.5000000 -0.1433323), wk = 0.0036232 k( 232) = ( 0.5000000 0.5000000 -0.1433323), wk = 0.0036232 k( 233) = ( 0.5000000 0.5000000 -0.1560705), wk = 0.0036232 k( 234) = ( 0.5000000 0.5000000 -0.1688086), wk = 0.0036232 k( 235) = ( 0.5000000 0.5000000 -0.1815467), wk = 0.0036232 k( 236) = ( 0.5000000 0.5000000 -0.1942849), wk = 0.0036232 k( 237) = ( 0.5000000 0.5000000 -0.2070230), wk = 0.0036232 k( 238) = ( 0.5000000 0.5000000 -0.2197611), wk = 0.0036232 k( 239) = ( 0.5000000 0.5000000 -0.2324993), wk = 0.0036232 k( 240) = ( 0.5000000 0.5000000 -0.2452374), wk = 0.0036232 k( 241) = ( 0.5000000 0.5000000 -0.2579755), wk = 0.0036232 k( 242) = ( 0.5000000 0.5000000 -0.2707137), wk = 0.0036232 k( 243) = ( 0.5000000 0.5000000 -0.2834518), wk = 0.0036232 k( 244) = ( 0.5000000 0.5000000 -0.2961899), wk = 0.0036232 k( 245) = ( 0.5000000 0.5000000 -0.3089280), wk = 0.0036232 k( 246) = ( 0.5000000 0.5000000 -0.3216662), wk = 0.0036232 k( 247) = ( 0.5000000 0.5000000 -0.3344043), wk = 0.0036232 k( 248) = ( 0.5000000 0.5000000 -0.3471424), wk = 0.0036232 k( 249) = ( 0.5000000 0.5000000 -0.3598806), wk = 0.0036232 k( 250) = ( 0.5000000 0.5000000 -0.3726187), wk = 0.0036232 k( 251) = ( 0.5000000 0.5000000 -0.3853568), wk = 0.0036232 k( 252) = ( 0.5000000 0.5000000 -0.3980950), wk = 0.0036232 k( 253) = ( 0.5000000 0.5000000 -0.4108331), wk = 0.0036232 k( 254) = ( 0.5000000 0.5000000 -0.4235712), wk = 0.0036232 k( 255) = ( 0.5000000 0.5000000 -0.4363093), wk = 0.0036232 k( 256) = ( 0.5000000 0.5000000 -0.4490475), wk = 0.0036232 k( 257) = ( 0.5000000 0.5000000 -0.4617856), wk = 0.0036232 k( 258) = ( 0.5000000 0.5000000 -0.4745237), wk = 0.0036232 k( 259) = ( 0.5000000 0.5000000 -0.4872619), wk = 0.0036232 k( 260) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036232 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 262) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036232 k( 263) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036232 k( 264) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036232 k( 265) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036232 k( 266) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036232 k( 267) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036232 k( 268) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036232 k( 269) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036232 k( 270) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036232 k( 271) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036232 k( 272) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036232 k( 273) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036232 k( 274) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036232 k( 275) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036232 k( 276) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036232 Dense grid: 313381 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 36383 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 192, 50) NL pseudopotentials 0.19 Mb ( 96, 130) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6531) G-vector shells 0.02 Mb ( 3048) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 192, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2CdSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.2 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.8 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.3 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.5 secs Computing kpt #: 6 total cpu time spent up to now is 72.4 secs Computing kpt #: 7 total cpu time spent up to now is 77.0 secs Computing kpt #: 8 total cpu time spent up to now is 81.4 secs Computing kpt #: 9 total cpu time spent up to now is 85.1 secs Computing kpt #: 10 total cpu time spent up to now is 89.3 secs Computing kpt #: 11 total cpu time spent up to now is 92.9 secs Computing kpt #: 12 total cpu time spent up to now is 96.6 secs Computing kpt #: 13 total cpu time spent up to now is 100.0 secs Computing kpt #: 14 total cpu time spent up to now is 103.3 secs Computing kpt #: 15 total cpu time spent up to now is 107.2 secs Computing kpt #: 16 total cpu time spent up to now is 110.6 secs Computing kpt #: 17 total cpu time spent up to now is 113.8 secs Computing kpt #: 18 total cpu time spent up to now is 116.7 secs Computing kpt #: 19 total cpu time spent up to now is 119.9 secs Computing kpt #: 20 total cpu time spent up to now is 123.0 secs Computing kpt #: 21 total cpu time spent up to now is 126.3 secs Computing kpt #: 22 total cpu time spent up to now is 129.5 secs Computing kpt #: 23 total cpu time spent up to now is 132.7 secs Computing kpt #: 24 total cpu time spent up to now is 136.0 secs Computing kpt #: 25 total cpu time spent up to now is 139.2 secs Computing kpt #: 26 total cpu time spent up to now is 142.4 secs Computing kpt #: 27 total cpu time spent up to now is 145.6 secs Computing kpt #: 28 total cpu time spent up to now is 148.9 secs Computing kpt #: 29 total cpu time spent up to now is 152.0 secs Computing kpt #: 30 total cpu time spent up to now is 154.9 secs Computing kpt #: 31 total cpu time spent up to now is 157.8 secs Computing kpt #: 32 total cpu time spent up to now is 160.7 secs Computing kpt #: 33 total cpu time spent up to now is 163.8 secs Computing kpt #: 34 total cpu time spent up to now is 166.9 secs Computing kpt #: 35 total cpu time spent up to now is 169.8 secs Computing kpt #: 36 total cpu time spent up to now is 173.0 secs Computing kpt #: 37 total cpu time spent up to now is 175.9 secs Computing kpt #: 38 total cpu time spent up to now is 178.8 secs Computing kpt #: 39 total cpu time spent up to now is 181.7 secs Computing kpt #: 40 total cpu time spent up to now is 184.5 secs Computing kpt #: 41 total cpu time spent up to now is 187.3 secs Computing kpt #: 42 total cpu time spent up to now is 190.1 secs Computing kpt #: 43 total cpu time spent up to now is 192.9 secs Computing kpt #: 44 total cpu time spent up to now is 195.8 secs Computing kpt #: 45 total cpu time spent up to now is 198.7 secs Computing kpt #: 46 total cpu time spent up to now is 201.5 secs Computing kpt #: 47 total cpu time spent up to now is 204.5 secs Computing kpt #: 48 total cpu time spent up to now is 207.6 secs Computing kpt #: 49 total cpu time spent up to now is 210.6 secs Computing kpt #: 50 total cpu time spent up to now is 213.9 secs Computing kpt #: 51 total cpu time spent up to now is 217.1 secs Computing kpt #: 52 total cpu time spent up to now is 220.6 secs Computing kpt #: 53 total cpu time spent up to now is 224.0 secs Computing kpt #: 54 total cpu time spent up to now is 227.4 secs Computing kpt #: 55 total cpu time spent up to now is 230.9 secs Computing kpt #: 56 total cpu time spent up to now is 234.3 secs Computing kpt #: 57 total cpu time spent up to now is 237.6 secs Computing kpt #: 58 total cpu time spent up to now is 241.1 secs Computing kpt #: 59 total cpu time spent up to now is 244.2 secs Computing kpt #: 60 total cpu time spent up to now is 247.4 secs Computing kpt #: 61 total cpu time spent up to now is 250.5 secs Computing kpt #: 62 total cpu time spent up to now is 253.7 secs Computing kpt #: 63 total cpu time spent up to now is 256.6 secs Computing kpt #: 64 total cpu time spent up to now is 259.4 secs Computing kpt #: 65 total cpu time spent up to now is 262.3 secs Computing kpt #: 66 total cpu time spent up to now is 265.2 secs Computing kpt #: 67 total cpu time spent up to now is 268.1 secs Computing kpt #: 68 total cpu time spent up to now is 271.1 secs Computing kpt #: 69 total cpu time spent up to now is 274.0 secs Computing kpt #: 70 total cpu time spent up to now is 276.9 secs Computing kpt #: 71 total cpu time spent up to now is 279.8 secs Computing kpt #: 72 total cpu time spent up to now is 282.7 secs Computing kpt #: 73 total cpu time spent up to now is 285.5 secs Computing kpt #: 74 total cpu time spent up to now is 288.4 secs Computing kpt #: 75 total cpu time spent up to now is 291.3 secs Computing kpt #: 76 total cpu time spent up to now is 294.2 secs Computing kpt #: 77 total cpu time spent up to now is 297.1 secs Computing kpt #: 78 total cpu time spent up to now is 300.1 secs Computing kpt #: 79 total cpu time spent up to now is 303.1 secs Computing kpt #: 80 total cpu time spent up to now is 306.1 secs Computing kpt #: 81 total cpu time spent up to now is 309.1 secs Computing kpt #: 82 total cpu time spent up to now is 312.1 secs Computing kpt #: 83 total cpu time spent up to now is 315.1 secs Computing kpt #: 84 total cpu time spent up to now is 318.0 secs Computing kpt #: 85 total cpu time spent up to now is 320.9 secs Computing kpt #: 86 total cpu time spent up to now is 324.1 secs Computing kpt #: 87 total cpu time spent up to now is 327.5 secs Computing kpt #: 88 total cpu time spent up to now is 330.7 secs Computing kpt #: 89 total cpu time spent up to now is 334.0 secs Computing kpt #: 90 total cpu time spent up to now is 337.3 secs Computing kpt #: 91 total cpu time spent up to now is 341.2 secs Computing kpt #: 92 total cpu time spent up to now is 344.5 secs Computing kpt #: 93 total cpu time spent up to now is 347.8 secs Computing kpt #: 94 total cpu time spent up to now is 350.8 secs Computing kpt #: 95 total cpu time spent up to now is 353.8 secs Computing kpt #: 96 total cpu time spent up to now is 356.8 secs Computing kpt #: 97 total cpu time spent up to now is 359.7 secs Computing kpt #: 98 total cpu time spent up to now is 362.8 secs Computing kpt #: 99 total cpu time spent up to now is 365.9 secs Computing kpt #: 100 total cpu time spent up to now is 369.0 secs Computing kpt #: 101 total cpu time spent up to now is 372.4 secs Computing kpt #: 102 total cpu time spent up to now is 375.8 secs Computing kpt #: 103 total cpu time spent up to now is 379.5 secs Computing kpt #: 104 total cpu time spent up to now is 383.5 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 388.8 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 399.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.8 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.2 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.3 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.4 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.8 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.1 secs Computing kpt #: 121 total cpu time spent up to now is 473.4 secs Computing kpt #: 122 total cpu time spent up to now is 476.7 secs Computing kpt #: 123 total cpu time spent up to now is 480.0 secs Computing kpt #: 124 total cpu time spent up to now is 483.2 secs Computing kpt #: 125 total cpu time spent up to now is 486.4 secs Computing kpt #: 126 total cpu time spent up to now is 489.5 secs Computing kpt #: 127 total cpu time spent up to now is 492.9 secs Computing kpt #: 128 total cpu time spent up to now is 496.2 secs Computing kpt #: 129 total cpu time spent up to now is 499.1 secs Computing kpt #: 130 total cpu time spent up to now is 502.4 secs Computing kpt #: 131 total cpu time spent up to now is 505.3 secs Computing kpt #: 132 total cpu time spent up to now is 508.6 secs Computing kpt #: 133 total cpu time spent up to now is 511.5 secs Computing kpt #: 134 total cpu time spent up to now is 514.6 secs Computing kpt #: 135 total cpu time spent up to now is 517.6 secs Computing kpt #: 136 total cpu time spent up to now is 520.8 secs Computing kpt #: 137 total cpu time spent up to now is 523.8 secs Computing kpt #: 138 total cpu time spent up to now is 526.8 secs Computing kpt #: 139 total cpu time spent up to now is 529.8 secs Computing kpt #: 140 total cpu time spent up to now is 532.8 secs Computing kpt #: 141 total cpu time spent up to now is 535.8 secs Computing kpt #: 142 total cpu time spent up to now is 538.6 secs Computing kpt #: 143 total cpu time spent up to now is 541.4 secs Computing kpt #: 144 total cpu time spent up to now is 544.4 secs Computing kpt #: 145 total cpu time spent up to now is 547.4 secs Computing kpt #: 146 total cpu time spent up to now is 550.2 secs Computing kpt #: 147 total cpu time spent up to now is 553.0 secs Computing kpt #: 148 total cpu time spent up to now is 555.8 secs Computing kpt #: 149 total cpu time spent up to now is 558.7 secs Computing kpt #: 150 total cpu time spent up to now is 561.7 secs Computing kpt #: 151 total cpu time spent up to now is 564.6 secs Computing kpt #: 152 total cpu time spent up to now is 567.6 secs Computing kpt #: 153 total cpu time spent up to now is 570.6 secs Computing kpt #: 154 total cpu time spent up to now is 573.6 secs Computing kpt #: 155 total cpu time spent up to now is 576.6 secs Computing kpt #: 156 total cpu time spent up to now is 579.8 secs Computing kpt #: 157 total cpu time spent up to now is 582.9 secs Computing kpt #: 158 total cpu time spent up to now is 586.2 secs Computing kpt #: 159 total cpu time spent up to now is 589.2 secs Computing kpt #: 160 total cpu time spent up to now is 592.3 secs Computing kpt #: 161 total cpu time spent up to now is 595.4 secs Computing kpt #: 162 total cpu time spent up to now is 598.3 secs Computing kpt #: 163 total cpu time spent up to now is 601.3 secs Computing kpt #: 164 total cpu time spent up to now is 604.2 secs Computing kpt #: 165 total cpu time spent up to now is 607.1 secs Computing kpt #: 166 total cpu time spent up to now is 610.0 secs Computing kpt #: 167 total cpu time spent up to now is 613.0 secs Computing kpt #: 168 total cpu time spent up to now is 615.9 secs Computing kpt #: 169 total cpu time spent up to now is 618.8 secs Computing kpt #: 170 total cpu time spent up to now is 621.7 secs Computing kpt #: 171 total cpu time spent up to now is 624.6 secs Computing kpt #: 172 total cpu time spent up to now is 627.5 secs Computing kpt #: 173 total cpu time spent up to now is 630.4 secs Computing kpt #: 174 total cpu time spent up to now is 633.1 secs Computing kpt #: 175 total cpu time spent up to now is 636.1 secs Computing kpt #: 176 total cpu time spent up to now is 639.0 secs Computing kpt #: 177 total cpu time spent up to now is 642.0 secs Computing kpt #: 178 total cpu time spent up to now is 645.1 secs Computing kpt #: 179 total cpu time spent up to now is 648.2 secs Computing kpt #: 180 total cpu time spent up to now is 651.5 secs Computing kpt #: 181 total cpu time spent up to now is 654.7 secs Computing kpt #: 182 total cpu time spent up to now is 657.9 secs Computing kpt #: 183 total cpu time spent up to now is 661.1 secs Computing kpt #: 184 total cpu time spent up to now is 664.8 secs Computing kpt #: 185 total cpu time spent up to now is 668.0 secs Computing kpt #: 186 total cpu time spent up to now is 671.3 secs Computing kpt #: 187 total cpu time spent up to now is 675.0 secs Computing kpt #: 188 total cpu time spent up to now is 678.8 secs Computing kpt #: 189 total cpu time spent up to now is 682.2 secs Computing kpt #: 190 total cpu time spent up to now is 685.5 secs Computing kpt #: 191 total cpu time spent up to now is 689.0 secs Computing kpt #: 192 total cpu time spent up to now is 693.5 secs Computing kpt #: 193 total cpu time spent up to now is 697.9 secs Computing kpt #: 194 total cpu time spent up to now is 702.4 secs Computing kpt #: 195 total cpu time spent up to now is 706.2 secs Computing kpt #: 196 total cpu time spent up to now is 710.9 secs Computing kpt #: 197 total cpu time spent up to now is 715.5 secs Computing kpt #: 198 total cpu time spent up to now is 719.0 secs Computing kpt #: 199 total cpu time spent up to now is 722.3 secs Computing kpt #: 200 total cpu time spent up to now is 725.6 secs Computing kpt #: 201 total cpu time spent up to now is 728.8 secs Computing kpt #: 202 total cpu time spent up to now is 731.8 secs Computing kpt #: 203 total cpu time spent up to now is 735.1 secs Computing kpt #: 204 total cpu time spent up to now is 738.3 secs Computing kpt #: 205 total cpu time spent up to now is 741.4 secs Computing kpt #: 206 total cpu time spent up to now is 744.3 secs Computing kpt #: 207 total cpu time spent up to now is 747.3 secs Computing kpt #: 208 total cpu time spent up to now is 750.1 secs Computing kpt #: 209 total cpu time spent up to now is 753.1 secs Computing kpt #: 210 total cpu time spent up to now is 756.1 secs Computing kpt #: 211 total cpu time spent up to now is 758.8 secs Computing kpt #: 212 total cpu time spent up to now is 761.7 secs Computing kpt #: 213 total cpu time spent up to now is 764.5 secs Computing kpt #: 214 total cpu time spent up to now is 767.4 secs Computing kpt #: 215 total cpu time spent up to now is 770.3 secs Computing kpt #: 216 total cpu time spent up to now is 773.2 secs Computing kpt #: 217 total cpu time spent up to now is 776.1 secs Computing kpt #: 218 total cpu time spent up to now is 779.0 secs Computing kpt #: 219 total cpu time spent up to now is 782.0 secs Computing kpt #: 220 total cpu time spent up to now is 785.1 secs Computing kpt #: 221 total cpu time spent up to now is 788.1 secs Computing kpt #: 222 total cpu time spent up to now is 791.2 secs Computing kpt #: 223 total cpu time spent up to now is 794.4 secs Computing kpt #: 224 total cpu time spent up to now is 797.6 secs Computing kpt #: 225 total cpu time spent up to now is 800.9 secs Computing kpt #: 226 total cpu time spent up to now is 804.1 secs Computing kpt #: 227 total cpu time spent up to now is 807.4 secs Computing kpt #: 228 total cpu time spent up to now is 810.6 secs Computing kpt #: 229 total cpu time spent up to now is 813.9 secs Computing kpt #: 230 total cpu time spent up to now is 817.2 secs Computing kpt #: 231 total cpu time spent up to now is 820.6 secs Computing kpt #: 232 total cpu time spent up to now is 824.0 secs Computing kpt #: 233 total cpu time spent up to now is 827.5 secs Computing kpt #: 234 total cpu time spent up to now is 830.9 secs Computing kpt #: 235 total cpu time spent up to now is 834.3 secs Computing kpt #: 236 total cpu time spent up to now is 837.8 secs Computing kpt #: 237 total cpu time spent up to now is 841.2 secs Computing kpt #: 238 total cpu time spent up to now is 844.7 secs Computing kpt #: 239 total cpu time spent up to now is 847.9 secs Computing kpt #: 240 total cpu time spent up to now is 851.1 secs Computing kpt #: 241 total cpu time spent up to now is 854.2 secs Computing kpt #: 242 total cpu time spent up to now is 857.4 secs Computing kpt #: 243 total cpu time spent up to now is 860.5 secs Computing kpt #: 244 total cpu time spent up to now is 863.8 secs Computing kpt #: 245 total cpu time spent up to now is 866.6 secs Computing kpt #: 246 total cpu time spent up to now is 869.6 secs Computing kpt #: 247 total cpu time spent up to now is 872.5 secs Computing kpt #: 248 total cpu time spent up to now is 875.5 secs Computing kpt #: 249 total cpu time spent up to now is 878.6 secs Computing kpt #: 250 total cpu time spent up to now is 881.9 secs Computing kpt #: 251 total cpu time spent up to now is 885.0 secs Computing kpt #: 252 total cpu time spent up to now is 888.1 secs Computing kpt #: 253 total cpu time spent up to now is 891.3 secs Computing kpt #: 254 total cpu time spent up to now is 894.4 secs Computing kpt #: 255 total cpu time spent up to now is 897.3 secs Computing kpt #: 256 total cpu time spent up to now is 900.2 secs Computing kpt #: 257 total cpu time spent up to now is 903.1 secs Computing kpt #: 258 total cpu time spent up to now is 905.9 secs Computing kpt #: 259 total cpu time spent up to now is 908.7 secs Computing kpt #: 260 total cpu time spent up to now is 911.5 secs Computing kpt #: 261 total cpu time spent up to now is 914.3 secs Computing kpt #: 262 total cpu time spent up to now is 917.2 secs Computing kpt #: 263 total cpu time spent up to now is 920.3 secs Computing kpt #: 264 total cpu time spent up to now is 923.2 secs Computing kpt #: 265 total cpu time spent up to now is 926.0 secs Computing kpt #: 266 total cpu time spent up to now is 928.9 secs Computing kpt #: 267 total cpu time spent up to now is 931.8 secs Computing kpt #: 268 total cpu time spent up to now is 934.7 secs Computing kpt #: 269 total cpu time spent up to now is 937.5 secs Computing kpt #: 270 total cpu time spent up to now is 940.5 secs Computing kpt #: 271 total cpu time spent up to now is 943.4 secs Computing kpt #: 272 total cpu time spent up to now is 946.3 secs Computing kpt #: 273 total cpu time spent up to now is 949.1 secs Computing kpt #: 274 total cpu time spent up to now is 952.1 secs Computing kpt #: 275 total cpu time spent up to now is 955.0 secs Computing kpt #: 276 total cpu time spent up to now is 957.8 secs ethr = 2.38E-11, avg # of iterations = 49.3 total cpu time spent up to now is 958.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4579 PWs) bands (ev): -8.2198 -8.2198 -6.9320 -6.9320 -6.9314 -6.9314 -6.8224 -6.8224 -3.0331 -3.0331 -3.0235 -3.0235 -2.3918 -2.3918 -2.3777 -2.3777 -2.3529 -2.3529 -0.5622 -0.5622 0.6537 0.6537 1.4303 1.4303 1.7078 1.7078 1.8115 1.8115 1.8939 1.8939 2.5891 2.5891 3.2058 3.2058 3.2978 3.2978 4.5070 4.5070 4.8615 4.8615 4.9619 4.9619 7.1767 7.1767 7.8531 7.8531 8.5242 8.5242 10.3493 10.3493 k = 0.0000 0.0000 0.0207 ( 4587 PWs) bands (ev): -8.2191 -8.2191 -6.9325 -6.9325 -6.9319 -6.9319 -6.8224 -6.8224 -3.0335 -3.0331 -3.0236 -3.0231 -2.3923 -2.3914 -2.3793 -2.3762 -2.3544 -2.3517 -0.5624 -0.5615 0.6489 0.6569 1.4213 1.4349 1.6843 1.7323 1.7984 1.8234 1.8798 1.9190 2.5879 2.5906 3.2032 3.2094 3.2956 3.3001 4.5021 4.5080 4.8570 4.8600 4.9569 4.9572 7.1846 7.1865 7.8555 7.8567 8.5268 8.5303 10.3446 10.3470 k = 0.0000 0.0000 0.0414 ( 4591 PWs) bands (ev): -8.2169 -8.2169 -6.9342 -6.9341 -6.9333 -6.9332 -6.8225 -6.8224 -3.0341 -3.0336 -3.0235 -3.0226 -2.3929 -2.3912 -2.3807 -2.3747 -2.3560 -2.3506 -0.5618 -0.5601 0.6425 0.6584 1.4095 1.4353 1.6603 1.7586 1.7773 1.8403 1.8827 1.9484 2.5869 2.5919 3.2011 3.2140 3.2940 3.3034 4.4924 4.5052 4.8449 4.8518 4.9440 4.9446 7.2099 7.2135 7.8636 7.8662 8.5383 8.5452 10.3284 10.3401 k = 0.0000 0.0000 0.0621 ( 4593 PWs) bands (ev): -8.2133 -8.2132 -6.9369 -6.9368 -6.9355 -6.9354 -6.8226 -6.8225 -3.0350 -3.0343 -3.0231 -3.0221 -2.3935 -2.3912 -2.3820 -2.3731 -2.3577 -2.3497 -0.5607 -0.5582 0.6344 0.6575 1.3976 1.4334 1.6352 1.7465 1.7900 1.8632 1.8997 1.9794 2.5857 2.5925 3.1986 3.2189 3.2947 3.3093 4.4769 4.4980 4.8215 4.8348 4.9277 4.9297 7.2512 7.2560 7.8772 7.8814 8.5587 8.5691 10.3049 10.3280 k = 0.0000 0.0000 0.0828 ( 4585 PWs) bands (ev): -8.2082 -8.2082 -6.9408 -6.9407 -6.9385 -6.9383 -6.8228 -6.8226 -3.0362 -3.0351 -3.0224 -3.0217 -2.3942 -2.3915 -2.3830 -2.3716 -2.3595 -2.3490 -0.5589 -0.5558 0.6242 0.6537 1.3883 1.4316 1.6091 1.7143 1.8209 1.8904 1.9264 2.0114 2.5837 2.5917 3.1954 3.2225 3.3003 3.3191 4.4534 4.4855 4.7849 4.8076 4.9127 4.9172 7.3064 7.3116 7.8959 7.9020 8.5883 8.6020 10.2758 10.3090 k = 0.0000 0.0000 0.1035 ( 4581 PWs) bands (ev): -8.2017 -8.2017 -6.9456 -6.9455 -6.9423 -6.9421 -6.8232 -6.8229 -3.0376 -3.0360 -3.0218 -3.0213 -2.3950 -2.3923 -2.3838 -2.3702 -2.3613 -2.3484 -0.5567 -0.5530 0.6116 0.6462 1.3839 1.4322 1.5825 1.6809 1.8512 1.9196 1.9604 2.0444 2.5798 2.5884 3.1923 3.2246 3.3125 3.3338 4.4198 4.4656 4.7384 4.7729 4.9008 4.9077 7.3727 7.3775 7.9192 7.9278 8.6273 8.6443 10.2422 10.2831 k = 0.0000 0.0000 0.1242 ( 4585 PWs) bands (ev): -8.1938 -8.1938 -6.9515 -6.9513 -6.9468 -6.9466 -6.8237 -6.8235 -3.0393 -3.0370 -3.0215 -3.0205 -2.3961 -2.3934 -2.3842 -2.3689 -2.3629 -2.3478 -0.5540 -0.5499 0.5960 0.6345 1.3863 1.4370 1.5561 1.6476 1.8787 1.9492 2.0002 2.0791 2.5735 2.5823 3.1909 3.2265 3.3312 3.3530 4.3740 4.4353 4.6883 4.7360 4.8908 4.8999 7.4472 7.4508 7.9471 7.9586 8.6756 8.6958 10.2050 10.2512 k = 0.0000 0.0000 0.1449 ( 4571 PWs) bands (ev): -8.1845 -8.1845 -6.9582 -6.9580 -6.9521 -6.9518 -6.8245 -6.8242 -3.0410 -3.0379 -3.0215 -3.0195 -2.3974 -2.3946 -2.3844 -2.3679 -2.3640 -2.3474 -0.5510 -0.5466 0.5773 0.6181 1.3962 1.4464 1.5309 1.6157 1.9020 1.9770 2.0443 2.1164 2.5645 2.5732 3.1932 3.2305 3.3552 3.3760 4.3153 4.3916 4.6410 4.7008 4.8815 4.8927 7.5269 7.5283 7.9795 7.9943 8.7332 8.7567 10.1650 10.2145 k = 0.0000 0.0000 0.1657 ( 4571 PWs) bands (ev): -8.1738 -8.1738 -6.9657 -6.9655 -6.9580 -6.9577 -6.8256 -6.8253 -3.0428 -3.0389 -3.0216 -3.0185 -2.3992 -2.3958 -2.3846 -2.3678 -2.3640 -2.3470 -0.5478 -0.5433 0.5555 0.5972 1.4135 1.4586 1.5100 1.5865 1.9205 2.0003 2.0916 2.1570 2.5533 2.5616 3.2006 3.2384 3.3832 3.4018 4.2447 4.3334 4.6003 4.6686 4.8721 4.8852 7.6072 7.6086 8.0170 8.0355 8.7998 8.8266 10.1230 10.1742 k = 0.0000 0.0000 0.1864 ( 4559 PWs) bands (ev): -8.1618 -8.1617 -6.9740 -6.9737 -6.9646 -6.9642 -6.8271 -6.8267 -3.0447 -3.0398 -3.0219 -3.0174 -2.4011 -2.3972 -2.3846 -2.3685 -2.3631 -2.3466 -0.5445 -0.5400 0.5306 0.5719 1.4347 1.4629 1.5045 1.5638 1.9333 2.0168 2.1415 2.2011 2.5414 2.5490 3.2139 3.2508 3.4143 3.4291 4.1648 4.2635 4.5659 4.6392 4.8623 4.8772 7.6844 7.6891 8.0605 8.0825 8.8747 8.9050 10.0797 10.1314 k = 0.0000 0.0000 0.2071 ( 4549 PWs) bands (ev): -8.1484 -8.1484 -6.9830 -6.9827 -6.9717 -6.9713 -6.8290 -6.8286 -3.0465 -3.0409 -3.0224 -3.0164 -2.4032 -2.3988 -2.3846 -2.3692 -2.3618 -2.3462 -0.5413 -0.5369 0.5029 0.5430 1.4379 1.4657 1.5180 1.5593 1.9398 2.0248 2.1933 2.2482 2.5312 2.5375 3.2331 3.2681 3.4469 3.4565 4.0787 4.1869 4.5355 4.6113 4.8520 4.8684 7.7576 7.7652 8.1112 8.1361 8.9571 8.9910 10.0356 10.0872 k = 0.0000 0.0000 0.2278 ( 4545 PWs) bands (ev): -8.1338 -8.1337 -6.9926 -6.9922 -6.9793 -6.9789 -6.8313 -6.8308 -3.0483 -3.0420 -3.0229 -3.0153 -2.4053 -2.4007 -2.3845 -2.3697 -2.3604 -2.3458 -0.5382 -0.5340 0.4729 0.5110 1.4211 1.4636 1.5453 1.5825 1.9393 2.0235 2.2468 2.2976 2.5244 2.5302 3.2576 3.2897 3.4781 3.4827 3.9902 4.1090 4.5071 4.5838 4.8412 4.8590 7.8249 7.8345 8.1699 8.1961 9.0458 9.0835 9.9912 10.0422 k = 0.0000 0.0000 0.2485 ( 4545 PWs) bands (ev): -8.1178 -8.1178 -7.0028 -7.0024 -6.9874 -6.9870 -6.8341 -6.8336 -3.0500 -3.0431 -3.0235 -3.0143 -2.4073 -2.4027 -2.3843 -2.3700 -2.3589 -2.3453 -0.5355 -0.5315 0.4408 0.4766 1.4029 1.4477 1.5880 1.6194 1.9319 2.0136 2.3018 2.3482 2.5213 2.5309 3.2866 3.3144 3.4992 3.5108 3.9037 4.0356 4.4792 4.5560 4.8298 4.8489 7.8858 7.8960 8.2365 8.2620 9.1391 9.1809 9.9467 9.9970 k = 0.0000 0.0000 0.2692 ( 4539 PWs) bands (ev): -8.1007 -8.1006 -7.0135 -7.0130 -6.9959 -6.9955 -6.8375 -6.8369 -3.0517 -3.0443 -3.0242 -3.0134 -2.4093 -2.4050 -2.3840 -2.3702 -2.3575 -2.3448 -0.5331 -0.5294 0.4072 0.4404 1.3863 1.4289 1.6364 1.6606 1.9199 1.9984 2.3579 2.3986 2.5233 2.5407 3.3187 3.3400 3.5092 3.5319 3.8271 3.9728 4.4512 4.5273 4.8179 4.8381 7.9409 7.9504 8.3090 8.3322 9.2349 9.2808 9.9026 9.9522 k = 0.0000 0.0000 0.2899 ( 4543 PWs) bands (ev): -8.0824 -8.0823 -7.0247 -7.0241 -7.0047 -7.0043 -6.8414 -6.8407 -3.0533 -3.0456 -3.0248 -3.0125 -2.4111 -2.4074 -2.3835 -2.3703 -2.3561 -2.3443 -0.5313 -0.5276 0.3725 0.4030 1.3717 1.4108 1.6808 1.7001 1.9092 1.9849 2.4151 2.4464 2.5314 2.5601 3.3514 3.3624 3.5068 3.5332 3.7746 3.9270 4.4234 4.4978 4.8058 4.8268 7.9913 7.9993 8.3852 8.4046 9.3307 9.3800 9.8593 9.9088 k = 0.0000 0.0000 0.3106 ( 4543 PWs) bands (ev): -8.0629 -8.0628 -7.0362 -7.0357 -7.0138 -7.0133 -6.8459 -6.8451 -3.0547 -3.0470 -3.0255 -3.0117 -2.4128 -2.4098 -2.3828 -2.3704 -2.3548 -2.3438 -0.5300 -0.5262 0.3369 0.3648 1.3592 1.3943 1.7064 1.7287 1.9137 1.9851 2.4725 2.4881 2.5459 2.5899 3.3677 3.3812 3.4909 3.5166 3.7594 3.9012 4.3962 4.4676 4.7933 4.8151 8.0384 8.0445 8.4623 8.4773 9.4224 9.4733 9.8178 9.8690 k = 0.0000 0.0000 0.3313 ( 4541 PWs) bands (ev): -8.0423 -8.0422 -7.0481 -7.0475 -7.0230 -7.0226 -6.8510 -6.8502 -3.0561 -3.0484 -3.0261 -3.0109 -2.4144 -2.4122 -2.3821 -2.3704 -2.3536 -2.3432 -0.5292 -0.5251 0.3009 0.3263 1.3484 1.3800 1.7044 1.7319 1.9487 2.0096 2.5187 2.5290 2.5685 2.6303 3.3457 3.3773 3.4759 3.5207 3.7724 3.8922 4.3710 4.4373 4.7807 4.8031 8.0832 8.0877 8.5384 8.5487 9.5030 9.5504 9.7821 9.8390 k = 0.0000 0.0000 0.3520 ( 4553 PWs) bands (ev): -8.0207 -8.0206 -7.0602 -7.0597 -7.0324 -7.0319 -6.8568 -6.8559 -3.0572 -3.0498 -3.0267 -3.0103 -2.4160 -2.4143 -2.3812 -2.3705 -2.3524 -2.3427 -0.5290 -0.5244 0.2647 0.2877 1.3381 1.3680 1.6797 1.7129 2.0100 2.0579 2.5420 2.5695 2.6084 2.6781 3.2971 3.3278 3.4977 3.5448 3.7972 3.8927 4.3494 4.4077 4.7681 4.7908 8.1263 8.1302 8.6113 8.6178 9.5578 9.5917 9.7639 9.8334 k = 0.0000 0.0000 0.3727 ( 4557 PWs) bands (ev): -7.9981 -7.9980 -7.0726 -7.0721 -7.0418 -7.0414 -6.8632 -6.8622 -3.0583 -3.0513 -3.0272 -3.0097 -2.4179 -2.4159 -2.3803 -2.3706 -2.3513 -2.3421 -0.5292 -0.5240 0.2285 0.2493 1.3263 1.3587 1.6427 1.6850 2.0855 2.1218 2.5575 2.5931 2.6640 2.7286 3.2377 3.2707 3.5317 3.5774 3.8246 3.8952 4.3336 4.3803 4.7555 4.7785 8.1684 8.1729 8.6788 8.6846 9.5658 9.5833 9.7797 9.8617 k = 0.0000 0.0000 0.3934 ( 4561 PWs) bands (ev): -7.9746 -7.9744 -7.0852 -7.0846 -7.0512 -7.0508 -6.8704 -6.8693 -3.0592 -3.0528 -3.0277 -3.0093 -2.4199 -2.4169 -2.3793 -2.3708 -2.3504 -2.3415 -0.5297 -0.5239 0.1927 0.2114 1.3109 1.3513 1.6014 1.6569 2.1683 2.1946 2.5650 2.6074 2.7226 2.7778 3.1831 3.2215 3.5668 3.6129 3.8496 3.8953 4.3255 4.3569 4.7430 4.7662 8.2100 8.2160 8.7394 8.7483 9.5315 9.5427 9.8180 9.9045 k = 0.0000 0.0000 0.4141 ( 4569 PWs) bands (ev): -7.9502 -7.9500 -7.0979 -7.0974 -7.0605 -7.0601 -6.8782 -6.8771 -3.0600 -3.0543 -3.0282 -3.0090 -2.4220 -2.4176 -2.3784 -2.3711 -2.3495 -2.3409 -0.5304 -0.5241 0.1572 0.1741 1.2905 1.3430 1.5624 1.6335 2.2550 2.2722 2.5623 2.6100 2.7799 2.8225 3.1459 3.1874 3.5997 3.6485 3.8663 3.8934 4.3255 4.3401 4.7308 4.7540 8.2517 8.2593 8.7935 8.8067 9.4751 9.4871 9.8551 9.9414 k = 0.0000 0.0000 0.4348 ( 4565 PWs) bands (ev): -7.9250 -7.9248 -7.1107 -7.1102 -7.0697 -7.0693 -6.8867 -6.8856 -3.0606 -3.0557 -3.0286 -3.0089 -2.4239 -2.4180 -2.3774 -2.3714 -2.3488 -2.3403 -0.5311 -0.5243 0.1224 0.1376 1.2645 1.3291 1.5320 1.6177 2.3417 2.3508 2.5488 2.5975 2.8334 2.8617 3.1344 3.1739 3.6279 3.6825 3.8641 3.8992 4.3250 4.3403 4.7189 4.7422 8.2936 8.3029 8.8405 8.8579 9.4072 9.4225 9.8799 9.9644 k = 0.0000 0.0000 0.4556 ( 4555 PWs) bands (ev): -7.8991 -7.8989 -7.1235 -7.1231 -7.0787 -7.0782 -6.8959 -6.8948 -3.0611 -3.0569 -3.0291 -3.0089 -2.4256 -2.4181 -2.3767 -2.3717 -2.3483 -2.3398 -0.5316 -0.5245 0.0884 0.1021 1.2330 1.3051 1.5155 1.6108 2.4144 2.4253 2.5335 2.5736 2.8794 2.9001 3.1489 3.1834 3.6489 3.7124 3.8511 3.9084 4.3242 4.3567 4.7077 4.7308 8.3356 8.3465 8.8788 8.8998 9.3324 9.3522 9.8897 9.9725 k = 0.0000 0.0000 0.4763 ( 4553 PWs) bands (ev): -7.8725 -7.8723 -7.1364 -7.1361 -7.0873 -7.0869 -6.9059 -6.9047 -3.0614 -3.0580 -3.0295 -3.0091 -2.4272 -2.4181 -2.3762 -2.3720 -2.3479 -2.3393 -0.5319 -0.5245 0.0553 0.0678 1.1969 1.2705 1.5140 1.6127 2.4268 2.4618 2.5568 2.5792 2.9181 2.9432 3.1830 3.2126 3.6599 3.7350 3.8407 3.9159 4.3308 4.3795 4.6972 4.7202 8.3772 8.3899 8.9058 8.9293 9.2547 9.2797 9.8859 9.9678 k = 0.0000 0.0000 0.4970 ( 4553 PWs) bands (ev): -7.8454 -7.8452 -7.1493 -7.1490 -7.0957 -7.0953 -6.9165 -6.9153 -3.0617 -3.0589 -3.0300 -3.0094 -2.4285 -2.4178 -2.3763 -2.3718 -2.3477 -2.3389 -0.5319 -0.5243 0.0233 0.0348 1.1575 1.2286 1.5245 1.6226 2.3857 2.4252 2.6171 2.6487 2.9567 2.9895 3.2301 3.2537 3.6594 3.7471 3.8414 3.9230 4.3441 4.4058 4.6876 4.7104 8.4179 8.4324 8.9160 8.9405 9.1799 9.2119 9.8722 9.9530 k = 0.0000 0.0000 0.5177 ( 4547 PWs) bands (ev): -7.8178 -7.8176 -7.1622 -7.1619 -7.1036 -7.1032 -6.9278 -6.9266 -3.0620 -3.0595 -3.0305 -3.0100 -2.4297 -2.4174 -2.3769 -2.3714 -2.3476 -2.3385 -0.5313 -0.5238 -0.0076 0.0032 1.1163 1.1830 1.5437 1.6394 2.3295 2.3660 2.6821 2.7277 2.9990 3.0398 3.2851 3.2991 3.6492 3.7519 3.8533 3.9313 4.3624 4.4339 4.6792 4.7017 8.4560 8.4726 8.8995 8.9243 9.1187 9.1595 9.8530 9.9315 k = 0.0000 0.0000 0.5384 ( 4539 PWs) bands (ev): -7.7898 -7.7896 -7.1751 -7.1749 -7.1110 -7.1106 -6.9396 -6.9385 -3.0622 -3.0598 -3.0310 -3.0107 -2.4305 -2.4168 -2.3780 -2.3709 -2.3476 -2.3382 -0.5301 -0.5228 -0.0372 -0.0270 1.0744 1.1363 1.5690 1.6620 2.2684 2.3017 2.7395 2.7993 3.0464 3.0956 3.3432 3.3440 3.6362 3.7575 3.8699 3.9410 4.3837 4.4624 4.6720 4.6943 8.4887 8.5082 8.8513 8.8751 9.0812 9.1281 9.8324 9.9070 k = 0.0000 0.0000 0.5591 ( 4535 PWs) bands (ev): -7.7615 -7.7613 -7.1879 -7.1878 -7.1180 -7.1176 -6.9521 -6.9510 -3.0625 -3.0598 -3.0316 -3.0116 -2.4312 -2.4161 -2.3794 -2.3704 -2.3477 -2.3380 -0.5282 -0.5213 -0.0654 -0.0555 1.0328 1.0899 1.5989 1.6897 2.2061 2.2372 2.7851 2.8559 3.0995 3.1565 3.3847 3.4022 3.6287 3.7698 3.8868 3.9516 4.4063 4.4905 4.6662 4.6883 8.5092 8.5339 8.7861 8.8045 9.0622 9.1100 9.8139 9.8830 k = 0.0000 0.0000 0.5798 ( 4531 PWs) bands (ev): -7.7331 -7.7328 -7.2008 -7.2007 -7.1243 -7.1239 -6.9650 -6.9639 -3.0626 -3.0595 -3.0322 -3.0127 -2.4316 -2.4152 -2.3809 -2.3700 -2.3478 -2.3378 -0.5256 -0.5192 -0.0921 -0.0823 0.9923 1.0447 1.6323 1.7216 2.1447 2.1748 2.8171 2.8930 3.1566 3.2183 3.4246 3.4578 3.6346 3.7913 3.9026 3.9625 4.4289 4.5172 4.6617 4.6839 8.5027 8.5371 8.7282 8.7381 9.0509 9.0965 9.7994 9.8616 k = 0.0000 0.0000 0.6005 ( 4535 PWs) bands (ev): -7.7046 -7.7043 -7.2137 -7.2136 -7.1300 -7.1296 -6.9783 -6.9773 -3.0626 -3.0590 -3.0329 -3.0140 -2.4318 -2.4143 -2.3827 -2.3699 -2.3479 -2.3378 -0.5222 -0.5165 -0.1172 -0.1074 0.9535 1.0013 1.6681 1.7572 2.0856 2.1161 2.8351 2.9095 3.2124 3.2740 3.4702 3.5112 3.6575 3.8198 3.9181 3.9741 4.4505 4.5421 4.6586 4.6811 8.4543 8.4970 8.6925 8.7056 9.0446 9.0859 9.7891 9.8437 k = 0.0000 0.0000 0.6212 ( 4537 PWs) bands (ev): -7.6761 -7.6758 -7.2267 -7.2266 -7.1350 -7.1346 -6.9918 -6.9909 -3.0624 -3.0584 -3.0336 -3.0155 -2.4317 -2.4132 -2.3845 -2.3701 -2.3479 -2.3378 -0.5182 -0.5133 -0.1406 -0.1308 0.9167 0.9602 1.7051 1.7959 2.0297 2.0630 2.8392 2.9069 3.2623 3.3184 3.5277 3.5669 3.6935 3.8481 3.9365 3.9885 4.4705 4.5647 4.6564 4.6800 8.3746 8.4181 8.6782 8.6939 9.0457 9.0814 9.7822 9.8290 k = 0.0000 0.0000 0.6419 ( 4537 PWs) bands (ev): -7.6479 -7.6475 -7.2399 -7.2397 -7.1393 -7.1389 -7.0055 -7.0046 -3.0621 -3.0577 -3.0343 -3.0171 -2.4313 -2.4122 -2.3863 -2.3706 -2.3478 -2.3379 -0.5136 -0.5095 -0.1621 -0.1523 0.8824 0.9216 1.7410 1.8371 1.9775 2.0180 2.8302 2.8881 3.3054 3.3527 3.5963 3.6288 3.7336 3.8679 3.9604 4.0106 4.4882 4.5846 4.6550 4.6803 8.2825 8.3239 8.6656 8.6810 9.0574 9.0868 9.7769 9.8161 k = 0.0000 0.0000 0.6626 ( 4535 PWs) bands (ev): -7.6200 -7.6196 -7.2533 -7.2530 -7.1428 -7.1424 -7.0190 -7.0182 -3.0615 -3.0568 -3.0350 -3.0189 -2.4307 -2.4113 -2.3881 -2.3714 -2.3476 -2.3381 -0.5086 -0.5053 -0.1817 -0.1720 0.8509 0.8859 1.7715 1.8800 1.9296 1.9858 2.8096 2.8567 3.3440 3.3818 3.6698 3.6948 3.7692 3.8783 3.9876 4.0449 4.5035 4.6017 4.6538 4.6819 8.1882 8.2266 8.6453 8.6595 9.0805 9.1041 9.7710 9.8035 k = 0.0000 0.0000 0.6833 ( 4531 PWs) bands (ev): -7.5926 -7.5922 -7.2669 -7.2666 -7.1455 -7.1451 -7.0323 -7.0315 -3.0608 -3.0560 -3.0357 -3.0208 -2.4298 -2.4106 -2.3896 -2.3725 -2.3472 -2.3384 -0.5033 -0.5008 -0.1993 -0.1898 0.8226 0.8534 1.7890 1.8854 1.9245 1.9744 2.7794 2.8165 3.3802 3.4093 3.7387 3.7577 3.7971 3.8871 4.0190 4.0880 4.5164 4.6155 4.6527 4.6841 8.0967 8.1318 8.6173 8.6300 9.1130 9.1320 9.7627 9.7895 k = 0.0000 0.0000 0.7040 ( 4531 PWs) bands (ev): -7.5661 -7.5656 -7.2809 -7.2804 -7.1474 -7.1470 -7.0450 -7.0443 -3.0600 -3.0552 -3.0364 -3.0228 -2.4287 -2.4103 -2.3907 -2.3740 -2.3467 -2.3388 -0.4979 -0.4961 -0.2148 -0.2057 0.7977 0.8242 1.7885 1.8469 1.9664 1.9904 2.7422 2.7708 3.4150 3.4369 3.7832 3.7940 3.8402 3.9083 4.0561 4.1330 4.5272 4.6259 4.6516 4.6864 8.0113 8.0427 8.5848 8.5960 9.1519 9.1676 9.7505 9.7727 k = 0.0000 0.0000 0.7247 ( 4534 PWs) bands (ev): -7.5405 -7.5400 -7.2951 -7.2946 -7.1485 -7.1481 -7.0569 -7.0563 -3.0591 -3.0544 -3.0368 -3.0249 -2.4274 -2.4104 -2.3912 -2.3757 -2.3461 -2.3392 -0.4928 -0.4914 -0.2280 -0.2196 0.7764 0.7986 1.7758 1.8133 2.0062 2.0272 2.7003 2.7225 3.4486 3.4644 3.7919 3.8015 3.9029 3.9494 4.0971 4.1752 4.5365 4.6316 4.6514 4.6881 7.9346 7.9619 8.5517 8.5612 9.1942 9.2077 9.7341 9.7525 k = 0.0000 0.0000 0.7455 ( 4530 PWs) bands (ev): -7.5165 -7.5160 -7.3094 -7.3089 -7.1488 -7.1485 -7.0676 -7.0670 -3.0580 -3.0538 -3.0371 -3.0270 -2.4259 -2.4112 -2.3911 -2.3775 -2.3454 -2.3397 -0.4882 -0.4869 -0.2388 -0.2315 0.7591 0.7769 1.7596 1.7851 2.0475 2.0695 2.6566 2.6743 3.4803 3.4914 3.7859 3.7951 3.9621 3.9968 4.1384 4.2111 4.5454 4.6312 4.6539 4.6885 7.8690 7.8916 8.5209 8.5287 9.2374 9.2491 9.7137 9.7291 k = 0.0000 0.0000 0.7662 ( 4530 PWs) bands (ev): -7.4946 -7.4941 -7.3234 -7.3229 -7.1486 -7.1483 -7.0767 -7.0762 -3.0570 -3.0534 -3.0370 -3.0290 -2.4242 -2.4125 -2.3903 -2.3795 -2.3447 -2.3403 -0.4842 -0.4831 -0.2470 -0.2412 0.7458 0.7593 1.7452 1.7624 2.0890 2.1099 2.6143 2.6288 3.5092 3.5164 3.7751 3.7824 4.0127 4.0387 4.1768 4.2382 4.5549 4.6255 4.6583 4.6874 7.8163 7.8338 8.4950 8.5009 9.2788 9.2887 9.6913 9.7038 k = 0.0000 0.0000 0.7869 ( 4530 PWs) bands (ev): -7.4759 -7.4755 -7.3362 -7.3357 -7.1480 -7.1478 -7.0837 -7.0834 -3.0559 -3.0533 -3.0365 -3.0310 -2.4223 -2.4142 -2.3891 -2.3816 -2.3439 -2.3410 -0.4811 -0.4803 -0.2527 -0.2486 0.7369 0.7459 1.7346 1.7454 2.1269 2.1437 2.5779 2.5892 3.5333 3.5375 3.7635 3.7686 4.0521 4.0699 4.2099 4.2545 4.5658 4.6163 4.6635 4.6845 7.7783 7.7902 8.4755 8.4795 9.3150 9.3227 9.6698 9.6792 k = 0.0000 0.0000 0.8076 ( 4514 PWs) bands (ev): -7.4626 -7.4623 -7.3458 -7.3455 -7.1474 -7.1473 -7.0882 -7.0880 -3.0550 -3.0536 -3.0356 -3.0328 -2.4203 -2.4162 -2.3875 -2.3836 -2.3432 -2.3417 -0.4790 -0.4785 -0.2557 -0.2535 0.7324 0.7369 1.7289 1.7342 2.1560 2.1656 2.5535 2.5600 3.5501 3.5520 3.7547 3.7574 4.0785 4.0876 4.2357 4.2592 4.5783 4.6047 4.6691 4.6802 7.7561 7.7622 8.4638 8.4658 9.3415 9.3459 9.6544 9.6595 k = 0.0000 0.0000 0.8283 ( 4510 PWs) bands (ev): -7.4575 -7.4575 -7.3494 -7.3494 -7.1471 -7.1471 -7.0897 -7.0897 -3.0542 -3.0542 -3.0344 -3.0344 -2.4182 -2.4182 -2.3856 -2.3856 -2.3424 -2.3424 -0.4781 -0.4781 -0.2559 -0.2559 0.7324 0.7324 1.7287 1.7287 2.1702 2.1702 2.5470 2.5470 3.5567 3.5567 3.7522 3.7522 4.0906 4.0906 4.2526 4.2526 4.5917 4.5917 4.6748 4.6748 7.7507 7.7507 8.4605 8.4605 9.3529 9.3529 9.6502 9.6502 k = 0.0000 0.0000 0.8283 ( 4510 PWs) bands (ev): -7.4575 -7.4575 -7.3494 -7.3494 -7.1471 -7.1471 -7.0897 -7.0897 -3.0542 -3.0542 -3.0344 -3.0344 -2.4182 -2.4182 -2.3856 -2.3856 -2.3424 -2.3424 -0.4781 -0.4781 -0.2559 -0.2559 0.7324 0.7324 1.7287 1.7287 2.1702 2.1702 2.5470 2.5470 3.5567 3.5567 3.7522 3.7522 4.0906 4.0906 4.2526 4.2526 4.5917 4.5917 4.6748 4.6748 7.7507 7.7507 8.4605 8.4605 9.3529 9.3529 9.6502 9.6502 k =-0.0119 0.0158 0.8283 ( 4514 PWs) bands (ev): -7.4573 -7.4573 -7.3498 -7.3498 -7.1475 -7.1474 -7.0893 -7.0892 -3.0553 -3.0532 -3.0368 -3.0322 -2.4198 -2.4171 -2.3887 -2.3828 -2.3433 -2.3418 -0.4765 -0.4747 -0.2544 -0.2543 0.7313 0.7331 1.7282 1.7297 2.1690 2.1720 2.5471 2.5474 3.5526 3.5567 3.7483 3.7501 4.0897 4.0901 4.2488 4.2555 4.5843 4.5927 4.6738 4.6765 7.7521 7.7551 8.4622 8.4634 9.3561 9.3608 9.6513 9.6546 k =-0.0239 0.0315 0.8283 ( 4526 PWs) bands (ev): -7.4569 -7.4568 -7.3511 -7.3510 -7.1486 -7.1484 -7.0880 -7.0878 -3.0566 -3.0524 -3.0396 -3.0303 -2.4219 -2.4165 -2.3918 -2.3803 -2.3445 -2.3416 -0.4698 -0.4663 -0.2497 -0.2494 0.7300 0.7335 1.7280 1.7310 2.1684 2.1745 2.5477 2.5483 3.5443 3.5526 3.7386 3.7421 4.0876 4.0884 4.2441 4.2573 4.5716 4.5874 4.6735 4.6778 7.7593 7.7652 8.4684 8.4708 9.3701 9.3797 9.6576 9.6643 k =-0.0358 0.0473 0.8283 ( 4522 PWs) bands (ev): -7.4561 -7.4560 -7.3531 -7.3531 -7.1501 -7.1499 -7.0860 -7.0857 -3.0581 -3.0517 -3.0425 -3.0289 -2.4245 -2.4164 -2.3946 -2.3782 -2.3460 -2.3417 -0.4582 -0.4530 -0.2418 -0.2413 0.7284 0.7336 1.7283 1.7328 2.1683 2.1776 2.5489 2.5499 3.5321 3.5444 3.7234 3.7284 4.0842 4.0854 4.2387 4.2580 4.5549 4.5766 4.6730 4.6777 7.7721 7.7809 8.4790 8.4827 9.3941 9.4089 9.6687 9.6789 k =-0.0478 0.0631 0.8283 ( 4530 PWs) bands (ev): -7.4550 -7.4549 -7.3561 -7.3560 -7.1518 -7.1515 -7.0836 -7.0832 -3.0599 -3.0512 -3.0454 -3.0278 -2.4277 -2.4169 -2.3971 -2.3766 -2.3478 -2.3422 -0.4417 -0.4350 -0.2309 -0.2302 0.7265 0.7333 1.7290 1.7350 2.1689 2.1813 2.5506 2.5519 3.5158 3.5322 3.7031 3.7094 4.0795 4.0813 4.2325 4.2575 4.5352 4.5619 4.6713 4.6756 7.7905 7.8020 8.4937 8.4988 9.4267 9.4471 9.6838 9.6977 k =-0.0597 0.0789 0.8283 ( 4534 PWs) bands (ev): -7.4538 -7.4537 -7.3599 -7.3598 -7.1533 -7.1530 -7.0809 -7.0804 -3.0621 -3.0510 -3.0481 -3.0271 -2.4316 -2.4181 -2.3989 -2.3754 -2.3497 -2.3430 -0.4206 -0.4125 -0.2171 -0.2160 0.7241 0.7327 1.7300 1.7377 2.1700 2.1857 2.5527 2.5545 3.4955 3.5162 3.6785 3.6859 4.0737 4.0762 4.2258 4.2558 4.5134 4.5444 4.6675 4.6708 7.8140 7.8281 8.5123 8.5191 9.4656 9.4922 9.7015 9.7195 k =-0.0717 0.0946 0.8283 ( 4528 PWs) bands (ev): -7.4524 -7.4522 -7.3647 -7.3645 -7.1543 -7.1540 -7.0780 -7.0775 -3.0647 -3.0516 -3.0499 -3.0268 -2.4363 -2.4198 -2.4001 -2.3746 -2.3517 -2.3440 -0.3952 -0.3859 -0.2004 -0.1988 0.7215 0.7317 1.7316 1.7408 2.1716 2.1907 2.5552 2.5576 3.4714 3.4963 3.6501 3.6586 4.0667 4.0702 4.2183 4.2529 4.4900 4.5248 4.6612 4.6635 7.8424 7.8589 8.5344 8.5430 9.5076 9.5408 9.7202 9.7428 k =-0.0836 0.1104 0.8283 ( 4530 PWs) bands (ev): -7.4510 -7.4508 -7.3704 -7.3702 -7.1548 -7.1544 -7.0751 -7.0746 -3.0676 -3.0538 -3.0501 -3.0269 -2.4414 -2.4219 -2.4008 -2.3741 -2.3538 -2.3453 -0.3657 -0.3555 -0.1812 -0.1789 0.7184 0.7302 1.7335 1.7444 2.1737 2.1963 2.5581 2.5612 3.4435 3.4726 3.6190 3.6287 4.0588 4.0632 4.2102 4.2489 4.4656 4.5040 4.6523 4.6534 7.8753 7.8940 8.5594 8.5702 9.5481 9.5878 9.7377 9.7657 k =-0.0956 0.1262 0.8283 ( 4520 PWs) bands (ev): -7.4496 -7.4494 -7.3768 -7.3766 -7.1544 -7.1541 -7.0723 -7.0718 -3.0709 -3.0559 -3.0502 -3.0272 -2.4470 -2.4243 -2.4013 -2.3740 -2.3559 -2.3468 -0.3326 -0.3217 -0.1596 -0.1563 0.7150 0.7282 1.7360 1.7487 2.1763 2.2026 2.5613 2.5652 3.4118 3.4454 3.5860 3.5975 4.0500 4.0554 4.2014 4.2438 4.4405 4.4822 4.6408 4.6408 7.9122 7.9329 8.5869 8.6001 9.5809 9.6252 9.7514 9.7857 k =-0.1075 0.1420 0.8283 ( 4518 PWs) bands (ev): -7.4487 -7.4484 -7.3839 -7.3835 -7.1532 -7.1528 -7.0696 -7.0691 -3.0745 -3.0579 -3.0504 -3.0278 -2.4528 -2.4269 -2.4017 -2.3741 -2.3579 -2.3484 -0.2961 -0.2850 -0.1358 -0.1314 0.7112 0.7258 1.7391 1.7535 2.1793 2.2095 2.5646 2.5695 3.3765 3.4145 3.5522 3.5660 4.0404 4.0466 4.1920 4.2378 4.4150 4.4600 4.6259 4.6268 7.9528 7.9751 8.6159 8.6320 9.5988 9.6438 9.7589 9.8000 k =-0.1194 0.1577 0.8283 ( 4530 PWs) bands (ev): -7.4484 -7.4481 -7.3911 -7.3907 -7.1510 -7.1507 -7.0669 -7.0665 -3.0781 -3.0598 -3.0508 -3.0286 -2.4587 -2.4297 -2.4020 -2.3743 -2.3599 -2.3502 -0.2568 -0.2458 -0.1103 -0.1043 0.7070 0.7229 1.7428 1.7591 2.1827 2.2170 2.5681 2.5743 3.3382 3.3803 3.5187 3.5352 4.0301 4.0371 4.1818 4.2309 4.3894 4.4375 4.6089 4.6106 7.9964 8.0201 8.6457 8.6651 9.5964 9.6379 9.7582 9.8050 k =-0.1314 0.1735 0.8283 ( 4534 PWs) bands (ev): -7.4494 -7.4490 -7.3981 -7.3976 -7.1479 -7.1476 -7.0644 -7.0640 -3.0817 -3.0616 -3.0514 -3.0296 -2.4644 -2.4327 -2.4024 -2.3747 -2.3619 -2.3520 -0.2152 -0.2048 -0.0832 -0.0753 0.7027 0.7195 1.7474 1.7655 2.1866 2.2252 2.5717 2.5793 3.2973 3.3431 3.4865 3.5057 4.0192 4.0267 4.1709 4.2233 4.3639 4.4152 4.5901 4.5925 8.0425 8.0673 8.6752 8.6984 9.5732 9.6099 9.7475 9.7966 k =-0.1433 0.1893 0.8283 ( 4546 PWs) bands (ev): -7.4524 -7.4520 -7.4039 -7.4033 -7.1439 -7.1436 -7.0619 -7.0615 -3.0852 -3.0633 -3.0522 -3.0306 -2.4699 -2.4359 -2.4029 -2.3751 -2.3638 -2.3538 -0.1720 -0.1624 -0.0550 -0.0449 0.6984 0.7157 1.7528 1.7730 2.1908 2.2339 2.5752 2.5845 3.2546 3.3035 3.4564 3.4778 4.0077 4.0155 4.1595 4.2151 4.3386 4.3932 4.5698 4.5726 8.0904 8.1160 8.7030 8.7306 9.5337 9.5665 9.7257 9.7723 k =-0.1433 0.1893 0.8283 ( 4546 PWs) bands (ev): -7.4524 -7.4520 -7.4039 -7.4033 -7.1439 -7.1436 -7.0619 -7.0615 -3.0852 -3.0633 -3.0522 -3.0306 -2.4699 -2.4359 -2.4029 -2.3751 -2.3638 -2.3538 -0.1720 -0.1624 -0.0550 -0.0449 0.6984 0.7157 1.7528 1.7730 2.1908 2.2339 2.5752 2.5845 3.2546 3.3035 3.4564 3.4778 4.0077 4.0155 4.1595 4.2151 4.3386 4.3932 4.5698 4.5726 8.0904 8.1160 8.7030 8.7306 9.5337 9.5665 9.7257 9.7723 k =-0.1522 0.2011 0.8135 ( 4544 PWs) bands (ev): -7.4491 -7.4487 -7.4179 -7.4174 -7.1309 -7.1307 -7.0658 -7.0654 -3.0877 -3.0640 -3.0526 -3.0322 -2.4731 -2.4394 -2.4023 -2.3754 -2.3654 -2.3558 -0.1499 -0.1413 -0.0181 -0.0057 0.6917 0.7085 1.7608 1.7803 2.1877 2.2401 2.5770 2.5869 3.2095 3.2607 3.4600 3.4801 3.9790 3.9871 4.1687 4.2080 4.3347 4.3803 4.5443 4.5479 8.1281 8.1545 8.7286 8.7588 9.4773 9.5063 9.7053 9.7469 k =-0.1612 0.2128 0.7987 ( 4548 PWs) bands (ev): -7.4489 -7.4486 -7.4298 -7.4292 -7.1175 -7.1173 -7.0689 -7.0686 -3.0901 -3.0649 -3.0528 -3.0338 -2.4760 -2.4428 -2.4018 -2.3758 -2.3669 -2.3577 -0.1318 -0.1223 0.0232 0.0378 0.6880 0.7038 1.7711 1.7903 2.1775 2.2374 2.5836 2.5958 3.1683 3.2207 3.4629 3.4813 3.9380 3.9459 4.1705 4.1951 4.3382 4.3758 4.5191 4.5236 8.1723 8.1998 8.7550 8.7880 9.4167 9.4423 9.6768 9.7156 k =-0.1701 0.2246 0.7840 ( 4546 PWs) bands (ev): -7.4550 -7.4549 -7.4361 -7.4358 -7.1051 -7.1050 -7.0700 -7.0697 -3.0924 -3.0661 -3.0529 -3.0353 -2.4788 -2.4461 -2.4013 -2.3762 -2.3682 -2.3596 -0.1169 -0.1049 0.0676 0.0841 0.6876 0.7022 1.7837 1.8028 2.1617 2.2272 2.5923 2.6083 3.1325 3.1849 3.4649 3.4813 3.8878 3.8955 4.1617 4.1756 4.3471 4.3784 4.4956 4.5023 8.2222 8.2510 8.7809 8.8165 9.3548 9.3773 9.6410 9.6796 k =-0.1790 0.2364 0.7692 ( 4552 PWs) bands (ev): -7.4662 -7.4660 -7.4379 -7.4377 -7.0972 -7.0969 -7.0662 -7.0661 -3.0945 -3.0674 -3.0529 -3.0366 -2.4813 -2.4493 -2.4008 -2.3767 -2.3694 -2.3614 -0.1046 -0.0892 0.1142 0.1322 0.6910 0.7038 1.7982 1.8176 2.1422 2.2113 2.5999 2.6215 3.1042 3.1546 3.4656 3.4798 3.8312 3.8393 4.1400 4.1498 4.3590 4.3855 4.4752 4.4866 8.2768 8.3069 8.8041 8.8421 9.2947 9.3140 9.5986 9.6385 k =-0.1879 0.2482 0.7544 ( 4540 PWs) bands (ev): -7.4785 -7.4782 -7.4388 -7.4387 -7.0955 -7.0951 -7.0558 -7.0558 -3.0965 -3.0689 -3.0529 -3.0377 -2.4835 -2.4524 -2.4005 -2.3774 -2.3703 -2.3630 -0.0946 -0.0752 0.1619 0.1813 0.6984 0.7090 1.8144 1.8343 2.1201 2.1918 2.6035 2.6323 3.0851 3.1309 3.4638 3.4772 3.7706 3.7807 4.1060 4.1173 4.3710 4.3949 4.4591 4.4788 8.3349 8.3661 8.8221 8.8615 9.2399 9.2558 9.5506 9.5920 k =-0.1968 0.2600 0.7397 ( 4540 PWs) bands (ev): -7.4907 -7.4904 -7.4398 -7.4396 -7.0973 -7.0970 -7.0419 -7.0418 -3.0983 -3.0705 -3.0531 -3.0385 -2.4855 -2.4553 -2.4002 -2.3783 -2.3710 -2.3645 -0.0865 -0.0631 0.2103 0.2307 0.7101 0.7180 1.8317 1.8528 2.0968 2.1698 2.6011 2.6380 3.0766 3.1149 3.4568 3.4738 3.7082 3.7232 4.0632 4.0769 4.3794 4.4060 4.4478 4.4795 8.3950 8.4268 8.8318 8.8705 9.1948 9.2070 9.4987 9.5405 k =-0.2057 0.2717 0.7249 ( 4536 PWs) bands (ev): -7.5025 -7.5022 -7.4409 -7.4407 -7.1005 -7.1001 -7.0268 -7.0266 -3.1000 -3.0722 -3.0535 -3.0389 -2.4873 -2.4579 -2.4001 -2.3795 -2.3713 -2.3656 -0.0804 -0.0529 0.2585 0.2798 0.7260 0.7311 1.8496 1.8727 2.0733 2.1466 2.5923 2.6374 3.0788 3.1067 3.4416 3.4685 3.6469 3.6709 4.0140 4.0296 4.3832 4.4170 4.4432 4.4872 8.4551 8.4865 8.8306 8.8652 9.1630 9.1724 9.4450 9.4859 k =-0.2147 0.2835 0.7101 ( 4545 PWs) bands (ev): -7.5138 -7.5134 -7.4420 -7.4418 -7.1041 -7.1037 -7.0116 -7.0113 -3.1015 -3.0739 -3.0542 -3.0388 -2.4889 -2.4602 -2.4002 -2.3809 -2.3714 -2.3665 -0.0762 -0.0446 0.3060 0.3279 0.7456 0.7485 1.8673 1.8936 2.0506 2.1230 2.5776 2.6305 3.0904 3.1057 3.4153 3.4568 3.5918 3.6280 3.9605 3.9772 4.3842 4.4216 4.4494 4.4993 8.5122 8.5409 8.8196 8.8461 9.1443 9.1550 9.3919 9.4311 k =-0.2236 0.2953 0.6953 ( 4545 PWs) bands (ev): -7.5244 -7.5240 -7.4433 -7.4430 -7.1078 -7.1075 -6.9968 -6.9964 -3.1028 -3.0756 -3.0551 -3.0385 -2.4905 -2.4622 -2.4004 -2.3825 -2.3713 -2.3670 -0.0735 -0.0382 0.3522 0.3744 0.7673 0.7713 1.8835 1.9149 2.0304 2.1003 2.5588 2.6185 3.1077 3.1119 3.3770 3.4302 3.5519 3.5969 3.9045 3.9216 4.3841 4.4211 4.4630 4.5135 8.5607 8.5820 8.8071 8.8211 9.1355 9.1503 9.3426 9.3801 k =-0.2325 0.3071 0.6806 ( 4543 PWs) bands (ev): -7.5343 -7.5339 -7.4444 -7.4441 -7.1116 -7.1113 -6.9826 -6.9821 -3.1039 -3.0772 -3.0563 -3.0378 -2.4920 -2.4636 -2.4010 -2.3842 -2.3711 -2.3672 -0.0724 -0.0335 0.3966 0.4188 0.7912 0.7984 1.8955 1.9349 2.0155 2.0800 2.5375 2.6031 3.1170 3.1343 3.3290 3.3852 3.5312 3.5758 3.8480 3.8650 4.3838 4.4203 4.4783 4.5287 8.5905 8.5984 8.8041 8.8080 9.1290 9.1499 9.3018 9.3391 k =-0.2414 0.3188 0.6658 ( 4554 PWs) bands (ev): -7.5435 -7.5431 -7.4454 -7.4451 -7.1154 -7.1150 -6.9692 -6.9687 -3.1049 -3.0789 -3.0576 -3.0369 -2.4935 -2.4645 -2.4017 -2.3859 -2.3709 -2.3670 -0.0724 -0.0304 0.4385 0.4607 0.8175 0.8283 1.9000 1.9498 2.0104 2.0656 2.5154 2.5858 3.1252 3.1608 3.2763 3.3302 3.5218 3.5608 3.7928 3.8094 4.3834 4.4201 4.4934 4.5439 8.5855 8.5918 8.8103 8.8272 9.1146 9.1435 9.2775 9.3170 k =-0.2503 0.3306 0.6510 ( 4561 PWs) bands (ev): -7.5519 -7.5515 -7.4462 -7.4459 -7.1191 -7.1187 -6.9568 -6.9562 -3.1058 -3.0804 -3.0589 -3.0359 -2.4950 -2.4650 -2.4028 -2.3874 -2.3707 -2.3665 -0.0734 -0.0287 0.4776 0.4996 0.8453 0.8598 1.8952 1.9541 2.0181 2.0619 2.4940 2.5681 3.1292 3.1859 3.2254 3.2743 3.5163 3.5485 3.7412 3.7570 4.3831 4.4205 4.5078 4.5586 8.5561 8.5678 8.8355 8.8563 9.0883 9.1209 9.2790 9.3172 k =-0.2592 0.3424 0.6363 ( 4556 PWs) bands (ev): -7.5595 -7.5591 -7.4467 -7.4464 -7.1226 -7.1223 -6.9454 -6.9448 -3.1065 -3.0818 -3.0602 -3.0348 -2.4967 -2.4648 -2.4041 -2.3888 -2.3706 -2.3657 -0.0750 -0.0281 0.5134 0.5352 0.8737 0.8916 1.8843 1.9469 2.0344 2.0716 2.4741 2.5512 3.1166 3.1851 3.1926 3.2406 3.5107 3.5360 3.6958 3.7103 4.3828 4.4214 4.5213 4.5726 8.5204 8.5334 8.8670 8.8856 9.0547 9.0854 9.3020 9.3345 k =-0.2682 0.3542 0.6215 ( 4546 PWs) bands (ev): -7.5662 -7.5659 -7.4469 -7.4466 -7.1261 -7.1258 -6.9353 -6.9346 -3.1071 -3.0832 -3.0615 -3.0337 -2.4983 -2.4642 -2.4058 -2.3900 -2.3705 -2.3648 -0.0771 -0.0283 0.5456 0.5672 0.9014 0.9224 1.8715 1.9336 2.0542 2.0912 2.4567 2.5360 3.0767 3.1433 3.1766 3.2563 3.5013 3.5229 3.6596 3.6717 4.3824 4.4225 4.5337 4.5856 8.4845 8.4973 8.8963 8.9117 9.0195 9.0459 9.3357 9.3626 k =-0.2771 0.3659 0.6067 ( 4536 PWs) bands (ev): -7.5722 -7.5718 -7.4468 -7.4464 -7.1294 -7.1291 -6.9264 -6.9257 -3.1076 -3.0843 -3.0628 -3.0326 -2.5000 -2.4631 -2.4077 -2.3909 -2.3704 -2.3636 -0.0794 -0.0292 0.5736 0.5953 0.9270 0.9507 1.8595 1.9190 2.0751 2.1159 2.4423 2.5230 3.0257 3.0890 3.1748 3.2785 3.4854 3.5106 3.6345 3.6431 4.3819 4.4238 4.5449 4.5974 8.4515 8.4636 8.9181 8.9356 8.9869 9.0080 9.3719 9.3974 k =-0.2860 0.3777 0.5919 ( 4542 PWs) bands (ev): -7.5773 -7.5769 -7.4462 -7.4459 -7.1326 -7.1323 -6.9189 -6.9181 -3.1080 -3.0853 -3.0640 -3.0315 -2.5016 -2.4616 -2.4098 -2.3916 -2.3704 -2.3625 -0.0817 -0.0305 0.5970 0.6191 0.9493 0.9749 1.8502 1.9061 2.0964 2.1427 2.4317 2.5129 2.9734 3.0353 3.1735 3.2967 3.4668 3.4991 3.6195 3.6248 4.3812 4.4251 4.5549 4.6078 8.4233 8.4347 8.9257 8.9557 8.9624 8.9788 9.4054 9.4345 k =-0.2949 0.3895 0.5772 ( 4538 PWs) bands (ev): -7.5815 -7.5811 -7.4453 -7.4449 -7.1356 -7.1354 -6.9127 -6.9119 -3.1083 -3.0862 -3.0650 -3.0304 -2.5032 -2.4598 -2.4121 -2.3920 -2.3703 -2.3613 -0.0838 -0.0320 0.6156 0.6383 0.9670 0.9940 1.8442 1.8967 2.1172 2.1698 2.4252 2.5061 2.9225 2.9838 3.1714 3.3068 3.4533 3.4882 3.6112 3.6160 4.3803 4.4262 4.5636 4.6167 8.4008 8.4120 8.9122 8.9310 8.9749 8.9810 9.4334 9.4693 k =-0.3038 0.4013 0.5624 ( 4539 PWs) bands (ev): -7.5848 -7.5845 -7.4439 -7.4435 -7.1385 -7.1382 -6.9079 -6.9071 -3.1086 -3.0868 -3.0660 -3.0294 -2.5047 -2.4577 -2.4145 -2.3922 -2.3703 -2.3601 -0.0856 -0.0336 0.6287 0.6524 0.9794 1.0071 1.8414 1.8920 2.1370 2.1960 2.4233 2.5030 2.8743 2.9350 3.1693 3.3070 3.4501 3.4790 3.6066 3.6151 4.3790 4.4271 4.5709 4.6240 8.3849 8.3962 8.8918 8.9030 8.9852 9.0013 9.4541 9.4978 k =-0.3127 0.4130 0.5476 ( 4539 PWs) bands (ev): -7.5872 -7.5869 -7.4421 -7.4418 -7.1412 -7.1409 -6.9046 -6.9038 -3.1088 -3.0872 -3.0668 -3.0285 -2.5060 -2.4554 -2.4170 -2.3922 -2.3702 -2.3590 -0.0870 -0.0351 0.6361 0.6607 0.9860 1.0140 1.8413 1.8928 2.1550 2.2201 2.4262 2.5035 2.8304 2.8898 3.1684 3.2999 3.4561 3.4721 3.6051 3.6193 4.3775 4.4276 4.5768 4.6294 8.3763 8.3879 8.8730 8.8780 8.9985 9.0212 9.4659 9.5170 k =-0.3217 0.4248 0.5329 ( 4536 PWs) bands (ev): -7.5888 -7.5884 -7.4399 -7.4395 -7.1437 -7.1434 -6.9028 -6.9019 -3.1090 -3.0875 -3.0674 -3.0277 -2.5072 -2.4528 -2.4195 -2.3920 -2.3702 -2.3580 -0.0879 -0.0364 0.6372 0.6628 0.9873 1.0148 1.8430 1.8988 2.1709 2.2409 2.4337 2.5078 2.7926 2.8492 3.1700 3.2904 3.4645 3.4708 3.6066 3.6272 4.3756 4.4278 4.5813 4.6332 8.3752 8.3876 8.8566 8.8577 9.0135 9.0412 9.4677 9.5254 k =-0.3217 0.4248 0.5329 ( 4536 PWs) bands (ev): -7.5888 -7.5884 -7.4399 -7.4395 -7.1437 -7.1434 -6.9028 -6.9019 -3.1090 -3.0875 -3.0674 -3.0277 -2.5072 -2.4528 -2.4195 -2.3920 -2.3702 -2.3580 -0.0879 -0.0364 0.6372 0.6628 0.9873 1.0148 1.8430 1.8988 2.1709 2.2409 2.4337 2.5078 2.7926 2.8492 3.1700 3.2904 3.4645 3.4708 3.6066 3.6272 4.3756 4.4278 4.5813 4.6332 8.3752 8.3876 8.8566 8.8577 9.0135 9.0412 9.4677 9.5254 k =-0.3127 0.4130 0.5181 ( 4532 PWs) bands (ev): -7.5926 -7.5921 -7.4364 -7.4361 -7.1450 -7.1448 -6.8992 -6.8984 -3.1098 -3.0864 -3.0651 -3.0267 -2.5062 -2.4523 -2.4184 -2.3884 -2.3709 -2.3568 -0.1010 -0.0517 0.6548 0.6832 1.0072 1.0286 1.8145 1.8648 2.1490 2.2186 2.4256 2.4951 2.7624 2.8177 3.1376 3.2587 3.4527 3.4870 3.5998 3.6545 4.3890 4.4386 4.6011 4.6516 8.4360 8.4478 8.9094 8.9111 9.0885 9.1152 9.4708 9.5219 k =-0.3038 0.4012 0.5033 ( 4530 PWs) bands (ev): -7.6019 -7.6014 -7.4292 -7.4288 -7.1442 -7.1441 -6.8956 -6.8947 -3.1102 -3.0852 -3.0626 -3.0257 -2.5047 -2.4516 -2.4172 -2.3848 -2.3717 -2.3557 -0.1162 -0.0695 0.6611 0.6921 1.0413 1.0561 1.7857 1.8312 2.1281 2.1994 2.4209 2.4851 2.7276 2.7834 3.1052 3.2235 3.4450 3.5091 3.6006 3.6849 4.3962 4.4424 4.6197 4.6681 8.4986 8.5099 8.9573 8.9601 9.1550 9.1814 9.4755 9.5174 k =-0.2949 0.3894 0.4885 ( 4526 PWs) bands (ev): -7.6162 -7.6157 -7.4184 -7.4180 -7.1416 -7.1415 -6.8920 -6.8911 -3.1103 -3.0839 -3.0599 -3.0248 -2.5029 -2.4507 -2.4157 -2.3812 -2.3726 -2.3547 -0.1332 -0.0893 0.6586 0.6918 1.0856 1.0947 1.7568 1.7983 2.1082 2.1828 2.4204 2.4785 2.6889 2.7466 3.0729 3.1864 3.4447 3.5308 3.6096 3.7177 4.3970 4.4396 4.6364 4.6823 8.5627 8.5736 8.9999 9.0043 9.2106 9.2388 9.4822 9.5157 k =-0.2859 0.3776 0.4737 ( 4534 PWs) bands (ev): -7.6345 -7.6340 -7.4048 -7.4044 -7.1374 -7.1373 -6.8883 -6.8874 -3.1099 -3.0826 -3.0571 -3.0240 -2.5006 -2.4496 -2.4141 -2.3778 -2.3735 -2.3538 -0.1518 -0.1108 0.6505 0.6854 1.1344 1.1420 1.7282 1.7671 2.0892 2.1683 2.4244 2.4761 2.6474 2.7080 3.0414 3.1489 3.4503 3.5505 3.6270 3.7526 4.3914 4.4307 4.6505 4.6940 8.6277 8.6383 9.0368 9.0432 9.2540 9.2872 9.4886 9.5211 k =-0.2770 0.3658 0.4589 ( 4534 PWs) bands (ev): -7.6558 -7.6553 -7.3890 -7.3887 -7.1318 -7.1316 -6.8846 -6.8837 -3.1091 -3.0811 -3.0542 -3.0232 -2.4979 -2.4483 -2.4124 -2.3751 -2.3738 -2.3530 -0.1716 -0.1337 0.6393 0.6755 1.1833 1.1951 1.7008 1.7385 2.0711 2.1549 2.4330 2.4779 2.6038 2.6680 3.0115 3.1126 3.4603 3.5675 3.6521 3.7892 4.3797 4.4161 4.6613 4.7030 8.6928 8.7032 9.0679 9.0766 9.2869 9.3262 9.4935 9.5344 k =-0.2681 0.3540 0.4440 ( 4550 PWs) bands (ev): -7.6793 -7.6789 -7.3718 -7.3714 -7.1252 -7.1250 -6.8809 -6.8800 -3.1080 -3.0796 -3.0513 -3.0226 -2.4948 -2.4468 -2.4105 -2.3757 -2.3710 -2.3523 -0.1924 -0.1576 0.6264 0.6638 1.2304 1.2496 1.6756 1.7140 2.0538 2.1420 2.4457 2.4838 2.5591 2.6275 2.9847 3.0790 3.4733 3.5823 3.6829 3.8271 4.3622 4.3964 4.6685 4.7090 8.7570 8.7675 9.0937 9.1048 9.3130 9.3563 9.4995 9.5508 k =-0.2591 0.3422 0.4292 ( 4536 PWs) bands (ev): -7.7043 -7.7040 -7.3534 -7.3530 -7.1177 -7.1174 -6.8772 -6.8763 -3.1065 -3.0779 -3.0483 -3.0221 -2.4914 -2.4452 -2.4084 -2.3768 -2.3679 -2.3517 -0.2138 -0.1821 0.6130 0.6515 1.2733 1.3016 1.6548 1.6957 2.0370 2.1292 2.4611 2.4910 2.5156 2.5876 2.9626 3.0496 3.4880 3.5954 3.7176 3.8661 4.3395 4.3722 4.6720 4.7123 8.8189 8.8297 9.1151 9.1286 9.3361 9.3797 9.5066 9.5658 k =-0.2502 0.3304 0.4144 ( 4527 PWs) bands (ev): -7.7305 -7.7301 -7.3342 -7.3339 -7.1095 -7.1091 -6.8736 -6.8727 -3.1047 -3.0761 -3.0453 -3.0216 -2.4876 -2.4434 -2.4063 -2.3780 -2.3650 -2.3512 -0.2357 -0.2070 0.5997 0.6392 1.3086 1.3470 1.6416 1.6863 2.0208 2.1162 2.4625 2.4781 2.5061 2.5519 2.9473 3.0261 3.5035 3.6068 3.7547 3.9053 4.3121 4.3442 4.6718 4.7129 8.8764 8.8878 9.1333 9.1495 9.3593 9.3997 9.5127 9.5764 k =-0.2412 0.3186 0.3996 ( 4527 PWs) bands (ev): -7.7573 -7.7570 -7.3144 -7.3141 -7.1008 -7.1004 -6.8700 -6.8691 -3.1025 -3.0742 -3.0423 -3.0213 -2.4834 -2.4415 -2.4041 -2.3792 -2.3622 -2.3509 -0.2577 -0.2319 0.5868 0.6274 1.3333 1.3805 1.6410 1.6881 2.0050 2.1027 2.4187 2.4752 2.5147 2.5344 2.9412 3.0104 3.5187 3.6160 3.7933 3.9441 4.2807 4.3134 4.6682 4.7114 8.9262 8.9387 9.1501 9.1699 9.3847 9.4202 9.5147 9.5800 k =-0.2323 0.3068 0.3848 ( 4535 PWs) bands (ev): -7.7845 -7.7842 -7.2942 -7.2939 -7.0917 -7.0913 -6.8664 -6.8656 -3.1000 -3.0723 -3.0394 -3.0211 -2.4790 -2.4395 -2.4019 -2.3804 -2.3596 -2.3506 -0.2796 -0.2567 0.5748 0.6165 1.3460 1.3976 1.6573 1.7021 1.9896 2.0890 2.3735 2.4454 2.5265 2.5390 2.9467 3.0047 3.5329 3.6224 3.8325 3.9805 4.2463 4.2817 4.6615 4.7082 8.9639 8.9781 9.1685 9.1929 9.4122 9.4438 9.5100 9.5724 k =-0.2234 0.2950 0.3700 ( 4549 PWs) bands (ev): -7.8119 -7.8116 -7.2737 -7.2734 -7.0823 -7.0819 -6.8629 -6.8621 -3.0973 -3.0703 -3.0365 -3.0209 -2.4744 -2.4373 -2.3997 -2.3816 -2.3571 -2.3505 -0.3014 -0.2811 0.5637 0.6066 1.3478 1.3990 1.6895 1.7266 1.9746 2.0751 2.3289 2.4077 2.5343 2.5487 2.9652 3.0112 3.5451 3.6253 3.8712 4.0112 4.2104 4.2530 4.6523 4.7040 8.9851 9.0012 9.1918 9.2207 9.4319 9.4702 9.5039 9.5475 k =-0.2144 0.2832 0.3552 ( 4559 PWs) bands (ev): -7.8391 -7.8389 -7.2531 -7.2529 -7.0728 -7.0724 -6.8595 -6.8587 -3.0944 -3.0682 -3.0338 -3.0208 -2.4695 -2.4350 -2.3975 -2.3828 -2.3549 -2.3504 -0.3227 -0.3049 0.5537 0.5980 1.3418 1.3900 1.7322 1.7578 1.9605 2.0614 2.2851 2.3689 2.5359 2.5568 2.9968 3.0308 3.5546 3.6243 3.9076 4.0298 4.1746 4.2345 4.6414 4.6997 8.9875 9.0053 9.2214 9.2530 9.4101 9.4660 9.5238 9.5319 k =-0.2055 0.2714 0.3404 ( 4567 PWs) bands (ev): -7.8662 -7.8660 -7.2325 -7.2322 -7.0633 -7.0628 -6.8562 -6.8555 -3.0912 -3.0660 -3.0312 -3.0208 -2.4643 -2.4326 -2.3954 -2.3841 -2.3528 -2.3505 -0.3434 -0.3278 0.5451 0.5908 1.3310 1.3759 1.7793 1.7917 1.9478 2.0487 2.2426 2.3306 2.5332 2.5607 3.0403 3.0634 3.5605 3.6188 3.9370 4.0291 4.1425 4.2353 4.6296 4.6958 8.9720 8.9911 9.2547 9.2837 9.3524 9.3942 9.5612 9.5707 k =-0.1966 0.2596 0.3256 ( 4565 PWs) bands (ev): -7.8929 -7.8927 -7.2119 -7.2117 -7.0537 -7.0532 -6.8530 -6.8523 -3.0879 -3.0639 -3.0288 -3.0209 -2.4591 -2.4300 -2.3934 -2.3853 -2.3510 -2.3506 -0.3635 -0.3499 0.5378 0.5850 1.3180 1.3598 1.8168 1.8334 1.9380 2.0383 2.2016 2.2934 2.5280 2.5603 3.0935 3.1072 3.5617 3.6094 3.9490 4.0119 4.1226 4.2557 4.6178 4.6933 8.9403 8.9607 9.2475 9.2805 9.3105 9.3436 9.5825 9.6193 k =-0.1876 0.2478 0.3108 ( 4557 PWs) bands (ev): -7.9190 -7.9188 -7.1915 -7.1913 -7.0443 -7.0437 -6.8499 -6.8492 -3.0844 -3.0618 -3.0265 -3.0209 -2.4537 -2.4274 -2.3916 -2.3864 -2.3509 -2.3493 -0.3828 -0.3709 0.5321 0.5807 1.3045 1.3436 1.8366 1.8814 1.9338 2.0332 2.1623 2.2577 2.5220 2.5568 3.1537 3.1596 3.5569 3.5976 3.9330 3.9860 4.1263 4.2880 4.6071 4.6926 8.8940 8.9158 9.1589 9.1923 9.3362 9.3709 9.5787 9.6317 k =-0.1787 0.2360 0.2960 ( 4553 PWs) bands (ev): -7.9445 -7.9444 -7.1714 -7.1712 -7.0350 -7.0344 -6.8470 -6.8463 -3.0809 -3.0597 -3.0246 -3.0209 -2.4482 -2.4246 -2.3899 -2.3874 -2.3513 -2.3479 -0.4013 -0.3908 0.5279 0.5779 1.2914 1.3283 1.8415 1.9167 1.9439 2.0374 2.1254 2.2242 2.5162 2.5516 3.2150 3.2202 3.5441 3.5871 3.8979 3.9529 4.1512 4.3259 4.5982 4.6943 8.8347 8.8581 9.0591 9.0896 9.3663 9.3996 9.5746 9.6256 k =-0.1698 0.2242 0.2812 ( 4561 PWs) bands (ev): -7.9693 -7.9692 -7.1515 -7.1514 -7.0259 -7.0253 -6.8442 -6.8435 -3.0773 -3.0576 -3.0232 -3.0207 -2.4427 -2.4218 -2.3891 -2.3877 -2.3519 -2.3467 -0.4188 -0.4094 0.5252 0.5768 1.2795 1.3147 1.8350 1.9178 1.9810 2.0510 2.0933 2.1938 2.5115 2.5458 3.2715 3.2865 3.5236 3.5817 3.8559 3.9168 4.1861 4.3660 4.5921 4.6984 8.7642 8.7890 8.9559 8.9845 9.3823 9.4197 9.5807 9.6255 k =-0.1608 0.2124 0.2664 ( 4553 PWs) bands (ev): -7.9932 -7.9931 -7.1322 -7.1320 -7.0170 -7.0165 -6.8415 -6.8409 -3.0737 -3.0556 -3.0225 -3.0200 -2.4372 -2.4188 -2.3898 -2.3865 -2.3525 -2.3457 -0.4354 -0.4268 0.5242 0.5771 1.2694 1.3033 1.8227 1.9079 2.0113 2.0551 2.0855 2.1695 2.5086 2.5403 3.3193 3.3488 3.5007 3.5850 3.8131 3.8828 4.2250 4.4063 4.5895 4.7050 8.6843 8.7104 8.8518 8.8789 9.3753 9.4229 9.6012 9.6405 k =-0.1519 0.2006 0.2516 ( 4557 PWs) bands (ev): -8.0163 -8.0162 -7.1133 -7.1132 -7.0084 -7.0079 -6.8390 -6.8384 -3.0702 -3.0536 -3.0223 -3.0189 -2.4318 -2.4159 -2.3906 -2.3851 -2.3532 -2.3449 -0.4510 -0.4430 0.5247 0.5789 1.2614 1.2943 1.8076 1.8938 2.0055 2.0554 2.1076 2.1580 2.5079 2.5355 3.3494 3.3901 3.4898 3.6008 3.7754 3.8566 4.2654 4.4453 4.5913 4.7139 8.5968 8.6236 8.7488 8.7739 9.3469 9.4024 9.6356 9.6734 k =-0.1430 0.1888 0.2368 ( 4565 PWs) bands (ev): -8.0383 -8.0382 -7.0949 -7.0948 -7.0002 -6.9997 -6.8366 -6.8361 -3.0666 -3.0518 -3.0224 -3.0178 -2.4265 -2.4129 -2.3914 -2.3839 -2.3541 -2.3444 -0.4656 -0.4578 0.5268 0.5821 1.2558 1.2879 1.7911 1.8778 1.9799 2.0507 2.1320 2.1662 2.5095 2.5319 3.3577 3.3873 3.5081 3.6185 3.7579 3.8460 4.3063 4.4814 4.5984 4.7249 8.5030 8.5297 8.6486 8.6709 9.3028 9.3606 9.6804 9.7188 k =-0.1340 0.1770 0.2220 ( 4567 PWs) bands (ev): -8.0593 -8.0592 -7.0772 -7.0772 -6.9923 -6.9918 -6.8344 -6.8340 -3.0632 -3.0500 -3.0225 -3.0170 -2.4213 -2.4099 -2.3920 -2.3826 -2.3550 -2.3440 -0.4790 -0.4715 0.5303 0.5866 1.2527 1.2844 1.7741 1.8611 1.9528 2.0333 2.1518 2.1866 2.5136 2.5299 3.3499 3.3605 3.5277 3.6088 3.7849 3.8607 4.3469 4.5130 4.6121 4.7375 8.4036 8.4294 8.5530 8.5715 9.2475 9.3039 9.7315 9.7715 k =-0.1251 0.1652 0.2072 ( 4569 PWs) bands (ev): -8.0792 -8.0792 -7.0603 -7.0602 -6.9849 -6.9844 -6.8324 -6.8320 -3.0598 -3.0483 -3.0226 -3.0164 -2.4165 -2.4071 -2.3924 -2.3813 -2.3561 -2.3438 -0.4914 -0.4839 0.5353 0.5922 1.2523 1.2839 1.7568 1.8445 1.9271 2.0112 2.1648 2.2076 2.5201 2.5301 3.3288 3.3337 3.5274 3.5755 3.8463 3.9034 4.3872 4.5389 4.6328 4.7514 8.2996 8.3239 8.4630 8.4773 9.1843 9.2374 9.7861 9.8283 k =-0.1162 0.1534 0.1924 ( 4563 PWs) bands (ev): -8.0980 -8.0979 -7.0441 -7.0440 -6.9778 -6.9774 -6.8306 -6.8303 -3.0566 -3.0467 -3.0227 -3.0160 -2.4119 -2.4044 -2.3926 -2.3800 -2.3573 -2.3438 -0.5027 -0.4953 0.5415 0.5987 1.2547 1.2864 1.7398 1.8285 1.9033 1.9880 2.1703 2.2230 2.5284 2.5331 3.2979 3.3147 3.5103 3.5350 3.9211 3.9664 4.4270 4.5600 4.6593 4.7662 8.1919 8.2144 8.3789 8.3896 9.1162 9.1653 9.8425 9.8875 k =-0.1072 0.1416 0.1776 ( 4561 PWs) bands (ev): -8.1155 -8.1155 -7.0287 -7.0286 -6.9712 -6.9708 -6.8290 -6.8287 -3.0535 -3.0453 -3.0228 -3.0158 -2.4077 -2.4021 -2.3926 -2.3785 -2.3586 -2.3440 -0.5128 -0.5055 0.5489 0.6060 1.2597 1.2920 1.7231 1.8136 1.8816 1.9650 2.1679 2.2299 2.5364 2.5405 3.2703 3.2961 3.4838 3.4938 4.0006 4.0401 4.4663 4.5786 4.6889 4.7815 8.0820 8.1028 8.3008 8.3087 9.0456 9.0904 9.8994 9.9475 k =-0.0983 0.1298 0.1628 ( 4559 PWs) bands (ev): -8.1318 -8.1318 -7.0143 -7.0142 -6.9651 -6.9647 -6.8276 -6.8273 -3.0506 -3.0439 -3.0229 -3.0159 -2.4038 -2.4002 -2.3922 -2.3767 -2.3599 -2.3443 -0.5219 -0.5148 0.5573 0.6137 1.2675 1.3006 1.7072 1.8001 1.8622 1.9427 2.1578 2.2273 2.5442 2.5511 3.2472 3.2798 3.4515 3.4562 4.0806 4.1177 4.5056 4.5969 4.7193 4.7970 7.9714 7.9907 8.2286 8.2348 8.9748 9.0153 9.9559 10.0071 k =-0.0894 0.1180 0.1480 ( 4559 PWs) bands (ev): -8.1468 -8.1468 -7.0008 -7.0007 -6.9594 -6.9590 -6.8264 -6.8261 -3.0479 -3.0425 -3.0229 -3.0162 -2.4004 -2.3987 -2.3916 -2.3747 -2.3614 -2.3447 -0.5299 -0.5231 0.5665 0.6215 1.2778 1.3120 1.6923 1.7884 1.8453 1.9214 2.1404 2.2154 2.5529 2.5618 3.2291 3.2667 3.4152 3.4252 4.1580 4.1948 4.5453 4.6165 4.7491 4.8126 7.8618 7.8795 8.1623 8.1679 8.9054 8.9418 10.0111 10.0651 k =-0.0804 0.1062 0.1332 ( 4563 PWs) bands (ev): -8.1605 -8.1604 -6.9883 -6.9882 -6.9542 -6.9539 -6.8254 -6.8251 -3.0453 -3.0412 -3.0230 -3.0166 -2.3978 -2.3973 -2.3908 -2.3725 -2.3628 -2.3452 -0.5369 -0.5305 0.5763 0.6293 1.2905 1.3261 1.6786 1.7789 1.8308 1.9010 2.1164 2.1952 2.5617 2.5717 3.2161 3.2568 3.3817 3.3967 4.2303 4.2676 4.5863 4.6390 4.7776 4.8279 7.7546 7.7708 8.1023 8.1078 8.8389 8.8713 10.0642 10.1202 k =-0.0715 0.0944 0.1184 ( 4567 PWs) bands (ev): -8.1728 -8.1727 -6.9770 -6.9768 -6.9496 -6.9493 -6.8245 -6.8243 -3.0430 -3.0400 -3.0230 -3.0172 -2.3969 -2.3949 -2.3899 -2.3702 -2.3643 -2.3458 -0.5430 -0.5370 0.5865 0.6367 1.3052 1.3425 1.6664 1.7718 1.8191 1.8815 2.0871 2.1683 2.5694 2.5800 3.2077 3.2497 3.3527 3.3713 4.2951 4.3329 4.6290 4.6658 4.8045 4.8429 7.6514 7.6659 8.0488 8.0543 8.7765 8.8052 10.1146 10.1711 k =-0.0625 0.0826 0.1036 ( 4567 PWs) bands (ev): -8.1837 -8.1837 -6.9668 -6.9666 -6.9454 -6.9452 -6.8239 -6.8236 -3.0409 -3.0388 -3.0231 -3.0180 -2.3962 -2.3931 -2.3887 -2.3681 -2.3654 -2.3465 -0.5482 -0.5427 0.5968 0.6434 1.3217 1.3605 1.6563 1.7674 1.8100 1.8629 2.0536 2.1363 2.5757 2.5864 3.2030 3.2443 3.3291 3.3499 4.3506 4.3878 4.6735 4.6980 4.8297 4.8577 7.5536 7.5666 8.0017 8.0072 8.7194 8.7443 10.1617 10.2168 k =-0.0536 0.0708 0.0888 ( 4575 PWs) bands (ev): -8.1932 -8.1932 -6.9577 -6.9576 -6.9418 -6.9416 -6.8234 -6.8231 -3.0390 -3.0376 -3.0232 -3.0189 -2.3955 -2.3919 -2.3872 -2.3683 -2.3644 -2.3472 -0.5524 -0.5476 0.6071 0.6492 1.3394 1.3794 1.6488 1.7656 1.8038 1.8451 2.0174 2.1006 2.5802 2.5907 3.2009 3.2394 3.3114 3.3328 4.3960 4.4305 4.7186 4.7350 4.8534 4.8726 7.4630 7.4743 7.9613 7.9665 8.6683 8.6896 10.2048 10.2562 k =-0.0447 0.0590 0.0740 ( 4585 PWs) bands (ev): -8.2013 -8.2013 -6.9500 -6.9498 -6.9388 -6.9386 -6.8230 -6.8228 -3.0375 -3.0364 -3.0233 -3.0198 -2.3948 -2.3913 -2.3856 -2.3697 -2.3622 -2.3479 -0.5559 -0.5517 0.6170 0.6538 1.3576 1.3979 1.6449 1.7663 1.8002 1.8287 1.9802 2.0629 2.5832 2.5931 3.2003 3.2337 3.3002 3.3202 4.4316 4.4616 4.7615 4.7737 4.8765 4.8881 7.3815 7.3910 7.9274 7.9322 8.6241 8.6419 10.2436 10.2887 k =-0.0357 0.0472 0.0592 ( 4593 PWs) bands (ev): -8.2079 -8.2079 -6.9435 -6.9434 -6.9362 -6.9361 -6.8228 -6.8226 -3.0361 -3.0353 -3.0235 -3.0207 -2.3942 -2.3910 -2.3840 -2.3713 -2.3600 -2.3487 -0.5586 -0.5552 0.6264 0.6570 1.3757 1.4143 1.6457 1.7685 1.7968 1.8165 1.9438 2.0246 2.5850 2.5938 3.2003 3.2271 3.2946 3.3117 4.4587 4.4830 4.7986 4.8087 4.8995 4.9052 7.3109 7.3186 7.8999 7.9041 8.5874 8.6016 10.2775 10.3137 k =-0.0268 0.0354 0.0444 ( 4585 PWs) bands (ev): -8.2131 -8.2131 -6.9384 -6.9383 -6.9342 -6.9341 -6.8226 -6.8224 -3.0350 -3.0343 -3.0236 -3.0216 -2.3935 -2.3910 -2.3824 -2.3730 -2.3579 -2.3496 -0.5606 -0.5580 0.6350 0.6586 1.3929 1.4267 1.6525 1.7671 1.7909 1.8153 1.9111 1.9870 2.5861 2.5934 3.2008 3.2204 3.2930 3.3062 4.4786 4.4968 4.8270 4.8352 4.9224 4.9244 7.2533 7.2592 7.8789 7.8822 8.5587 8.5694 10.3061 10.3311 k =-0.0179 0.0236 0.0296 ( 4585 PWs) bands (ev): -8.2168 -8.2168 -6.9348 -6.9347 -6.9328 -6.9327 -6.8225 -6.8224 -3.0341 -3.0335 -3.0237 -3.0224 -2.3929 -2.3911 -2.3808 -2.3746 -2.3561 -2.3506 -0.5618 -0.5600 0.6425 0.6586 1.4084 1.4338 1.6657 1.7534 1.7926 1.8204 1.8867 1.9515 2.5870 2.5921 3.2017 3.2143 3.2937 3.3027 4.4928 4.5047 4.8460 4.8517 4.9427 4.9433 7.2107 7.2147 7.8641 7.8664 8.5384 8.5455 10.3289 10.3420 k =-0.0089 0.0118 0.0148 ( 4581 PWs) bands (ev): -8.2190 -8.2190 -6.9326 -6.9326 -6.9318 -6.9318 -6.8224 -6.8224 -3.0335 -3.0331 -3.0237 -3.0231 -2.3923 -2.3914 -2.3793 -2.3762 -2.3544 -2.3517 -0.5624 -0.5615 0.6488 0.6570 1.4211 1.4348 1.6848 1.7318 1.8008 1.8206 1.8799 1.9196 2.5879 2.5906 3.2033 3.2094 3.2956 3.3001 4.5021 4.5080 4.8571 4.8599 4.9567 4.9571 7.1848 7.1868 7.8555 7.8567 8.5269 8.5304 10.3443 10.3477 k = 0.0000 0.0000 0.0000 ( 4579 PWs) bands (ev): -8.2198 -8.2198 -6.9320 -6.9320 -6.9314 -6.9314 -6.8224 -6.8224 -3.0331 -3.0331 -3.0235 -3.0235 -2.3918 -2.3918 -2.3777 -2.3777 -2.3529 -2.3529 -0.5622 -0.5622 0.6537 0.6537 1.4303 1.4303 1.7078 1.7078 1.8115 1.8115 1.8939 1.8939 2.5891 2.5891 3.2058 3.2058 3.2978 3.2978 4.5070 4.5070 4.8615 4.8615 4.9619 4.9619 7.1767 7.1767 7.8531 7.8531 8.5242 8.5242 10.3493 10.3493 k = 0.0000 0.0000 0.0000 ( 4579 PWs) bands (ev): -8.2198 -8.2198 -6.9320 -6.9320 -6.9314 -6.9314 -6.8224 -6.8224 -3.0331 -3.0331 -3.0235 -3.0235 -2.3918 -2.3918 -2.3777 -2.3777 -2.3529 -2.3529 -0.5622 -0.5622 0.6537 0.6537 1.4303 1.4303 1.7078 1.7078 1.8115 1.8115 1.8939 1.8939 2.5891 2.5891 3.2058 3.2058 3.2978 3.2978 4.5070 4.5070 4.8615 4.8615 4.9619 4.9619 7.1767 7.1767 7.8531 7.8531 8.5242 8.5242 10.3493 10.3493 k = 0.0167 0.0126 0.0000 ( 4587 PWs) bands (ev): -8.2190 -8.2190 -6.9320 -6.9320 -6.9314 -6.9314 -6.8235 -6.8235 -3.0336 -3.0336 -3.0233 -3.0233 -2.3927 -2.3927 -2.3771 -2.3771 -2.3530 -2.3530 -0.5608 -0.5608 0.6490 0.6490 1.4357 1.4357 1.7085 1.7085 1.8127 1.8127 1.8930 1.8930 2.5925 2.5925 3.2070 3.2070 3.2990 3.2990 4.5036 4.5036 4.8577 4.8577 4.9598 4.9598 7.1804 7.1804 7.8583 7.8583 8.5252 8.5252 10.3338 10.3338 k = 0.0333 0.0252 0.0000 ( 4587 PWs) bands (ev): -8.2168 -8.2168 -6.9321 -6.9321 -6.9315 -6.9315 -6.8270 -6.8270 -3.0349 -3.0349 -3.0228 -3.0228 -2.3952 -2.3952 -2.3757 -2.3757 -2.3533 -2.3533 -0.5565 -0.5565 0.6355 0.6355 1.4514 1.4514 1.7105 1.7105 1.8163 1.8163 1.8905 1.8905 2.6026 2.6026 3.2106 3.2106 3.3026 3.3026 4.4934 4.4934 4.8466 4.8466 4.9534 4.9534 7.1914 7.1914 7.8739 7.8739 8.5284 8.5284 10.2898 10.2899 k = 0.0500 0.0379 0.0000 ( 4587 PWs) bands (ev): -8.2130 -8.2130 -6.9323 -6.9323 -6.9317 -6.9317 -6.8327 -6.8327 -3.0368 -3.0368 -3.0223 -3.0223 -2.3985 -2.3985 -2.3740 -2.3740 -2.3536 -2.3536 -0.5494 -0.5494 0.6144 0.6144 1.4757 1.4757 1.7139 1.7139 1.8223 1.8223 1.8872 1.8872 2.6189 2.6189 3.2166 3.2166 3.3086 3.3086 4.4763 4.4763 4.8287 4.8287 4.9428 4.9428 7.2094 7.2094 7.8995 7.8995 8.5337 8.5337 10.2226 10.2226 k = 0.0667 0.0505 0.0000 ( 4575 PWs) bands (ev): -8.2077 -8.2077 -6.9325 -6.9325 -6.9319 -6.9319 -6.8406 -6.8406 -3.0391 -3.0391 -3.0218 -3.0218 -2.4024 -2.4024 -2.3725 -2.3725 -2.3541 -2.3541 -0.5397 -0.5397 0.5872 0.5872 1.5062 1.5062 1.7190 1.7190 1.8304 1.8304 1.8843 1.8843 2.6409 2.6409 3.2249 3.2249 3.3169 3.3170 4.4524 4.4524 4.8049 4.8049 4.9282 4.9282 7.2341 7.2341 7.9344 7.9344 8.5411 8.5411 10.1374 10.1374 k = 0.0833 0.0631 0.0000 ( 4579 PWs) bands (ev): -8.2009 -8.2009 -6.9328 -6.9328 -6.9322 -6.9322 -6.8508 -6.8508 -3.0417 -3.0417 -3.0215 -3.0215 -2.4065 -2.4065 -2.3713 -2.3713 -2.3547 -2.3547 -0.5274 -0.5274 0.5556 0.5556 1.5393 1.5393 1.7268 1.7268 1.8403 1.8403 1.8836 1.8836 2.6678 2.6678 3.2356 3.2356 3.3276 3.3276 4.4217 4.4217 4.7760 4.7760 4.9096 4.9096 7.2651 7.2651 7.9779 7.9779 8.5506 8.5506 10.0387 10.0387 k = 0.1000 0.0757 0.0000 ( 4567 PWs) bands (ev): -8.1927 -8.1927 -6.9331 -6.9331 -6.9325 -6.9325 -6.8631 -6.8631 -3.0445 -3.0445 -3.0215 -3.0215 -2.4108 -2.4108 -2.3705 -2.3705 -2.3553 -2.3553 -0.5127 -0.5127 0.5211 0.5211 1.5708 1.5708 1.7391 1.7391 1.8513 1.8513 1.8872 1.8872 2.6990 2.6990 3.2484 3.2484 3.3404 3.3404 4.3846 4.3846 4.7433 4.7433 4.8873 4.8873 7.3017 7.3017 8.0288 8.0288 8.5625 8.5625 9.9301 9.9301 k = 0.1167 0.0883 0.0000 ( 4575 PWs) bands (ev): -8.1830 -8.1830 -6.9335 -6.9335 -6.9329 -6.9329 -6.8774 -6.8774 -3.0475 -3.0475 -3.0217 -3.0217 -2.4152 -2.4152 -2.3702 -2.3702 -2.3560 -2.3560 -0.4959 -0.4959 0.4849 0.4849 1.5952 1.5952 1.7592 1.7592 1.8628 1.8628 1.8971 1.8971 2.7337 2.7337 3.2633 3.2633 3.3554 3.3554 4.3414 4.3414 4.7075 4.7075 4.8616 4.8616 7.3437 7.3437 8.0858 8.0858 8.5767 8.5767 9.8142 9.8142 k = 0.1333 0.1010 0.0000 ( 4575 PWs) bands (ev): -8.1718 -8.1718 -6.9340 -6.9340 -6.9334 -6.9334 -6.8938 -6.8938 -3.0507 -3.0507 -3.0222 -3.0222 -2.4197 -2.4197 -2.3704 -2.3704 -2.3566 -2.3566 -0.4773 -0.4773 0.4481 0.4481 1.6090 1.6090 1.7885 1.7885 1.8750 1.8750 1.9144 1.9144 2.7713 2.7713 3.2802 3.2802 3.3723 3.3723 4.2927 4.2927 4.6696 4.6696 4.8327 4.8327 7.3907 7.3907 8.1471 8.1471 8.5937 8.5937 9.6934 9.6934 k = 0.1500 0.1136 0.0000 ( 4555 PWs) bands (ev): -8.1592 -8.1592 -6.9345 -6.9345 -6.9339 -6.9339 -6.9121 -6.9121 -3.0539 -3.0539 -3.0228 -3.0228 -2.4241 -2.4241 -2.3710 -2.3710 -2.3574 -2.3574 -0.4571 -0.4571 0.4114 0.4114 1.6131 1.6131 1.8241 1.8241 1.8895 1.8895 1.9392 1.9392 2.8112 2.8112 3.2990 3.2990 3.3911 3.3911 4.2392 4.2392 4.6300 4.6300 4.8009 4.8009 7.4423 7.4423 8.2105 8.2105 8.6138 8.6138 9.5693 9.5693 k = 0.1667 0.1262 0.0000 ( 4555 PWs) bands (ev): -8.1453 -8.1453 -6.9352 -6.9352 -6.9347 -6.9347 -6.9317 -6.9317 -3.0571 -3.0571 -3.0238 -3.0238 -2.4285 -2.4285 -2.3721 -2.3721 -2.3582 -2.3582 -0.4358 -0.4358 0.3755 0.3755 1.6105 1.6105 1.8606 1.8606 1.9074 1.9074 1.9718 1.9718 2.8529 2.8529 3.3194 3.3194 3.4116 3.4116 4.1819 4.1819 4.5894 4.5894 4.7666 4.7666 7.4982 7.4982 8.2735 8.2735 8.6377 8.6377 9.4435 9.4435 k = 0.1833 0.1388 0.0000 ( 4560 PWs) bands (ev): -8.1299 -8.1299 -6.9542 -6.9542 -6.9355 -6.9355 -6.9348 -6.9348 -3.0604 -3.0604 -3.0249 -3.0249 -2.4328 -2.4328 -2.3734 -2.3734 -2.3591 -2.3591 -0.4136 -0.4136 0.3410 0.3410 1.6041 1.6041 1.8937 1.8937 1.9294 1.9294 2.0127 2.0127 2.8959 2.8959 3.3412 3.3412 3.4334 3.4334 4.1217 4.1217 4.5480 4.5480 4.7301 4.7301 7.5582 7.5582 8.3326 8.3326 8.6665 8.6665 9.3171 9.3171 k = 0.2000 0.1514 0.0000 ( 4560 PWs) bands (ev): -8.1133 -8.1133 -6.9777 -6.9777 -6.9361 -6.9361 -6.9355 -6.9355 -3.0636 -3.0636 -3.0262 -3.0262 -2.4369 -2.4369 -2.3749 -2.3749 -2.3602 -2.3602 -0.3911 -0.3911 0.3084 0.3084 1.5958 1.5958 1.9226 1.9226 1.9547 1.9547 2.0603 2.0603 2.9398 2.9398 3.3643 3.3643 3.4564 3.4564 4.0597 4.0597 4.5062 4.5062 4.6918 4.6918 7.6219 7.6219 8.3845 8.3845 8.7009 8.7009 9.1913 9.1913 k = 0.2167 0.1641 0.0000 ( 4564 PWs) bands (ev): -8.0953 -8.0953 -7.0027 -7.0027 -6.9367 -6.9367 -6.9361 -6.9361 -3.0667 -3.0667 -3.0277 -3.0277 -2.4408 -2.4408 -2.3766 -2.3766 -2.3615 -2.3615 -0.3687 -0.3687 0.2782 0.2782 1.5868 1.5868 1.9494 1.9494 1.9822 1.9822 2.1122 2.1122 2.9842 2.9842 3.3884 3.3884 3.4802 3.4802 3.9970 3.9970 4.4642 4.4642 4.6521 4.6521 7.6891 7.6891 8.4258 8.4258 8.7404 8.7404 9.0671 9.0671 k = 0.2333 0.1767 0.0000 ( 4556 PWs) bands (ev): -8.0761 -8.0761 -7.0290 -7.0290 -6.9373 -6.9373 -6.9367 -6.9367 -3.0698 -3.0698 -3.0293 -3.0293 -2.4446 -2.4446 -2.3784 -2.3784 -2.3629 -2.3629 -0.3470 -0.3470 0.2507 0.2507 1.5781 1.5781 1.9760 1.9760 2.0106 2.0106 2.1659 2.1659 3.0287 3.0287 3.4131 3.4131 3.5043 3.5043 3.9348 3.9348 4.4225 4.4225 4.6115 4.6115 7.7594 7.7594 8.4547 8.4547 8.7817 8.7817 8.9455 8.9455 k = 0.2500 0.1893 0.0000 ( 4556 PWs) bands (ev): -8.0557 -8.0557 -7.0566 -7.0566 -6.9379 -6.9379 -6.9373 -6.9373 -3.0727 -3.0727 -3.0310 -3.0310 -2.4481 -2.4481 -2.3803 -2.3803 -2.3645 -2.3645 -0.3266 -0.3266 0.2263 0.2263 1.5702 1.5702 2.0030 2.0030 2.0397 2.0397 2.2196 2.2196 3.0729 3.0729 3.4381 3.4381 3.5281 3.5281 3.8742 3.8742 4.3814 4.3814 4.5703 4.5703 7.8322 7.8322 8.4707 8.4707 8.8045 8.8045 8.8323 8.8323 k = 0.2667 0.2019 0.0000 ( 4544 PWs) bands (ev): -8.0342 -8.0342 -7.0854 -7.0854 -6.9385 -6.9385 -6.9380 -6.9380 -3.0756 -3.0756 -3.0328 -3.0328 -2.4515 -2.4515 -2.3821 -2.3821 -2.3663 -2.3663 -0.3079 -0.3079 0.2055 0.2055 1.5636 1.5636 2.0306 2.0307 2.0691 2.0691 2.2718 2.2718 3.1166 3.1166 3.4630 3.4630 3.5507 3.5507 3.8169 3.8169 4.3413 4.3413 4.5291 4.5291 7.9068 7.9068 8.4738 8.4738 8.7075 8.7075 8.7316 8.7316 k = 0.2833 0.2145 0.0000 ( 4548 PWs) bands (ev): -8.0116 -8.0116 -7.1151 -7.1151 -6.9391 -6.9391 -6.9386 -6.9386 -3.0782 -3.0782 -3.0347 -3.0347 -2.4545 -2.4545 -2.3839 -2.3839 -2.3682 -2.3682 -0.2915 -0.2915 0.1886 0.1886 1.5584 1.5584 2.0588 2.0588 2.0988 2.0988 2.3215 2.3215 3.1593 3.1593 3.4872 3.4872 3.5703 3.5703 3.7650 3.7650 4.3029 4.3029 4.4884 4.4884 7.9820 7.9820 8.4648 8.4648 8.5973 8.5973 8.6232 8.6232 k = 0.3000 0.2272 0.0000 ( 4540 PWs) bands (ev): -7.9880 -7.9880 -7.1456 -7.1456 -6.9397 -6.9397 -6.9392 -6.9392 -3.0807 -3.0807 -3.0366 -3.0366 -2.4574 -2.4574 -2.3857 -2.3857 -2.3702 -2.3702 -0.2778 -0.2778 0.1757 0.1757 1.5549 1.5549 2.0873 2.0873 2.1284 2.1284 2.3676 2.3676 3.2006 3.2006 3.5098 3.5098 3.5837 3.5837 3.7224 3.7224 4.2668 4.2668 4.4487 4.4487 8.0556 8.0556 8.4445 8.4445 8.4920 8.4920 8.5197 8.5197 k = 0.3167 0.2398 0.0000 ( 4536 PWs) bands (ev): -7.9635 -7.9635 -7.1767 -7.1767 -6.9403 -6.9403 -6.9398 -6.9398 -3.0830 -3.0830 -3.0385 -3.0385 -2.4599 -2.4599 -2.3873 -2.3873 -2.3723 -2.3723 -0.2672 -0.2672 0.1668 0.1668 1.5532 1.5532 2.1158 2.1158 2.1577 2.1577 2.4093 2.4093 3.2404 3.2404 3.5289 3.5289 3.5860 3.5860 3.6960 3.6960 4.2336 4.2336 4.4105 4.4105 8.1228 8.1228 8.3887 8.3887 8.4086 8.4086 8.4366 8.4366 k = 0.3333 0.2524 0.0000 ( 4536 PWs) bands (ev): -7.9383 -7.9383 -7.2083 -7.2083 -6.9408 -6.9408 -6.9403 -6.9403 -3.0851 -3.0851 -3.0403 -3.0403 -2.4623 -2.4623 -2.3888 -2.3888 -2.3744 -2.3744 -0.2596 -0.2596 0.1618 0.1618 1.5532 1.5532 2.1438 2.1438 2.1863 2.1863 2.4458 2.4458 3.2781 3.2781 3.5371 3.5371 3.5811 3.5811 3.6886 3.6886 4.2043 4.2043 4.3742 4.3742 8.1723 8.1723 8.2963 8.2963 8.3220 8.3220 8.4149 8.4149 k = 0.3500 0.2650 0.0000 ( 4536 PWs) bands (ev): -7.9124 -7.9124 -7.2401 -7.2401 -6.9414 -6.9414 -6.9408 -6.9408 -3.0870 -3.0870 -3.0421 -3.0421 -2.4644 -2.4644 -2.3902 -2.3902 -2.3765 -2.3765 -0.2549 -0.2549 0.1602 0.1602 1.5548 1.5548 2.1711 2.1711 2.2140 2.2140 2.4767 2.4767 3.3135 3.3135 3.5238 3.5238 3.5876 3.5876 3.6918 3.6918 4.1796 4.1796 4.3405 4.3405 8.1804 8.1804 8.2146 8.2146 8.2385 8.2385 8.4280 8.4280 k = 0.3667 0.2776 0.0000 ( 4548 PWs) bands (ev): -7.8861 -7.8861 -7.2719 -7.2719 -6.9418 -6.9418 -6.9413 -6.9413 -3.0886 -3.0886 -3.0438 -3.0438 -2.4662 -2.4662 -2.3914 -2.3914 -2.3786 -2.3786 -0.2526 -0.2526 0.1613 0.1613 1.5579 1.5579 2.1972 2.1972 2.2403 2.2403 2.5015 2.5015 3.3461 3.3461 3.5021 3.5021 3.6005 3.6005 3.6969 3.6969 4.1602 4.1602 4.3096 4.3096 8.1213 8.1213 8.1502 8.1502 8.1834 8.1834 8.4718 8.4718 k = 0.3833 0.2903 0.0000 ( 4528 PWs) bands (ev): -7.8596 -7.8596 -7.3034 -7.3034 -6.9423 -6.9423 -6.9418 -6.9417 -3.0901 -3.0901 -3.0454 -3.0454 -2.4678 -2.4678 -2.3924 -2.3924 -2.3807 -2.3807 -0.2523 -0.2523 0.1645 0.1645 1.5622 1.5622 2.2214 2.2214 2.2648 2.2648 2.5205 2.5205 3.3755 3.3755 3.4822 3.4822 3.6132 3.6132 3.7001 3.7001 4.1466 4.1466 4.2819 4.2819 8.0505 8.0505 8.0803 8.0803 8.1439 8.1439 8.5271 8.5271 k = 0.4000 0.3029 0.0000 ( 4528 PWs) bands (ev): -7.8333 -7.8333 -7.3342 -7.3342 -6.9427 -6.9427 -6.9421 -6.9421 -3.0914 -3.0914 -3.0468 -3.0468 -2.4692 -2.4692 -2.3932 -2.3932 -2.3826 -2.3826 -0.2533 -0.2533 0.1689 0.1689 1.5674 1.5674 2.2434 2.2434 2.2872 2.2872 2.5341 2.5341 3.4010 3.4010 3.4672 3.4672 3.6241 3.6241 3.7002 3.7002 4.1385 4.1385 4.2574 4.2574 7.9866 7.9866 8.0169 8.0169 8.1030 8.1030 8.5773 8.5773 k = 0.4167 0.3155 0.0000 ( 4536 PWs) bands (ev): -7.8076 -7.8076 -7.3637 -7.3637 -6.9430 -6.9430 -6.9425 -6.9425 -3.0925 -3.0925 -3.0481 -3.0481 -2.4703 -2.4703 -2.3938 -2.3938 -2.3844 -2.3844 -0.2551 -0.2551 0.1739 0.1739 1.5730 1.5730 2.2626 2.2626 2.3070 2.3070 2.5430 2.5430 3.4206 3.4206 3.4590 3.4590 3.6329 3.6329 3.6971 3.6971 4.1356 4.1356 4.2362 4.2362 7.9313 7.9313 7.9620 7.9620 8.0642 8.0642 8.6122 8.6122 k = 0.4333 0.3281 0.0000 ( 4548 PWs) bands (ev): -7.7833 -7.7833 -7.3912 -7.3912 -6.9433 -6.9433 -6.9428 -6.9428 -3.0933 -3.0933 -3.0491 -3.0491 -2.4712 -2.4712 -2.3941 -2.3941 -2.3861 -2.3861 -0.2571 -0.2571 0.1787 0.1787 1.5785 1.5785 2.2786 2.2786 2.3240 2.3240 2.5484 2.5484 3.4300 3.4300 3.4610 3.4610 3.6400 3.6400 3.6917 3.6917 4.1369 4.1369 4.2180 4.2180 7.8852 7.8852 7.9162 7.9162 8.0300 8.0300 8.6298 8.6298 k = 0.4500 0.3407 0.0000 ( 4548 PWs) bands (ev): -7.7614 -7.7614 -7.4156 -7.4156 -6.9435 -6.9435 -6.9430 -6.9430 -3.0940 -3.0940 -3.0499 -3.0499 -2.4719 -2.4719 -2.3943 -2.3943 -2.3875 -2.3875 -0.2592 -0.2592 0.1830 0.1830 1.5834 1.5834 2.2911 2.2911 2.3377 2.3377 2.5514 2.5514 3.4308 3.4308 3.4708 3.4708 3.6459 3.6459 3.6847 3.6847 4.1414 4.1414 4.2024 4.2024 7.8489 7.8489 7.8802 7.8802 8.0021 8.0021 8.6358 8.6358 k = 0.4667 0.3534 0.0000 ( 4544 PWs) bands (ev): -7.7435 -7.7435 -7.4353 -7.4353 -6.9437 -6.9437 -6.9431 -6.9431 -3.0945 -3.0945 -3.0506 -3.0506 -2.4724 -2.4724 -2.3943 -2.3943 -2.3887 -2.3887 -0.2608 -0.2608 0.1863 0.1863 1.5874 1.5874 2.2999 2.2999 2.3478 2.3478 2.5528 2.5528 3.4299 3.4299 3.4802 3.4802 3.6513 3.6513 3.6772 3.6772 4.1482 4.1482 4.1888 4.1888 7.8227 7.8227 7.8541 7.8541 7.9815 7.9815 8.6365 8.6365 k = 0.4833 0.3660 0.0000 ( 4552 PWs) bands (ev): -7.7315 -7.7315 -7.4484 -7.4484 -6.9438 -6.9438 -6.9432 -6.9432 -3.0947 -3.0947 -3.0509 -3.0509 -2.4727 -2.4727 -2.3943 -2.3943 -2.3895 -2.3895 -0.2619 -0.2619 0.1884 0.1884 1.5899 1.5899 2.3051 2.3051 2.3540 2.3540 2.5533 2.5533 3.4292 3.4292 3.4864 3.4864 3.6566 3.6566 3.6699 3.6699 4.1565 4.1565 4.1769 4.1769 7.8069 7.8069 7.8384 7.8384 7.9689 7.9689 8.6357 8.6357 k = 0.5000 0.3786 0.0000 ( 4560 PWs) bands (ev): -7.7272 -7.7272 -7.4531 -7.4531 -6.9438 -6.9438 -6.9433 -6.9433 -3.0948 -3.0948 -3.0511 -3.0511 -2.4728 -2.4728 -2.3942 -2.3942 -2.3897 -2.3897 -0.2622 -0.2622 0.1891 0.1891 1.5908 1.5908 2.3069 2.3069 2.3561 2.3561 2.5535 2.5535 3.4290 3.4290 3.4885 3.4885 3.6609 3.6609 3.6648 3.6648 4.1651 4.1651 4.1672 4.1672 7.8016 7.8016 7.8332 7.8332 7.9647 7.9647 8.6352 8.6352 k = 0.5000 0.3786 0.0000 ( 4560 PWs) bands (ev): -7.7272 -7.7272 -7.4531 -7.4531 -6.9438 -6.9438 -6.9433 -6.9433 -3.0948 -3.0948 -3.0511 -3.0511 -2.4728 -2.4728 -2.3942 -2.3942 -2.3897 -2.3897 -0.2622 -0.2622 0.1891 0.1891 1.5908 1.5908 2.3069 2.3069 2.3561 2.3561 2.5535 2.5535 3.4290 3.4290 3.4885 3.4885 3.6609 3.6609 3.6648 3.6648 4.1651 4.1651 4.1672 4.1672 7.8016 7.8016 7.8332 7.8332 7.9647 7.9647 8.6352 8.6352 k = 0.4911 0.3904 0.0148 ( 4556 PWs) bands (ev): -7.7267 -7.7267 -7.4529 -7.4528 -6.9446 -6.9445 -6.9434 -6.9433 -3.0957 -3.0938 -3.0534 -3.0489 -2.4756 -2.4699 -2.3965 -2.3942 -2.3912 -2.3863 -0.2620 -0.2583 0.1895 0.1900 1.5837 1.5890 2.2991 2.3154 2.3533 2.3594 2.5483 2.5585 3.4049 3.4373 3.4832 3.4912 3.6452 3.6581 3.6685 3.6923 4.1614 4.1636 4.1676 4.1721 7.8021 7.8053 7.8351 7.8356 7.9668 7.9699 8.6384 8.6425 k = 0.4822 0.4021 0.0295 ( 4556 PWs) bands (ev): -7.7252 -7.7251 -7.4523 -7.4522 -6.9474 -6.9472 -6.9431 -6.9430 -3.0965 -3.0928 -3.0560 -3.0470 -2.4783 -2.4670 -2.3998 -2.3969 -2.3895 -2.3829 -0.2578 -0.2502 0.1912 0.1922 1.5683 1.5786 2.2911 2.3229 2.3518 2.3645 2.5431 2.5631 3.3704 3.4268 3.4741 3.4926 3.6346 3.6558 3.6830 3.7254 4.1527 4.1575 4.1730 4.1811 7.8062 7.8130 7.8418 7.8436 7.9762 7.9823 8.6520 8.6599 k = 0.4732 0.4139 0.0443 ( 4558 PWs) bands (ev): -7.7226 -7.7226 -7.4513 -7.4511 -6.9521 -6.9519 -6.9425 -6.9424 -3.0971 -3.0916 -3.0588 -3.0454 -2.4810 -2.4640 -2.4039 -2.3992 -2.3875 -2.3799 -0.2496 -0.2381 0.1942 0.1958 1.5453 1.5601 2.2809 2.3260 2.3522 2.3749 2.5382 2.5670 3.3300 3.4003 3.4629 3.4923 3.6274 3.6530 3.7065 3.7610 4.1396 4.1470 4.1829 4.1945 7.8127 7.8229 7.8549 7.8584 7.9927 8.0017 8.6755 8.6870 k = 0.4643 0.4257 0.0591 ( 4550 PWs) bands (ev): -7.7191 -7.7190 -7.4499 -7.4496 -6.9585 -6.9583 -6.9417 -6.9415 -3.0976 -3.0904 -3.0618 -3.0439 -2.4835 -2.4610 -2.4084 -2.4012 -2.3855 -2.3773 -0.2378 -0.2224 0.1987 0.2008 1.5161 1.5347 2.2672 2.3222 2.3554 2.3911 2.5337 2.5702 3.2863 3.3635 3.4509 3.4904 3.6196 3.6487 3.7367 3.7973 4.1224 4.1322 4.1971 4.2120 7.8209 7.8338 7.8761 7.8812 8.0160 8.0278 8.7085 8.7233 k = 0.4554 0.4375 0.0739 ( 4544 PWs) bands (ev): -7.7146 -7.7145 -7.4481 -7.4478 -6.9667 -6.9664 -6.9407 -6.9404 -3.0980 -3.0892 -3.0649 -3.0426 -2.4861 -2.4579 -2.4129 -2.4031 -2.3835 -2.3749 -0.2228 -0.2032 0.2049 0.2075 1.4817 1.5036 2.2500 2.3123 2.3612 2.4107 2.5295 2.5727 3.2408 3.3212 3.4385 3.4875 3.6096 3.6422 3.7704 3.8332 4.1020 4.1138 4.2151 4.2330 7.8311 7.8457 7.9054 7.9116 8.0459 8.0603 8.7502 8.7678 k = 0.4465 0.4492 0.0886 ( 4536 PWs) bands (ev): -7.7091 -7.7090 -7.4461 -7.4456 -6.9765 -6.9762 -6.9395 -6.9391 -3.0982 -3.0879 -3.0682 -3.0415 -2.4885 -2.4549 -2.4173 -2.4049 -2.3816 -2.3730 -0.2052 -0.1813 0.2129 0.2162 1.4435 1.4680 2.2296 2.2977 2.3677 2.4314 2.5252 2.5747 3.1948 3.2766 3.4258 3.4839 3.5967 3.6330 3.8055 3.8675 4.0799 4.0927 4.2364 4.2571 7.8438 7.8595 7.9426 7.9495 8.0817 8.0986 8.7998 8.8197 k = 0.4376 0.4610 0.1034 ( 4542 PWs) bands (ev): -7.7027 -7.7026 -7.4438 -7.4433 -6.9877 -6.9874 -6.9380 -6.9376 -3.0982 -3.0867 -3.0715 -3.0404 -2.4909 -2.4520 -2.4214 -2.4065 -2.3796 -2.3714 -0.1856 -0.1573 0.2231 0.2273 1.4023 1.4292 2.2067 2.2793 2.3728 2.4516 2.5204 2.5767 3.1491 3.2313 3.4133 3.4804 3.5808 3.6209 3.8395 3.8972 4.0596 4.0707 4.2603 4.2836 7.8594 7.8759 7.9870 7.9944 8.1231 8.1422 8.8561 8.8779 k = 0.4287 0.4728 0.1182 ( 4538 PWs) bands (ev): -7.6954 -7.6953 -7.4414 -7.4408 -7.0003 -6.9998 -6.9363 -6.9359 -3.0981 -3.0857 -3.0748 -3.0395 -2.4932 -2.4493 -2.4251 -2.4080 -2.3778 -2.3700 -0.1649 -0.1319 0.2358 0.2414 1.3593 1.3881 2.1819 2.2580 2.3752 2.4700 2.5141 2.5792 3.1046 3.1869 3.4013 3.4774 3.5616 3.6059 3.8682 3.9152 4.0489 4.0516 4.2862 4.3120 7.8784 7.8952 8.0383 8.0459 8.1696 8.1907 8.9183 8.9414 k = 0.4197 0.4846 0.1329 ( 4552 PWs) bands (ev): -7.6873 -7.6872 -7.4389 -7.4383 -7.0139 -7.0134 -6.9344 -6.9339 -3.0978 -3.0849 -3.0778 -3.0386 -2.4955 -2.4472 -2.4279 -2.4093 -2.3759 -2.3690 -0.1440 -0.1063 0.2516 0.2588 1.3153 1.3458 2.1554 2.2343 2.3739 2.4850 2.5063 2.5823 3.0621 3.1445 3.3903 3.4754 3.5393 3.5879 3.8831 3.9131 4.0421 4.0588 4.3134 4.3415 7.9008 7.9178 8.0960 8.1036 8.2205 8.2434 8.9852 9.0089 k = 0.4108 0.4964 0.1477 ( 4550 PWs) bands (ev): -7.6783 -7.6782 -7.4366 -7.4359 -7.0284 -7.0279 -6.9323 -6.9318 -3.0974 -3.0852 -3.0799 -3.0378 -2.4977 -2.4461 -2.4294 -2.4103 -2.3741 -2.3682 -0.1239 -0.0817 0.2712 0.2803 1.2709 1.3030 2.1279 2.2086 2.3685 2.4888 2.5029 2.5860 3.0225 3.1049 3.3807 3.4746 3.5144 3.5672 3.8726 3.8966 4.0518 4.0859 4.3412 4.3718 7.9268 7.9437 8.1598 8.1671 8.2753 8.3000 9.0555 9.0794 k = 0.4019 0.5081 0.1625 ( 4538 PWs) bands (ev): -7.6687 -7.6685 -7.4345 -7.4338 -7.0435 -7.0430 -6.9300 -6.9295 -3.0969 -3.0871 -3.0801 -3.0369 -2.4997 -2.4461 -2.4294 -2.4110 -2.3724 -2.3676 -0.1056 -0.0592 0.2952 0.3063 1.2269 1.2603 2.0995 2.1813 2.3588 2.4755 2.5087 2.5894 2.9865 3.0692 3.3727 3.4728 3.4899 3.5443 3.8419 3.8718 4.0784 4.1219 4.3692 4.4021 7.9564 7.9731 8.2288 8.2357 8.3336 8.3599 9.1279 9.1514 k = 0.3930 0.5199 0.1773 ( 4534 PWs) bands (ev): -7.6584 -7.6582 -7.4328 -7.4320 -7.0589 -7.0583 -6.9276 -6.9270 -3.0964 -3.0898 -3.0794 -3.0360 -2.5017 -2.4472 -2.4283 -2.4112 -2.3707 -2.3672 -0.0900 -0.0400 0.3242 0.3370 1.1840 1.2186 2.0707 2.1529 2.3454 2.4568 2.5118 2.5913 2.9549 3.0376 3.3662 3.4528 3.4842 3.5199 3.8029 3.8401 4.1138 4.1616 4.3968 4.4322 7.9896 8.0060 8.3021 8.3085 8.3950 8.4231 9.2003 9.2236 k = 0.3841 0.5317 0.1920 ( 4542 PWs) bands (ev): -7.6475 -7.6474 -7.4317 -7.4309 -7.0742 -7.0735 -6.9249 -6.9243 -3.0963 -3.0921 -3.0784 -3.0351 -2.5034 -2.4486 -2.4267 -2.4108 -2.3693 -2.3667 -0.0777 -0.0248 0.3581 0.3723 1.1427 1.1783 2.0418 2.1234 2.3285 2.4344 2.5104 2.5904 2.9281 3.0103 3.3601 3.4240 3.4889 3.4951 3.7605 3.8049 4.1526 4.2027 4.4236 4.4617 8.0264 8.0425 8.3784 8.3843 8.4596 8.4896 9.2700 9.2940 k = 0.3752 0.5435 0.2068 ( 4540 PWs) bands (ev): -7.6364 -7.6363 -7.4314 -7.4306 -7.0889 -7.0883 -6.9222 -6.9215 -3.0976 -3.0929 -3.0773 -3.0341 -2.5049 -2.4500 -2.4251 -2.4097 -2.3684 -2.3660 -0.0689 -0.0141 0.3965 0.4120 1.1038 1.1401 2.0128 2.0931 2.3089 2.4090 2.5047 2.5860 2.9059 2.9866 3.3506 3.3986 3.4694 3.4982 3.7165 3.7686 4.1921 4.2437 4.4494 4.4902 8.0668 8.0824 8.4557 8.4612 8.5279 8.5597 9.3330 9.3599 k = 0.3662 0.5552 0.2216 ( 4548 PWs) bands (ev): -7.6252 -7.6251 -7.4320 -7.4312 -7.1027 -7.1021 -6.9192 -6.9185 -3.0999 -3.0924 -3.0761 -3.0331 -2.5062 -2.4512 -2.4238 -2.4078 -2.3681 -2.3648 -0.0638 -0.0079 0.4386 0.4551 1.0680 1.1048 1.9841 2.0622 2.2872 2.3813 2.4956 2.5779 2.8876 2.9655 3.3302 3.3838 3.4469 3.5090 3.6726 3.7326 4.2309 4.2836 4.4739 4.5175 8.1105 8.1256 8.5318 8.5367 8.6011 8.6340 9.3847 9.4178 k = 0.3573 0.5670 0.2363 ( 4548 PWs) bands (ev): -7.6142 -7.6142 -7.4336 -7.4328 -7.1151 -7.1145 -6.9162 -6.9154 -3.1022 -3.0916 -3.0747 -3.0320 -2.5071 -2.4521 -2.4229 -2.4053 -2.3682 -2.3634 -0.0622 -0.0061 0.4830 0.5006 1.0363 1.0732 1.9556 2.0307 2.2642 2.3522 2.4838 2.5665 2.8717 2.9455 3.3007 3.3752 3.4309 3.5208 3.6310 3.6986 4.2677 4.3213 4.4971 4.5436 8.1576 8.1721 8.6048 8.6085 8.6802 8.7127 9.4216 9.4643 k = 0.3484 0.5788 0.2511 ( 4552 PWs) bands (ev): -7.6042 -7.6041 -7.4359 -7.4352 -7.1256 -7.1251 -6.9130 -6.9122 -3.1044 -3.0906 -3.0732 -3.0310 -2.5077 -2.4527 -2.4221 -2.4023 -2.3685 -2.3620 -0.0641 -0.0084 0.5279 0.5468 1.0101 1.0464 1.9273 1.9985 2.2405 2.3226 2.4706 2.5527 2.8560 2.9249 3.2681 3.3619 3.4270 3.5288 3.5979 3.6678 4.3014 4.3557 4.5192 4.5682 8.2078 8.2218 8.6739 8.6759 8.7636 8.7949 9.4447 9.4970 k = 0.3395 0.5906 0.2659 ( 4536 PWs) bands (ev): -7.5958 -7.5957 -7.4384 -7.4378 -7.1340 -7.1335 -6.9097 -6.9089 -3.1062 -3.0896 -3.0714 -3.0299 -2.5079 -2.4530 -2.4213 -2.3990 -2.3690 -2.3606 -0.0692 -0.0144 0.5707 0.5914 0.9912 1.0261 1.8992 1.9658 2.2167 2.2935 2.4572 2.5376 2.8387 2.9026 3.2351 3.3421 3.4340 3.5184 3.5893 3.6415 4.3311 4.3857 4.5404 4.5914 8.2609 8.2743 8.7390 8.7396 8.8487 8.8787 9.4576 9.5163 k = 0.3306 0.6023 0.2807 ( 4536 PWs) bands (ev): -7.5902 -7.5900 -7.4402 -7.4397 -7.1401 -7.1397 -6.9063 -6.9054 -3.1078 -3.0885 -3.0695 -3.0288 -2.5078 -2.4531 -2.4205 -2.3955 -2.3695 -2.3593 -0.0772 -0.0238 0.6083 0.6313 0.9826 1.0147 1.8712 1.9325 2.1934 2.2660 2.4445 2.5223 2.8179 2.8775 3.2024 3.3181 3.4478 3.4932 3.6037 3.6210 4.3561 4.4100 4.5610 4.6130 8.3168 8.3297 8.7998 8.8004 8.9328 8.9617 9.4642 9.5246 k = 0.3217 0.6141 0.2954 ( 4536 PWs) bands (ev): -7.5888 -7.5884 -7.4399 -7.4395 -7.1437 -7.1434 -6.9028 -6.9019 -3.1090 -3.0875 -3.0674 -3.0277 -2.5072 -2.4528 -2.4195 -2.3920 -2.3702 -2.3580 -0.0879 -0.0364 0.6372 0.6628 0.9873 1.0148 1.8430 1.8988 2.1709 2.2409 2.4337 2.5078 2.7926 2.8492 3.1700 3.2904 3.4645 3.4708 3.6066 3.6272 4.3756 4.4278 4.5813 4.6332 8.3752 8.3876 8.8566 8.8577 9.0135 9.0412 9.4677 9.5254 k = 0.3217 0.6141 0.2954 ( 4536 PWs) bands (ev): -7.5888 -7.5884 -7.4399 -7.4395 -7.1437 -7.1434 -6.9028 -6.9019 -3.1090 -3.0875 -3.0674 -3.0277 -2.5072 -2.4528 -2.4195 -2.3920 -2.3702 -2.3580 -0.0879 -0.0364 0.6372 0.6628 0.9873 1.0148 1.8430 1.8988 2.1709 2.2409 2.4337 2.5078 2.7926 2.8492 3.1700 3.2904 3.4645 3.4708 3.6066 3.6272 4.3756 4.4278 4.5813 4.6332 8.3752 8.3876 8.8566 8.8577 9.0135 9.0412 9.4677 9.5254 k = 0.3027 0.6085 0.3024 ( 4537 PWs) bands (ev): -7.5918 -7.5914 -7.4373 -7.4370 -7.1438 -7.1435 -6.9013 -6.9004 -3.1093 -3.0871 -3.0661 -3.0272 -2.5067 -2.4527 -2.4189 -2.3902 -2.3704 -2.3574 -0.0949 -0.0447 0.6479 0.6748 0.9956 1.0205 1.8266 1.8794 2.1607 2.2296 2.4310 2.5024 2.7796 2.8343 3.1549 3.2757 3.4600 3.4779 3.6054 3.6384 4.3784 4.4269 4.5960 4.6445 8.4070 8.4191 8.8753 8.8858 9.0522 9.0797 9.4667 9.5221 k = 0.2838 0.6030 0.3094 ( 4543 PWs) bands (ev): -7.5988 -7.5984 -7.4323 -7.4320 -7.1416 -7.1414 -6.9001 -6.8992 -3.1095 -3.0868 -3.0645 -3.0266 -2.5059 -2.4526 -2.4180 -2.3883 -2.3707 -2.3568 -0.1047 -0.0564 0.6586 0.6865 1.0084 1.0305 1.8044 1.8540 2.1507 2.2176 2.4315 2.4993 2.7663 2.8182 3.1422 3.2620 3.4573 3.4869 3.6106 3.6480 4.3725 4.4145 4.6169 4.6589 8.4458 8.4577 8.8911 8.9098 9.0926 9.1200 9.4626 9.5159 k = 0.2649 0.5974 0.3164 ( 4540 PWs) bands (ev): -7.6082 -7.6079 -7.4265 -7.4262 -7.1370 -7.1368 -6.8993 -6.8984 -3.1094 -3.0868 -3.0624 -3.0259 -2.5048 -2.4528 -2.4167 -2.3863 -2.3708 -2.3561 -0.1168 -0.0710 0.6702 0.6986 1.0244 1.0437 1.7774 1.8243 2.1397 2.2037 2.4340 2.4989 2.7524 2.8026 3.1342 3.2519 3.4563 3.4950 3.6208 3.6565 4.3597 4.3955 4.6387 4.6739 8.4914 8.5030 8.9065 8.9310 9.1325 9.1601 9.4580 9.5094 k = 0.2460 0.5918 0.3234 ( 4544 PWs) bands (ev): -7.6189 -7.6186 -7.4211 -7.4208 -7.1301 -7.1299 -6.8989 -6.8980 -3.1092 -3.0870 -3.0600 -3.0253 -2.5035 -2.4531 -2.4150 -2.3843 -2.3708 -2.3555 -0.1310 -0.0882 0.6835 0.7115 1.0425 1.0593 1.7466 1.7919 2.1262 2.1864 2.4374 2.5010 2.7383 2.7900 3.1316 3.2466 3.4545 3.5026 3.6349 3.6646 4.3417 4.3726 4.6580 4.6874 8.5431 8.5547 8.9223 8.9509 9.1703 9.1985 9.4555 9.5055 k = 0.2271 0.5863 0.3303 ( 4533 PWs) bands (ev): -7.6300 -7.6297 -7.4167 -7.4164 -7.1210 -7.1209 -6.8990 -6.8981 -3.1087 -3.0874 -3.0574 -3.0246 -2.5020 -2.4537 -2.4130 -2.3824 -2.3706 -2.3548 -0.1468 -0.1072 0.6988 0.7258 1.0615 1.0761 1.7134 1.7585 2.1089 2.1645 2.4413 2.5052 2.7253 2.7826 3.1342 3.2460 3.4506 3.5097 3.6521 3.6737 4.3197 4.3474 4.6733 4.6980 8.6005 8.6122 8.9390 8.9704 9.2049 9.2337 9.4581 9.5068 k = 0.2081 0.5807 0.3373 ( 4536 PWs) bands (ev): -7.6411 -7.6407 -7.4135 -7.4133 -7.1102 -7.1101 -6.8996 -6.8988 -3.1082 -3.0879 -3.0546 -3.0240 -2.5002 -2.4544 -2.4108 -2.3807 -2.3702 -2.3542 -0.1636 -0.1275 0.7162 0.7416 1.0806 1.0936 1.6793 1.7257 2.0866 2.1374 2.4457 2.5101 2.7158 2.7806 3.1411 3.2492 3.4450 3.5154 3.6715 3.6850 4.2946 4.3205 4.6838 4.7051 8.6629 8.6747 8.9570 8.9898 9.2349 9.2641 9.4684 9.5153 k = 0.1892 0.5751 0.3443 ( 4530 PWs) bands (ev): -7.6517 -7.6514 -7.4115 -7.4114 -7.0980 -7.0978 -6.9008 -6.9000 -3.1075 -3.0885 -3.0517 -3.0234 -2.4983 -2.4555 -2.4083 -2.3792 -2.3695 -2.3537 -0.1809 -0.1484 0.7354 0.7588 1.0986 1.1112 1.6456 1.6947 2.0589 2.1056 2.4509 2.5144 2.7122 2.7835 3.1510 3.2547 3.4388 3.5192 3.6920 3.7002 4.2670 4.2923 4.6892 4.7083 8.7293 8.7412 8.9764 9.0096 9.2596 9.2886 9.4877 9.5319 k = 0.1703 0.5696 0.3513 ( 4538 PWs) bands (ev): -7.6617 -7.6614 -7.4106 -7.4104 -7.0847 -7.0845 -6.9027 -6.9018 -3.1067 -3.0892 -3.0488 -3.0230 -2.4962 -2.4567 -2.4056 -2.3782 -2.3684 -2.3532 -0.1982 -0.1692 0.7561 0.7771 1.1150 1.1284 1.6137 1.6664 2.0261 2.0701 2.4567 2.5169 2.7156 2.7905 3.1626 3.2603 3.4340 3.5214 3.7122 3.7203 4.2376 4.2629 4.6898 4.7076 8.7983 8.8102 8.9979 9.0299 9.2795 9.3078 9.5157 9.5564 k = 0.1514 0.5640 0.3583 ( 4534 PWs) bands (ev): -7.6708 -7.6706 -7.4104 -7.4103 -7.0709 -7.0706 -6.9051 -6.9042 -3.1058 -3.0899 -3.0458 -3.0226 -2.4940 -2.4581 -2.4028 -2.3776 -2.3670 -2.3528 -0.2149 -0.1895 0.7778 0.7963 1.1292 1.1446 1.5848 1.6415 1.9892 2.0321 2.4629 2.5175 2.7256 2.8007 3.1742 3.2635 3.4330 3.5229 3.7328 3.7436 4.2070 4.2325 4.6861 4.7031 8.8679 8.8793 9.0226 9.0510 9.2958 9.3234 9.5500 9.5871 k = 0.1325 0.5584 0.3653 ( 4542 PWs) bands (ev): -7.6791 -7.6789 -7.4108 -7.4107 -7.0568 -7.0565 -6.9082 -6.9074 -3.1049 -3.0907 -3.0429 -3.0224 -2.4917 -2.4597 -2.3999 -2.3774 -2.3654 -2.3525 -0.2305 -0.2086 0.7998 0.8157 1.1412 1.1590 1.5599 1.6206 1.9498 1.9928 2.4691 2.5165 2.7410 2.8133 3.1841 3.2622 3.4379 3.5251 3.7549 3.7679 4.1756 4.2015 4.6789 4.6955 8.9332 8.9449 9.0534 9.0740 9.3103 9.3372 9.5878 9.6218 k = 0.1135 0.5529 0.3722 ( 4549 PWs) bands (ev): -7.6864 -7.6863 -7.4116 -7.4115 -7.0429 -7.0425 -6.9120 -6.9112 -3.1038 -3.0916 -3.0401 -3.0224 -2.4893 -2.4615 -2.3971 -2.3775 -2.3637 -2.3524 -0.2448 -0.2262 0.8215 0.8349 1.1510 1.1709 1.5402 1.6037 1.9100 1.9535 2.4748 2.5144 2.7603 2.8274 3.1907 3.2554 3.4493 3.5292 3.7778 3.7922 4.1443 4.1702 4.6694 4.6853 8.9847 9.0033 9.0933 9.1038 9.3247 9.3507 9.6268 9.6585 k = 0.0946 0.5473 0.3792 ( 4550 PWs) bands (ev): -7.6927 -7.6925 -7.4125 -7.4124 -7.0294 -7.0290 -6.9164 -6.9157 -3.1028 -3.0925 -3.0374 -3.0226 -2.4868 -2.4634 -2.3944 -2.3778 -2.3619 -2.3524 -0.2572 -0.2419 0.8421 0.8531 1.1588 1.1796 1.5265 1.5907 1.8718 1.9152 2.4799 2.5118 2.7819 2.8420 3.1933 3.2444 3.4661 3.5355 3.8007 3.8156 4.1137 4.1391 4.6586 4.6735 9.0191 9.0461 9.1360 9.1513 9.3403 9.3651 9.6653 9.6953 k = 0.0757 0.5417 0.3862 ( 4546 PWs) bands (ev): -7.6979 -7.6977 -7.4134 -7.4134 -7.0168 -7.0163 -6.9214 -6.9207 -3.1017 -3.0934 -3.0349 -3.0229 -2.4843 -2.4654 -2.3917 -2.3784 -2.3602 -2.3525 -0.2675 -0.2554 0.8608 0.8695 1.1648 1.1850 1.5193 1.5807 1.8375 1.8791 2.4842 2.5089 2.8042 2.8557 3.1921 3.2309 3.4862 3.5434 3.8228 3.8375 4.0849 4.1090 4.6479 4.6611 9.0425 9.0705 9.1826 9.2031 9.3580 9.3812 9.7025 9.7309 k = 0.0568 0.5362 0.3932 ( 4555 PWs) bands (ev): -7.7019 -7.7018 -7.4143 -7.4142 -7.0053 -7.0048 -6.9267 -6.9260 -3.1007 -3.0944 -3.0325 -3.0236 -2.4818 -2.4675 -2.3893 -2.3793 -2.3586 -2.3528 -0.2754 -0.2664 0.8768 0.8833 1.1696 1.1872 1.5185 1.5723 1.8094 1.8465 2.4880 2.5059 2.8260 2.8672 3.1887 3.2168 3.5072 3.5513 3.8431 3.8568 4.0595 4.0810 4.6384 4.6492 9.0598 9.0836 9.2253 9.2457 9.3782 9.3992 9.7379 9.7636 k = 0.0378 0.5306 0.4002 ( 4550 PWs) bands (ev): -7.7048 -7.7048 -7.4149 -7.4149 -6.9956 -6.9952 -6.9318 -6.9313 -3.0996 -3.0954 -3.0304 -3.0244 -2.4793 -2.4697 -2.3870 -2.3804 -2.3572 -2.3533 -0.2808 -0.2749 0.8892 0.8936 1.1737 1.1867 1.5232 1.5640 1.7903 1.8187 2.4913 2.5029 2.8456 2.8746 3.1851 3.2038 3.5268 3.5569 3.8607 3.8721 4.0396 4.0565 4.6314 4.6391 9.0730 9.0899 9.2574 9.2735 9.3999 9.4165 9.7704 9.7910 k = 0.0189 0.5250 0.4072 ( 4551 PWs) bands (ev): -7.7066 -7.7065 -7.4153 -7.4153 -6.9886 -6.9884 -6.9358 -6.9355 -3.0985 -3.0964 -3.0285 -3.0255 -2.4768 -2.4720 -2.3850 -2.3817 -2.3559 -2.3540 -0.2836 -0.2806 0.8974 0.8996 1.1775 1.1844 1.5321 1.5542 1.7818 1.7974 2.4943 2.5000 2.8614 2.8765 3.1838 3.1933 3.5428 3.5581 3.8743 3.8812 4.0280 4.0377 4.6277 4.6317 9.0826 9.0914 9.2778 9.2865 9.4187 9.4279 9.7965 9.8083 k = 0.0000 0.5195 0.4141 ( 4556 PWs) bands (ev): -7.7071 -7.7071 -7.4155 -7.4155 -6.9859 -6.9859 -6.9373 -6.9373 -3.0974 -3.0974 -3.0269 -3.0269 -2.4744 -2.4744 -2.3832 -2.3832 -2.3549 -2.3549 -0.2835 -0.2835 0.9010 0.9010 1.1812 1.1812 1.5432 1.5432 1.7845 1.7845 2.4971 2.4971 2.8721 2.8721 3.1864 3.1864 3.5535 3.5535 3.8819 3.8819 4.0274 4.0274 4.6277 4.6277 9.0888 9.0888 9.2874 9.2874 9.4289 9.4289 9.8106 9.8106 k = 0.0000 0.5195 0.4141 ( 4556 PWs) bands (ev): -7.7071 -7.7071 -7.4155 -7.4155 -6.9859 -6.9859 -6.9373 -6.9373 -3.0974 -3.0974 -3.0269 -3.0269 -2.4744 -2.4744 -2.3832 -2.3832 -2.3549 -2.3549 -0.2835 -0.2835 0.9010 0.9010 1.1812 1.1812 1.5432 1.5432 1.7845 1.7845 2.4971 2.4971 2.8721 2.8721 3.1864 3.1864 3.5535 3.5535 3.8819 3.8819 4.0274 4.0274 4.6277 4.6277 9.0888 9.0888 9.2874 9.2874 9.4289 9.4289 9.8106 9.8106 k = 0.0089 0.5077 0.4289 ( 4552 PWs) bands (ev): -7.7067 -7.7066 -7.4152 -7.4151 -6.9865 -6.9864 -6.9376 -6.9376 -3.0980 -3.0967 -3.0279 -3.0259 -2.4761 -2.4725 -2.3838 -2.3826 -2.3552 -2.3544 -0.2856 -0.2836 0.8925 0.8974 1.1685 1.1815 1.5456 1.5555 1.7841 1.7925 2.4935 2.4962 2.8711 2.8759 3.1824 3.1974 3.5515 3.5596 3.8780 3.8878 4.0275 4.0297 4.6257 4.6290 9.0871 9.0896 9.2795 9.2868 9.4159 9.4267 9.8045 9.8223 k = 0.0179 0.4959 0.4437 ( 4552 PWs) bands (ev): -7.7052 -7.7052 -7.4142 -7.4142 -6.9881 -6.9880 -6.9384 -6.9383 -3.0984 -3.0957 -3.0288 -3.0248 -2.4775 -2.4703 -2.3843 -2.3821 -2.3554 -2.3539 -0.2898 -0.2859 0.8728 0.8820 1.1463 1.1693 1.5619 1.5795 1.7912 1.8080 2.4855 2.4910 2.8735 2.8822 3.1856 3.2143 3.5537 3.5695 3.8764 3.8958 4.0303 4.0344 4.6229 4.6296 9.0842 9.0893 9.2635 9.2773 9.3907 9.4095 9.8052 9.8373 k = 0.0268 0.4841 0.4585 ( 4552 PWs) bands (ev): -7.7029 -7.7028 -7.4126 -7.4126 -6.9908 -6.9905 -6.9397 -6.9397 -3.0985 -3.0946 -3.0297 -3.0238 -2.4785 -2.4678 -2.3848 -2.3816 -2.3555 -2.3532 -0.2961 -0.2903 0.8435 0.8556 1.1180 1.1470 1.5879 1.6102 1.8058 1.8308 2.4738 2.4827 2.8800 2.8916 3.1956 3.2356 3.5596 3.5830 3.8768 3.9054 4.0361 4.0417 4.6194 4.6293 9.0799 9.0874 9.2403 9.2583 9.3583 9.3810 9.8115 9.8531 k = 0.0357 0.4723 0.4733 ( 4544 PWs) bands (ev): -7.6995 -7.6995 -7.4104 -7.4104 -6.9944 -6.9941 -6.9416 -6.9415 -3.0984 -3.0933 -3.0305 -3.0227 -2.4793 -2.4652 -2.3851 -2.3811 -2.3554 -2.3526 -0.3040 -0.2965 0.8065 0.8204 1.0855 1.1174 1.6183 1.6435 1.8280 1.8607 2.4598 2.4727 2.8913 2.9045 3.2110 3.2599 3.5687 3.5996 3.8791 3.9161 4.0454 4.0517 4.6150 4.6284 9.0731 9.0827 9.2109 9.2292 9.3239 9.3466 9.8214 9.8681 k = 0.0446 0.4605 0.4881 ( 4544 PWs) bands (ev): -7.6953 -7.6952 -7.4076 -7.4075 -6.9991 -6.9987 -6.9441 -6.9439 -3.0981 -3.0918 -3.0313 -3.0217 -2.4797 -2.4624 -2.3854 -2.3807 -2.3551 -2.3519 -0.3135 -0.3043 0.7638 0.7784 1.0499 1.0825 1.6486 1.6756 1.8572 1.8970 2.4454 2.4634 2.9075 2.9216 3.2304 3.2859 3.5801 3.6186 3.8833 3.9273 4.0586 4.0646 4.6098 4.6266 9.0621 9.0729 9.1779 9.1907 9.2915 9.3116 9.8326 9.8813 k = 0.0536 0.4487 0.5029 ( 4550 PWs) bands (ev): -7.6901 -7.6900 -7.4042 -7.4041 -7.0047 -7.0042 -6.9470 -6.9468 -3.0976 -3.0902 -3.0320 -3.0207 -2.4797 -2.4595 -2.3857 -2.3804 -2.3548 -2.3512 -0.3240 -0.3134 0.7171 0.7318 1.0116 1.0438 1.6754 1.7039 1.8927 1.9385 2.4331 2.4570 2.9286 2.9430 3.2523 3.3128 3.5931 3.6395 3.8890 3.9383 4.0761 4.0808 4.6038 4.6240 9.0437 9.0549 9.1454 9.1472 9.2618 9.2801 9.8433 9.8918 k = 0.0625 0.4369 0.5177 ( 4540 PWs) bands (ev): -7.6840 -7.6839 -7.4002 -7.4001 -7.0112 -7.0107 -6.9506 -6.9503 -3.0968 -3.0885 -3.0326 -3.0198 -2.4794 -2.4564 -2.3858 -2.3802 -2.3542 -2.3505 -0.3352 -0.3233 0.6678 0.6821 0.9707 1.0020 1.6962 1.7263 1.9333 1.9838 2.4256 2.4562 2.9543 2.9688 3.2753 3.3399 3.6068 3.6618 3.8960 3.9488 4.0971 4.1010 4.5969 4.6206 9.0131 9.0263 9.1038 9.1187 9.2344 9.2544 9.8523 9.8987 k = 0.0714 0.4251 0.5325 ( 4540 PWs) bands (ev): -7.6771 -7.6770 -7.3958 -7.3957 -7.0185 -7.0180 -6.9546 -6.9544 -3.0958 -3.0867 -3.0331 -3.0189 -2.4788 -2.4532 -2.3858 -2.3800 -2.3536 -2.3499 -0.3468 -0.3337 0.6171 0.6309 0.9276 0.9577 1.7093 1.7411 1.9780 2.0318 2.4253 2.4627 2.9841 2.9990 3.2982 3.3668 3.6207 3.6849 3.9043 3.9587 4.1199 4.1264 4.5891 4.6163 8.9702 8.9861 9.0677 9.0948 9.2100 9.2340 9.8588 9.9014 k = 0.0804 0.4133 0.5473 ( 4544 PWs) bands (ev): -7.6693 -7.6691 -7.3908 -7.3907 -7.0266 -7.0261 -6.9592 -6.9589 -3.0946 -3.0848 -3.0336 -3.0181 -2.4778 -2.4500 -2.3857 -2.3800 -2.3530 -2.3492 -0.3583 -0.3442 0.5658 0.5789 0.8827 0.9115 1.7138 1.7469 2.0260 2.0818 2.4338 2.4775 3.0179 3.0333 3.3201 3.3929 3.6346 3.7085 3.9137 3.9682 4.1446 4.1554 4.5804 4.6111 8.9203 8.9367 9.0380 9.0706 9.1894 9.2170 9.8628 9.9001 k = 0.0893 0.4015 0.5620 ( 4540 PWs) bands (ev): -7.6607 -7.6605 -7.3854 -7.3853 -7.0355 -7.0349 -6.9644 -6.9640 -3.0932 -3.0828 -3.0341 -3.0175 -2.4765 -2.4467 -2.3856 -2.3800 -2.3523 -2.3487 -0.3694 -0.3544 0.5146 0.5269 0.8364 0.8640 1.7096 1.7434 2.0767 2.1336 2.4514 2.5003 3.0552 3.0716 3.3402 3.4179 3.6484 3.7322 3.9241 3.9777 4.1713 4.1867 4.5707 4.6050 8.8671 8.8833 9.0111 9.0448 9.1720 9.2018 9.8645 9.8962 k = 0.0982 0.3898 0.5768 ( 4532 PWs) bands (ev): -7.6513 -7.6511 -7.3797 -7.3795 -7.0450 -7.0443 -6.9700 -6.9696 -3.0916 -3.0807 -3.0345 -3.0170 -2.4748 -2.4433 -2.3855 -2.3800 -2.3516 -2.3482 -0.3796 -0.3639 0.4639 0.4753 0.7892 0.8157 1.6974 1.7312 2.1298 2.1871 2.4770 2.5299 3.0956 3.1137 3.3581 3.4410 3.6623 3.7558 3.9355 3.9873 4.1993 4.2191 4.5602 4.5980 8.8125 8.8291 8.9859 9.0180 9.1563 9.1868 9.8645 9.8910 k = 0.1071 0.3780 0.5916 ( 4532 PWs) bands (ev): -7.6411 -7.6409 -7.3736 -7.3734 -7.0550 -7.0544 -6.9761 -6.9757 -3.0898 -3.0785 -3.0348 -3.0166 -2.4728 -2.4400 -2.3853 -2.3799 -2.3511 -2.3478 -0.3887 -0.3725 0.4139 0.4245 0.7416 0.7670 1.6788 1.7119 2.1850 2.2424 2.5087 2.5647 3.1387 3.1590 3.3736 3.4617 3.6766 3.7792 3.9477 3.9974 4.2278 4.2514 4.5488 4.5902 8.7575 8.7752 8.9622 8.9912 9.1412 9.1709 9.8626 9.8847 k = 0.1161 0.3662 0.6064 ( 4532 PWs) bands (ev): -7.6302 -7.6300 -7.3673 -7.3672 -7.0655 -7.0648 -6.9828 -6.9823 -3.0879 -3.0763 -3.0352 -3.0164 -2.4706 -2.4367 -2.3852 -2.3799 -2.3507 -2.3474 -0.3964 -0.3797 0.3651 0.3748 0.6941 0.7186 1.6553 1.6871 2.2419 2.2993 2.5447 2.6029 3.1837 3.2070 3.3867 3.4795 3.6915 3.8023 3.9608 4.0080 4.2558 4.2826 4.5368 4.5817 8.7030 8.7224 8.9402 8.9653 9.1259 9.1536 9.8569 9.8758 k = 0.1250 0.3544 0.6212 ( 4532 PWs) bands (ev): -7.6187 -7.6184 -7.3610 -7.3608 -7.0764 -7.0757 -6.9898 -6.9893 -3.0858 -3.0740 -3.0355 -3.0164 -2.4681 -2.4333 -2.3852 -2.3797 -2.3504 -2.3471 -0.4024 -0.3853 0.3174 0.3263 0.6473 0.6708 1.6284 1.6587 2.3000 2.3573 2.5832 2.6431 3.2293 3.2564 3.3985 3.4945 3.7074 3.8252 3.9745 4.0194 4.2824 4.3117 4.5246 4.5725 8.6495 8.6707 8.9201 8.9408 9.1102 9.1346 9.8450 9.8631 k = 0.1339 0.3426 0.6360 ( 4534 PWs) bands (ev): -7.6065 -7.6062 -7.3546 -7.3545 -7.0874 -7.0866 -6.9973 -6.9967 -3.0836 -3.0717 -3.0358 -3.0165 -2.4653 -2.4300 -2.3853 -2.3794 -2.3504 -2.3469 -0.4065 -0.3892 0.2709 0.2790 0.6016 0.6241 1.5997 1.6281 2.3586 2.4159 2.6230 2.6841 3.2729 3.3053 3.4110 3.5073 3.7244 3.8477 3.9887 4.0316 4.3067 4.3376 4.5125 4.5630 8.5975 8.6205 8.9014 8.9181 9.0944 9.1145 9.8273 9.8460 k = 0.1429 0.3308 0.6508 ( 4534 PWs) bands (ev): -7.5938 -7.5935 -7.3485 -7.3483 -7.0983 -7.0976 -7.0051 -7.0045 -3.0813 -3.0693 -3.0361 -3.0169 -2.4624 -2.4268 -2.3855 -2.3790 -2.3506 -2.3467 -0.4085 -0.3910 0.2256 0.2331 0.5574 0.5791 1.5701 1.5966 2.4170 2.4742 2.6635 2.7254 3.3098 3.3500 3.4292 3.5193 3.7428 3.8697 4.0033 4.0446 4.3274 4.3593 4.5014 4.5533 8.5474 8.5718 8.8834 8.8977 9.0790 9.0937 9.8065 9.8256 k = 0.1518 0.3190 0.6656 ( 4538 PWs) bands (ev): -7.5806 -7.5803 -7.3428 -7.3426 -7.1090 -7.1084 -7.0133 -7.0126 -3.0789 -3.0669 -3.0364 -3.0174 -2.4593 -2.4235 -2.3859 -2.3785 -2.3510 -2.3467 -0.4082 -0.3906 0.1815 0.1887 0.5153 0.5361 1.5407 1.5652 2.4743 2.5313 2.7046 2.7668 3.3339 3.3854 3.4594 3.5331 3.7630 3.8914 4.0180 4.0586 4.3436 4.3758 4.4922 4.5439 8.4995 8.5250 8.8649 8.8797 9.0644 9.0734 9.7854 9.8040 k = 0.1607 0.3072 0.6804 ( 4532 PWs) bands (ev): -7.5670 -7.5667 -7.3377 -7.3375 -7.1193 -7.1186 -7.0217 -7.0210 -3.0766 -3.0644 -3.0367 -3.0182 -2.4561 -2.4204 -2.3864 -2.3779 -2.3517 -2.3467 -0.4055 -0.3879 0.1386 0.1456 0.4756 0.4956 1.5121 1.5347 2.5296 2.5860 2.7464 2.8084 3.3437 3.4090 3.5000 3.5515 3.7859 3.9128 4.0328 4.0733 4.3538 4.3866 4.4861 4.5351 8.4543 8.4803 8.8460 8.8637 9.0507 9.0549 9.7656 9.7831 k = 0.1696 0.2954 0.6952 ( 4528 PWs) bands (ev): -7.5531 -7.5528 -7.3335 -7.3333 -7.1286 -7.1280 -7.0303 -7.0296 -3.0743 -3.0619 -3.0370 -3.0192 -2.4529 -2.4174 -2.3870 -2.3772 -2.3525 -2.3469 -0.4004 -0.3827 0.0967 0.1040 0.4388 0.4579 1.4849 1.5056 2.5819 2.6374 2.7892 2.8506 3.3434 3.4208 3.5428 3.5748 3.8124 3.9343 4.0477 4.0886 4.3572 4.3923 4.4828 4.5271 8.4121 8.4381 8.8270 8.8481 9.0361 9.0411 9.7485 9.7644 k = 0.1786 0.2836 0.7100 ( 4526 PWs) bands (ev): -7.5390 -7.5387 -7.3306 -7.3303 -7.1368 -7.1362 -7.0391 -7.0384 -3.0721 -3.0593 -3.0374 -3.0204 -2.4496 -2.4145 -2.3876 -2.3765 -2.3535 -2.3472 -0.3927 -0.3752 0.0559 0.0637 0.4050 0.4234 1.4596 1.4785 2.6299 2.6842 2.8332 2.8937 3.3371 3.4227 3.5800 3.6018 3.8435 3.9564 4.0628 4.1046 4.3542 4.3940 4.4812 4.5196 8.3734 8.3988 8.8085 8.8323 9.0223 9.0308 9.7347 9.7486 k = 0.1875 0.2718 0.7247 ( 4522 PWs) bands (ev): -7.5249 -7.5246 -7.3292 -7.3289 -7.1435 -7.1430 -7.0479 -7.0471 -3.0700 -3.0566 -3.0377 -3.0218 -2.4464 -2.4118 -2.3883 -2.3758 -2.3546 -2.3477 -0.3825 -0.3651 0.0163 0.0249 0.3748 0.3924 1.4365 1.4538 2.6728 2.7258 2.8785 2.9381 3.3266 3.4173 3.6050 3.6318 3.8787 3.9796 4.0782 4.1211 4.3466 4.3927 4.4794 4.5120 8.3385 8.3626 8.7910 8.8161 9.0112 9.0222 9.7245 9.7361 k = 0.1964 0.2600 0.7395 ( 4524 PWs) bands (ev): -7.5110 -7.5106 -7.3295 -7.3292 -7.1484 -7.1479 -7.0566 -7.0558 -3.0680 -3.0539 -3.0381 -3.0234 -2.4433 -2.4094 -2.3889 -2.3751 -2.3558 -2.3482 -0.3698 -0.3527 -0.0221 -0.0126 0.3482 0.3651 1.4160 1.4318 2.7097 2.7619 2.9244 2.9836 3.3130 3.4068 3.6200 3.6593 3.9166 4.0044 4.0937 4.1384 4.3366 4.3891 4.4762 4.5033 8.3078 8.3301 8.7750 8.7997 9.0028 9.0149 9.7176 9.7269 k = 0.2054 0.2483 0.7543 ( 4522 PWs) bands (ev): -7.4975 -7.4971 -7.3316 -7.3313 -7.1513 -7.1509 -7.0650 -7.0642 -3.0663 -3.0512 -3.0385 -3.0252 -2.4405 -2.4073 -2.3894 -2.3744 -2.3570 -2.3488 -0.3548 -0.3380 -0.0590 -0.0486 0.3254 0.3417 1.3984 1.4127 2.7406 2.7925 2.9702 3.0299 3.2967 3.3923 3.6286 3.6799 3.9538 4.0307 4.1088 4.1571 4.3257 4.3840 4.4710 4.4930 8.2816 8.3015 8.7609 8.7837 8.9968 9.0086 9.7137 9.7208 k = 0.2143 0.2365 0.7691 ( 4518 PWs) bands (ev): -7.4848 -7.4844 -7.3352 -7.3348 -7.1525 -7.1521 -7.0729 -7.0721 -3.0648 -3.0484 -3.0388 -3.0271 -2.4379 -2.4056 -2.3897 -2.3739 -2.3581 -2.3493 -0.3376 -0.3214 -0.0941 -0.0829 0.3067 0.3225 1.3837 1.3968 2.7654 2.8176 3.0150 3.0756 3.2779 3.3742 3.6329 3.6934 3.9867 4.0590 4.1226 4.1770 4.3156 4.3779 4.4641 4.4806 8.2601 8.2772 8.7493 8.7689 8.9927 9.0032 9.7120 9.7172 k = 0.2232 0.2247 0.7839 ( 4514 PWs) bands (ev): -7.4734 -7.4731 -7.3397 -7.3393 -7.1523 -7.1519 -7.0799 -7.0791 -3.0636 -3.0457 -3.0391 -3.0292 -2.4357 -2.4044 -2.3898 -2.3734 -2.3591 -2.3499 -0.3185 -0.3032 -0.1269 -0.1151 0.2921 0.3074 1.3722 1.3842 2.7846 2.8372 3.0579 3.1195 3.2568 3.3532 3.6347 3.7009 4.0119 4.0890 4.1340 4.1962 4.3084 4.3710 4.4560 4.4670 8.2436 8.2575 8.7405 8.7561 8.9901 8.9987 9.7117 9.7153 k = 0.2321 0.2129 0.7987 ( 4510 PWs) bands (ev): -7.4641 -7.4638 -7.3442 -7.3439 -7.1513 -7.1510 -7.0857 -7.0849 -3.0627 -3.0431 -3.0394 -3.0314 -2.4341 -2.4037 -2.3897 -2.3731 -2.3599 -2.3503 -0.2986 -0.2848 -0.1560 -0.1441 0.2816 0.2966 1.3639 1.3752 2.7981 2.8513 3.0982 3.1589 3.2340 3.3299 3.6351 3.7043 4.0286 4.1183 4.1425 4.2091 4.3081 4.3624 4.4479 4.4543 8.2322 8.2428 8.7347 8.7456 8.9889 8.9949 9.7121 9.7147 k = 0.2411 0.2011 0.8135 ( 4504 PWs) bands (ev): -7.4579 -7.4576 -7.3477 -7.3473 -7.1502 -7.1499 -7.0895 -7.0887 -3.0622 -3.0408 -3.0395 -3.0334 -2.4330 -2.4034 -2.3896 -2.3730 -2.3604 -2.3506 -0.2802 -0.2693 -0.1782 -0.1677 0.2752 0.2901 1.3589 1.3697 2.8062 2.8597 3.1349 3.1837 3.2160 3.3072 3.6350 3.7055 4.0379 4.1412 4.1490 4.2113 4.3176 4.3509 4.4410 4.4455 8.2257 8.2336 8.7322 8.7382 8.9888 8.9919 9.7125 9.7147 k = 0.2500 0.1893 0.8283 ( 4492 PWs) bands (ev): -7.4556 -7.4554 -7.3490 -7.3487 -7.1497 -7.1495 -7.0908 -7.0900 -3.0620 -3.0398 -3.0395 -3.0345 -2.4327 -2.4033 -2.3895 -2.3729 -2.3606 -2.3507 -0.2708 -0.2635 -0.1868 -0.1784 0.2731 0.2880 1.3572 1.3678 2.8089 2.8626 3.1640 3.1703 3.2191 3.2954 3.6349 3.7057 4.0409 4.1469 4.1557 4.2093 4.3292 4.3398 4.4381 4.4427 8.2237 8.2303 8.7322 8.7349 8.9896 8.9902 9.7127 9.7147 k = 0.2500 0.1893 0.8283 ( 4492 PWs) bands (ev): -7.4556 -7.4554 -7.3490 -7.3487 -7.1497 -7.1495 -7.0908 -7.0900 -3.0620 -3.0398 -3.0395 -3.0345 -2.4327 -2.4033 -2.3895 -2.3729 -2.3606 -2.3507 -0.2708 -0.2635 -0.1868 -0.1784 0.2731 0.2880 1.3572 1.3678 2.8089 2.8626 3.1640 3.1703 3.2191 3.2954 3.6349 3.7057 4.0409 4.1469 4.1557 4.2093 4.3292 4.3398 4.4381 4.4427 8.2237 8.2303 8.7322 8.7349 8.9896 8.9902 9.7127 9.7147 k = 0.2632 0.1993 0.8158 ( 4510 PWs) bands (ev): -7.4564 -7.4562 -7.3486 -7.3482 -7.1498 -7.1496 -7.0904 -7.0896 -3.0620 -3.0404 -3.0394 -3.0340 -2.4327 -2.4034 -2.3895 -2.3731 -2.3603 -2.3506 -0.2768 -0.2677 -0.1842 -0.1748 0.2774 0.2922 1.3597 1.3704 2.8008 2.8526 3.1473 3.1783 3.2240 3.2970 3.6382 3.7068 4.0406 4.1366 4.1633 4.2114 4.3240 4.3461 4.4408 4.4453 8.2195 8.2263 8.7301 8.7341 8.9938 8.9955 9.7124 9.7144 k = 0.2763 0.2092 0.8033 ( 4504 PWs) bands (ev): -7.4582 -7.4580 -7.3476 -7.3473 -7.1503 -7.1501 -7.0890 -7.0882 -3.0622 -3.0414 -3.0396 -3.0330 -2.4329 -2.4038 -2.3895 -2.3736 -2.3596 -2.3502 -0.2913 -0.2796 -0.1772 -0.1661 0.2898 0.3043 1.3671 1.3779 2.7781 2.8253 3.1233 3.1798 3.2321 3.3011 3.6474 3.7102 4.0400 4.1222 4.1708 4.2172 4.3186 4.3559 4.4480 4.4528 8.2069 8.2141 8.7254 8.7309 9.0077 9.0107 9.7121 9.7140 k = 0.2895 0.2192 0.7908 ( 4511 PWs) bands (ev): -7.4608 -7.4605 -7.3465 -7.3461 -7.1510 -7.1508 -7.0870 -7.0862 -3.0624 -3.0428 -3.0399 -3.0317 -2.4333 -2.4046 -2.3897 -2.3742 -2.3586 -2.3497 -0.3094 -0.2960 -0.1678 -0.1558 0.3090 0.3233 1.3791 1.3901 2.7435 2.7855 3.0957 3.1672 3.2424 3.3082 3.6601 3.7152 4.0394 4.1078 4.1757 4.2250 4.3173 4.3660 4.4593 4.4646 8.1866 8.1939 8.7193 8.7254 9.0306 9.0351 9.7125 9.7145 k = 0.3026 0.2291 0.7783 ( 4521 PWs) bands (ev): -7.4636 -7.4633 -7.3454 -7.3451 -7.1519 -7.1516 -7.0845 -7.0838 -3.0627 -3.0442 -3.0404 -3.0304 -2.4338 -2.4056 -2.3901 -2.3746 -2.3576 -2.3490 -0.3281 -0.3137 -0.1579 -0.1458 0.3338 0.3479 1.3953 1.4066 2.7002 2.7377 3.0639 3.1389 3.2570 3.3172 3.6726 3.7202 4.0385 4.0942 4.1796 4.2322 4.3214 4.3754 4.4743 4.4804 8.1602 8.1671 8.7124 8.7182 9.0611 9.0680 9.7140 9.7166 k = 0.3158 0.2391 0.7658 ( 4518 PWs) bands (ev): -7.4664 -7.4661 -7.3447 -7.3444 -7.1528 -7.1525 -7.0818 -7.0811 -3.0632 -3.0457 -3.0409 -3.0291 -2.4345 -2.4069 -2.3909 -2.3748 -2.3566 -2.3483 -0.3456 -0.3307 -0.1484 -0.1366 0.3631 0.3771 1.4154 1.4270 2.6511 2.6853 3.0276 3.0994 3.2740 3.3266 3.6819 3.7235 4.0371 4.0816 4.1836 4.2378 4.3300 4.3836 4.4929 4.5003 8.1297 8.1357 8.7049 8.7100 9.0979 9.1079 9.7168 9.7206 k = 0.3289 0.2491 0.7533 ( 4524 PWs) bands (ev): -7.4689 -7.4686 -7.3444 -7.3441 -7.1537 -7.1533 -7.0791 -7.0784 -3.0637 -3.0472 -3.0416 -3.0281 -2.4354 -2.4084 -2.3920 -2.3748 -2.3557 -2.3475 -0.3605 -0.3455 -0.1396 -0.1285 0.3957 0.4096 1.4389 1.4509 2.5987 2.6306 2.9870 3.0531 3.2914 3.3358 3.6863 3.7237 4.0349 4.0702 4.1880 4.2420 4.3404 4.3903 4.5145 4.5240 8.0974 8.1021 8.6972 8.7013 9.1395 9.1531 9.7211 9.7268 k = 0.3421 0.2590 0.7408 ( 4529 PWs) bands (ev): -7.4710 -7.4707 -7.3446 -7.3443 -7.1545 -7.1541 -7.0765 -7.0758 -3.0644 -3.0487 -3.0424 -3.0272 -2.4365 -2.4102 -2.3932 -2.3747 -2.3550 -2.3468 -0.3721 -0.3570 -0.1316 -0.1214 0.4305 0.4444 1.4654 1.4777 2.5450 2.5754 2.9432 3.0029 3.3081 3.3442 3.6855 3.7198 4.0320 4.0602 4.1927 4.2454 4.3499 4.3955 4.5386 4.5500 8.0654 8.0686 8.6893 8.6927 9.1847 9.2022 9.7268 9.7349 k = 0.3553 0.2690 0.7283 ( 4529 PWs) bands (ev): -7.4725 -7.4723 -7.3455 -7.3452 -7.1551 -7.1547 -7.0741 -7.0734 -3.0653 -3.0501 -3.0433 -3.0265 -2.4379 -2.4121 -2.3944 -2.3746 -2.3544 -2.3463 -0.3796 -0.3646 -0.1244 -0.1152 0.4665 0.4805 1.4943 1.5069 2.4914 2.5209 2.8972 2.9508 3.3233 3.3518 3.6795 3.7115 4.0285 4.0514 4.1973 4.2485 4.3570 4.3993 4.5641 4.5765 8.0355 8.0378 8.6813 8.6847 9.2323 9.2539 9.7335 9.7447 k = 0.3684 0.2790 0.7158 ( 4528 PWs) bands (ev): -7.4734 -7.4732 -7.3470 -7.3468 -7.1555 -7.1551 -7.0720 -7.0714 -3.0663 -3.0515 -3.0443 -3.0260 -2.4395 -2.4141 -2.3957 -2.3745 -2.3541 -2.3460 -0.3827 -0.3678 -0.1179 -0.1098 0.5026 0.5169 1.5249 1.5379 2.4395 2.4685 2.8504 2.8983 3.3364 3.3582 3.6690 3.6989 4.0249 4.0439 4.2015 4.2513 4.3611 4.4020 4.5890 4.6014 8.0087 8.0121 8.6736 8.6778 9.2809 9.3068 9.7410 9.7557 k = 0.3816 0.2889 0.7033 ( 4535 PWs) bands (ev): -7.4735 -7.4733 -7.3493 -7.3491 -7.1557 -7.1553 -7.0703 -7.0697 -3.0674 -3.0529 -3.0453 -3.0258 -2.4414 -2.4163 -2.3969 -2.3744 -2.3541 -2.3460 -0.3809 -0.3662 -0.1119 -0.1049 0.5380 0.5525 1.5567 1.5700 2.3903 2.4192 2.8040 2.8467 3.3465 3.3634 3.6544 3.6825 4.0216 4.0375 4.2047 4.2538 4.3628 4.4037 4.6114 4.6229 7.9868 7.9926 8.6665 8.6723 9.3295 9.3598 9.7484 9.7673 k = 0.3947 0.2989 0.6908 ( 4530 PWs) bands (ev): -7.4729 -7.4727 -7.3525 -7.3523 -7.1556 -7.1552 -7.0690 -7.0684 -3.0688 -3.0541 -3.0463 -3.0258 -2.4437 -2.4186 -2.3980 -2.3744 -2.3543 -2.3463 -0.3741 -0.3598 -0.1065 -0.1004 0.5716 0.5865 1.5889 1.6023 2.3449 2.3740 2.7591 2.7970 3.3528 3.3678 3.6366 3.6628 4.0190 4.0325 4.2067 4.2556 4.3626 4.4047 4.6294 4.6395 7.9715 7.9801 8.6608 8.6684 9.3769 9.4115 9.7549 9.7787 k = 0.4079 0.3089 0.6783 ( 4535 PWs) bands (ev): -7.4716 -7.4714 -7.3565 -7.3563 -7.1552 -7.1548 -7.0679 -7.0673 -3.0704 -3.0554 -3.0472 -3.0260 -2.4463 -2.4208 -2.3989 -2.3744 -2.3549 -2.3467 -0.3623 -0.3483 -0.1014 -0.0962 0.6028 0.6180 1.6205 1.6340 2.3044 2.3338 2.7169 2.7503 3.3544 3.3714 3.6161 3.6404 4.0172 4.0286 4.2069 4.2561 4.3614 4.4053 4.6415 4.6501 7.9636 7.9751 8.6567 8.6664 9.4220 9.4605 9.7598 9.7890 k = 0.4211 0.3188 0.6658 ( 4534 PWs) bands (ev): -7.4694 -7.4692 -7.3615 -7.3613 -7.1546 -7.1542 -7.0671 -7.0666 -3.0722 -3.0565 -3.0481 -3.0263 -2.4492 -2.4231 -2.3998 -2.3744 -2.3557 -2.3474 -0.3455 -0.3320 -0.0967 -0.0920 0.6305 0.6461 1.6506 1.6644 2.2695 2.2994 2.6785 2.7076 3.3518 3.3732 3.5935 3.6161 4.0162 4.0260 4.2051 4.2549 4.3600 4.4058 4.6468 4.6539 7.9635 7.9778 8.6547 8.6666 9.4633 9.5053 9.7619 9.7971 k = 0.4342 0.3288 0.6533 ( 4534 PWs) bands (ev): -7.4665 -7.4663 -7.3675 -7.3673 -7.1536 -7.1532 -7.0664 -7.0659 -3.0742 -3.0577 -3.0490 -3.0269 -2.4523 -2.4253 -2.4005 -2.3745 -2.3568 -2.3483 -0.3240 -0.3109 -0.0922 -0.0877 0.6541 0.6700 1.6782 1.6923 2.2408 2.2717 2.6450 2.6698 3.3452 3.3723 3.5696 3.5907 4.0160 4.0246 4.2011 4.2516 4.3591 4.4065 4.6450 4.6507 7.9709 7.9880 8.6551 8.6694 9.4996 9.5441 9.7607 9.8019 k = 0.4474 0.3387 0.6408 ( 4531 PWs) bands (ev): -7.4630 -7.4628 -7.3745 -7.3742 -7.1523 -7.1520 -7.0658 -7.0653 -3.0763 -3.0588 -3.0497 -3.0276 -2.4557 -2.4275 -2.4011 -2.3745 -2.3582 -2.3493 -0.2980 -0.2855 -0.0877 -0.0829 0.6729 0.6891 1.7023 1.7171 2.2186 2.2510 2.6174 2.6378 3.3349 3.3678 3.5450 3.5651 4.0162 4.0241 4.1948 4.2459 4.3587 4.4073 4.6365 4.6412 7.9854 8.0051 8.6584 8.6751 9.5293 9.5749 9.7561 9.8028 k = 0.4605 0.3487 0.6283 ( 4533 PWs) bands (ev): -7.4591 -7.4588 -7.3823 -7.3820 -7.1507 -7.1504 -7.0652 -7.0647 -3.0785 -3.0600 -3.0504 -3.0283 -2.4593 -2.4296 -2.4017 -2.3746 -2.3596 -2.3503 -0.2683 -0.2564 -0.0830 -0.0774 0.6867 0.7032 1.7221 1.7379 2.2030 2.2375 2.5965 2.6126 3.3206 3.3590 3.5207 3.5402 4.0163 4.0239 4.1867 4.2383 4.3582 4.4079 4.6222 4.6262 8.0060 8.0279 8.6648 8.6841 9.5502 9.5951 9.7493 9.8000 k = 0.4737 0.3587 0.6158 ( 4534 PWs) bands (ev): -7.4551 -7.4548 -7.3907 -7.3903 -7.1488 -7.1485 -7.0644 -7.0639 -3.0807 -3.0611 -3.0510 -3.0291 -2.4629 -2.4317 -2.4021 -2.3747 -2.3611 -2.3515 -0.2358 -0.2247 -0.0772 -0.0704 0.6954 0.7122 1.7370 1.7542 2.1937 2.2308 2.5827 2.5949 3.3024 3.3455 3.4974 3.5170 4.0157 4.0232 4.1773 4.2298 4.3563 4.4072 4.6043 4.6076 8.0314 8.0550 8.6744 8.6964 9.5596 9.6011 9.7426 9.7944 k = 0.4868 0.3686 0.6033 ( 4538 PWs) bands (ev): -7.4522 -7.4518 -7.3985 -7.3980 -7.1465 -7.1462 -7.0633 -7.0629 -3.0830 -3.0622 -3.0516 -3.0299 -2.4664 -2.4338 -2.4025 -2.3748 -2.3625 -2.3526 -0.2025 -0.1923 -0.0689 -0.0605 0.6991 0.7162 1.7471 1.7659 2.1900 2.2300 2.5759 2.5854 3.2803 3.3269 3.4758 3.4961 4.0132 4.0209 4.1678 4.2216 4.3506 4.4032 4.5856 4.5885 8.0601 8.0850 8.6873 8.7121 9.5547 9.5911 9.7366 9.7866 k = 0.5000 0.3786 0.5908 ( 4546 PWs) bands (ev): -7.4524 -7.4520 -7.4039 -7.4033 -7.1439 -7.1436 -7.0619 -7.0615 -3.0852 -3.0633 -3.0522 -3.0306 -2.4699 -2.4359 -2.4029 -2.3751 -2.3638 -2.3538 -0.1720 -0.1624 -0.0550 -0.0449 0.6984 0.7157 1.7528 1.7730 2.1908 2.2339 2.5752 2.5845 3.2546 3.3035 3.4564 3.4778 4.0077 4.0155 4.1595 4.2151 4.3386 4.3932 4.5698 4.5726 8.0904 8.1160 8.7030 8.7306 9.5337 9.5665 9.7257 9.7723 k = 0.5000 0.3786 0.5908 ( 4546 PWs) bands (ev): -7.4524 -7.4520 -7.4039 -7.4033 -7.1439 -7.1436 -7.0619 -7.0615 -3.0852 -3.0633 -3.0522 -3.0306 -2.4699 -2.4359 -2.4029 -2.3751 -2.3638 -2.3538 -0.1720 -0.1624 -0.0550 -0.0449 0.6984 0.7157 1.7528 1.7730 2.1908 2.2339 2.5752 2.5845 3.2546 3.3035 3.4564 3.4778 4.0077 4.0155 4.1595 4.2151 4.3386 4.3932 4.5698 4.5726 8.0904 8.1160 8.7030 8.7306 9.5337 9.5665 9.7257 9.7723 k = 0.5000 0.3786 0.5697 ( 4540 PWs) bands (ev): -7.4584 -7.4579 -7.4082 -7.4076 -7.1387 -7.1384 -7.0592 -7.0589 -3.0887 -3.0652 -3.0533 -3.0317 -2.4754 -2.4395 -2.4034 -2.3755 -2.3659 -2.3557 -0.1249 -0.1162 -0.0243 -0.0115 0.6942 0.7116 1.7599 1.7824 2.1958 2.2440 2.5788 2.5903 3.2082 3.2596 3.4271 3.4503 3.9950 4.0027 4.1466 4.2058 4.3121 4.3703 4.5467 4.5499 8.1428 8.1687 8.7292 8.7619 9.4803 9.5104 9.6905 9.7286 k = 0.5000 0.3786 0.5486 ( 4544 PWs) bands (ev): -7.4673 -7.4669 -7.4104 -7.4099 -7.1326 -7.1323 -7.0565 -7.0562 -3.0919 -3.0671 -3.0546 -3.0327 -2.4803 -2.4432 -2.4040 -2.3762 -2.3679 -2.3574 -0.0783 -0.0694 0.0066 0.0223 0.6909 0.7076 1.7685 1.7935 2.2012 2.2547 2.5820 2.5961 3.1619 3.2150 3.4008 3.4253 3.9817 3.9891 4.1333 4.1961 4.2861 4.3482 4.5226 4.5260 8.1955 8.2212 8.7497 8.7879 9.4210 9.4489 9.6451 9.6698 k = 0.5000 0.3786 0.5275 ( 4536 PWs) bands (ev): -7.4784 -7.4781 -7.4112 -7.4107 -7.1256 -7.1253 -7.0537 -7.0534 -3.0947 -3.0691 -3.0561 -3.0337 -2.4847 -2.4470 -2.4045 -2.3771 -2.3696 -2.3591 -0.0333 -0.0225 0.0367 0.0554 0.6893 0.7044 1.7789 1.8067 2.2071 2.2660 2.5848 2.6019 3.1167 3.1709 3.3778 3.4030 3.9681 3.9746 4.1195 4.1859 4.2610 4.3271 4.4978 4.5012 8.2472 8.2721 8.7625 8.8057 9.3601 9.3852 9.5918 9.6034 k = 0.5000 0.3786 0.5064 ( 4532 PWs) bands (ev): -7.4911 -7.4908 -7.4112 -7.4107 -7.1180 -7.1177 -7.0506 -7.0505 -3.0971 -3.0712 -3.0578 -3.0345 -2.4885 -2.4508 -2.4050 -2.3787 -2.3708 -2.3606 0.0091 0.0233 0.0654 0.0866 0.6906 0.7029 1.7914 1.8225 2.2134 2.2781 2.5870 2.6076 3.0737 3.1281 3.3579 3.3836 3.9540 3.9593 4.1056 4.1750 4.2370 4.3071 4.4725 4.4759 8.2964 8.3196 8.7656 8.8125 9.2996 9.3203 9.5268 9.5378 k = 0.5000 0.3786 0.4853 ( 4536 PWs) bands (ev): -7.5048 -7.5045 -7.4110 -7.4105 -7.1097 -7.1094 -7.0473 -7.0472 -3.0991 -3.0733 -3.0596 -3.0352 -2.4916 -2.4545 -2.4055 -2.3809 -2.3715 -2.3619 0.0484 0.0667 0.0914 0.1144 0.6958 0.7044 1.8064 1.8411 2.2203 2.2907 2.5885 2.6130 3.0337 3.0877 3.3414 3.3674 3.9395 3.9434 4.0915 4.1630 4.2149 4.2884 4.4470 4.4505 8.3409 8.3613 8.7585 8.8061 9.2401 9.2545 9.4479 9.4644 k = 0.5000 0.3786 0.4642 ( 4534 PWs) bands (ev): -7.5191 -7.5188 -7.4108 -7.4103 -7.1009 -7.1007 -7.0437 -7.0436 -3.1006 -3.0755 -3.0614 -3.0358 -2.4940 -2.4580 -2.4059 -2.3836 -2.3719 -2.3630 0.0839 0.1056 0.1143 0.1375 0.7057 0.7112 1.8239 1.8630 2.2276 2.3039 2.5890 2.6181 2.9974 3.0503 3.3280 3.3544 3.9241 3.9274 4.0775 4.1490 4.1957 4.2709 4.4214 4.4254 8.3778 8.3941 8.7421 8.7865 9.1812 9.1884 9.3529 9.3846 k = 0.5000 0.3786 0.4431 ( 4542 PWs) bands (ev): -7.5337 -7.5335 -7.4108 -7.4103 -7.0917 -7.0915 -7.0398 -7.0396 -3.1015 -3.0777 -3.0632 -3.0363 -2.4958 -2.4613 -2.4062 -2.3866 -2.3721 -2.3640 0.1141 0.1291 0.1420 0.1556 0.7192 0.7272 1.8443 1.8884 2.2355 2.3175 2.5884 2.6226 2.9656 3.0166 3.3178 3.3446 3.9075 3.9120 4.0637 4.1322 4.1803 4.2547 4.3960 4.4009 8.4032 8.4142 8.7188 8.7560 9.1204 9.1275 9.2541 9.2944 k = 0.5000 0.3786 0.4220 ( 4546 PWs) bands (ev): -7.5484 -7.5482 -7.4112 -7.4107 -7.0821 -7.0819 -7.0355 -7.0352 -3.1019 -3.0800 -3.0650 -3.0367 -2.4970 -2.4643 -2.4064 -2.3899 -2.3723 -2.3647 0.1325 0.1438 0.1651 0.1750 0.7382 0.7524 1.8676 1.9176 2.2439 2.3315 2.5867 2.6266 2.9389 2.9871 3.3107 3.3381 3.8899 3.8969 4.0501 4.1127 4.1687 4.2398 4.3710 4.3773 8.4117 8.4188 8.6905 8.7179 9.0590 9.0777 9.1557 9.2029 k = 0.5000 0.3786 0.4009 ( 4550 PWs) bands (ev): -7.5631 -7.5629 -7.4120 -7.4115 -7.0723 -7.0721 -7.0308 -7.0304 -3.1019 -3.0822 -3.0668 -3.0371 -2.4976 -2.4669 -2.4066 -2.3932 -2.3727 -2.3653 0.1344 0.1530 0.1811 0.1978 0.7649 0.7855 1.8936 1.9503 2.2527 2.3457 2.5836 2.6297 2.9177 2.9623 3.3065 3.3347 3.8717 3.8819 4.0368 4.0915 4.1599 4.2261 4.3468 4.3547 8.3984 8.4090 8.6550 8.6748 9.0023 9.0347 9.0650 9.1190 k = 0.5000 0.3786 0.3798 ( 4542 PWs) bands (ev): -7.5777 -7.5775 -7.4133 -7.4127 -7.0623 -7.0621 -7.0257 -7.0252 -3.1013 -3.0844 -3.0685 -3.0374 -2.4977 -2.4689 -2.4067 -2.3966 -2.3732 -2.3656 0.1263 0.1500 0.1982 0.2165 0.7995 0.8256 1.9222 1.9863 2.2621 2.3600 2.5791 2.6320 2.9024 2.9429 3.3051 3.3344 3.8533 3.8670 4.0236 4.0695 4.1532 4.2136 4.3236 4.3334 8.3674 8.3835 8.6082 8.6271 8.9382 8.9597 9.0252 9.0611 k = 0.5000 0.3786 0.3587 ( 4544 PWs) bands (ev): -7.5919 -7.5917 -7.4149 -7.4143 -7.0523 -7.0521 -7.0202 -7.0197 -3.1003 -3.0865 -3.0702 -3.0376 -2.4974 -2.4704 -2.4068 -2.4000 -2.3738 -2.3658 0.1106 0.1382 0.2130 0.2307 0.8411 0.8714 1.9528 2.0250 2.2718 2.3741 2.5731 2.6334 2.8932 2.9297 3.3064 3.3368 3.8348 3.8521 4.0104 4.0475 4.1480 4.2022 4.3017 4.3135 8.3252 8.3452 8.5512 8.5718 8.8533 8.8754 9.0141 9.0422 k = 0.5000 0.3786 0.3376 ( 4540 PWs) bands (ev): -7.6058 -7.6056 -7.4170 -7.4163 -7.0422 -7.0420 -7.0145 -7.0139 -3.0988 -3.0884 -3.0718 -3.0378 -2.4969 -2.4711 -2.4072 -2.4030 -2.3746 -2.3658 0.0891 0.1196 0.2245 0.2407 0.8885 0.9217 1.9849 2.0655 2.2819 2.3876 2.5658 2.6337 2.8899 2.9237 3.3102 3.3417 3.8164 3.8373 3.9966 4.0258 4.1441 4.1918 4.2813 4.2951 8.2766 8.2986 8.4878 8.5091 8.7633 8.7890 9.0179 9.0453 k = 0.5000 0.3786 0.3165 ( 4546 PWs) bands (ev): -7.6193 -7.6191 -7.4194 -7.4187 -7.0323 -7.0321 -7.0084 -7.0078 -3.0971 -3.0901 -3.0735 -3.0380 -2.4962 -2.4710 -2.4088 -2.4047 -2.3755 -2.3658 0.0631 0.0957 0.2325 0.2470 0.9402 0.9752 2.0177 2.1066 2.2924 2.4004 2.5572 2.6328 2.8920 2.9260 3.3161 3.3487 3.7982 3.8225 3.9816 4.0053 4.1413 4.1825 4.2627 4.2783 8.2251 8.2479 8.4212 8.4418 8.6752 8.7026 9.0310 9.0571 k = 0.5000 0.3786 0.2954 ( 4544 PWs) bands (ev): -7.6322 -7.6320 -7.4221 -7.4214 -7.0225 -7.0223 -7.0023 -7.0016 -3.0953 -3.0913 -3.0751 -3.0381 -2.4955 -2.4700 -2.4116 -2.4049 -2.3765 -2.3658 0.0342 0.0678 0.2372 0.2499 0.9950 1.0310 2.0505 2.1468 2.3031 2.4120 2.5476 2.6308 2.8995 2.9375 3.3240 3.3577 3.7804 3.8080 3.9641 3.9867 4.1394 4.1741 4.2460 4.2632 8.1733 8.1961 8.3539 8.3731 8.5905 8.6184 9.0480 9.0718 k = 0.5000 0.3786 0.2743 ( 4536 PWs) bands (ev): -7.6445 -7.6443 -7.4251 -7.4244 -7.0130 -7.0128 -6.9960 -6.9953 -3.0947 -3.0908 -3.0766 -3.0383 -2.4949 -2.4683 -2.4148 -2.4047 -2.3775 -2.3659 0.0032 0.0372 0.2390 0.2501 1.0518 1.0881 2.0825 2.1847 2.3141 2.4221 2.5373 2.6275 2.9128 2.9580 3.3336 3.3682 3.7629 3.7935 3.9440 3.9701 4.1385 4.1668 4.2315 4.2496 8.1225 8.1450 8.2875 8.3051 8.5098 8.5375 9.0650 9.0858 k = 0.5000 0.3786 0.2532 ( 4546 PWs) bands (ev): -7.6561 -7.6559 -7.4281 -7.4275 -7.0038 -7.0037 -6.9897 -6.9890 -3.0954 -3.0885 -3.0782 -3.0385 -2.4943 -2.4659 -2.4177 -2.4042 -2.3786 -2.3661 -0.0287 0.0049 0.2383 0.2479 1.1095 1.1456 2.1132 2.2188 2.3253 2.4301 2.5269 2.6232 2.9329 2.9865 3.3446 3.3799 3.7460 3.7793 3.9222 3.9542 4.1383 4.1605 4.2190 4.2377 8.0741 8.0961 8.2234 8.2393 8.4334 8.4605 9.0771 9.0947 k = 0.5000 0.3786 0.2321 ( 4546 PWs) bands (ev): -7.6669 -7.6668 -7.4313 -7.4306 -6.9951 -6.9949 -6.9835 -6.9828 -3.0963 -3.0857 -3.0796 -3.0388 -2.4935 -2.4631 -2.4204 -2.4037 -2.3797 -2.3665 -0.0608 -0.0282 0.2356 0.2439 1.1674 1.2028 2.1419 2.2479 2.3364 2.4354 2.5173 2.6180 2.9599 3.0222 3.3567 3.3926 3.7297 3.7653 3.8992 3.9379 4.1387 4.1555 4.2085 4.2273 8.0289 8.0502 8.1625 8.1767 8.3618 8.3878 9.0679 9.0887 k = 0.5000 0.3786 0.2110 ( 4550 PWs) bands (ev): -7.6770 -7.6769 -7.4344 -7.4338 -6.9868 -6.9867 -6.9775 -6.9768 -3.0970 -3.0833 -3.0803 -3.0391 -2.4927 -2.4603 -2.4224 -2.4030 -2.3809 -2.3670 -0.0922 -0.0611 0.2314 0.2386 1.2246 1.2589 2.1683 2.2716 2.3469 2.4365 2.5103 2.6120 2.9938 3.0639 3.3697 3.4058 3.7141 3.7515 3.8756 3.9207 4.1398 4.1518 4.1999 4.2182 7.9873 8.0079 8.1055 8.1180 8.2953 8.3200 9.0239 9.0516 k = 0.5000 0.3786 0.1899 ( 4544 PWs) bands (ev): -7.6863 -7.6861 -7.4375 -7.4370 -6.9791 -6.9789 -6.9717 -6.9710 -3.0976 -3.0835 -3.0782 -3.0396 -2.4917 -2.4579 -2.4235 -2.4023 -2.3820 -2.3678 -0.1224 -0.0932 0.2262 0.2323 1.2804 1.3133 2.1922 2.2901 2.3560 2.4322 2.5072 2.6055 3.0338 3.1102 3.3834 3.4193 3.6992 3.7380 3.8513 3.9020 4.1412 4.1494 4.1929 4.2104 7.9498 7.9697 8.0529 8.0639 8.2341 8.2572 8.9675 8.9950 k = 0.5000 0.3786 0.1688 ( 4542 PWs) bands (ev): -7.6947 -7.6946 -7.4405 -7.4400 -6.9720 -6.9719 -6.9663 -6.9657 -3.0980 -3.0848 -3.0750 -3.0401 -2.4905 -2.4565 -2.4233 -2.4014 -2.3832 -2.3689 -0.1508 -0.1239 0.2203 0.2255 1.3341 1.3652 2.2135 2.3042 2.3630 2.4228 2.5083 2.5988 3.0788 3.1598 3.3973 3.4328 3.6850 3.7249 3.8265 3.8817 4.1430 4.1486 4.1873 4.2036 7.9167 7.9358 8.0053 8.0147 8.1786 8.1998 8.9090 8.9346 k = 0.5000 0.3786 0.1477 ( 4542 PWs) bands (ev): -7.7022 -7.7021 -7.4432 -7.4428 -6.9656 -6.9655 -6.9613 -6.9607 -3.0982 -3.0862 -3.0717 -3.0408 -2.4890 -2.4563 -2.4216 -2.4005 -2.3845 -2.3702 -0.1768 -0.1525 0.2142 0.2186 1.3849 1.4139 2.2322 2.3149 2.3674 2.4098 2.5124 2.5922 3.1273 3.2113 3.4114 3.4460 3.6718 3.7121 3.8012 3.8595 4.1449 4.1491 4.1828 4.1977 7.8881 7.9062 7.9630 7.9708 8.1289 8.1481 8.8519 8.8753 k = 0.5000 0.3786 0.1266 ( 4540 PWs) bands (ev): -7.7088 -7.7086 -7.4457 -7.4453 -6.9599 -6.9598 -6.9568 -6.9563 -3.0982 -3.0876 -3.0683 -3.0417 -2.4873 -2.4573 -2.4186 -2.3996 -2.3857 -2.3719 -0.1999 -0.1786 0.2083 0.2119 1.4322 1.4586 2.2484 2.3230 2.3691 2.3951 2.5179 2.5858 3.1778 3.2630 3.4253 3.4584 3.6597 3.7000 3.7755 3.8355 4.1471 4.1507 4.1792 4.1924 7.8639 7.8807 7.9265 7.9326 8.0853 8.1022 8.7985 8.8194 k = 0.5000 0.3786 0.1055 ( 4552 PWs) bands (ev): -7.7143 -7.7142 -7.4479 -7.4476 -6.9550 -6.9549 -6.9529 -6.9525 -3.0980 -3.0889 -3.0650 -3.0427 -2.4854 -2.4591 -2.4146 -2.3985 -2.3870 -2.3740 -0.2199 -0.2017 0.2027 0.2056 1.4750 1.4982 2.2622 2.3288 2.3682 2.3805 2.5241 2.5798 3.2288 3.3132 3.4389 3.4696 3.6489 3.6885 3.7498 3.8095 4.1496 4.1529 4.1762 4.1876 7.8440 7.8591 7.8959 7.9005 8.0480 8.0624 8.7504 8.7685 k = 0.5000 0.3786 0.0844 ( 4556 PWs) bands (ev): -7.7189 -7.7189 -7.4498 -7.4495 -6.9510 -6.9509 -6.9496 -6.9492 -3.0977 -3.0903 -3.0619 -3.0439 -2.4832 -2.4615 -2.4101 -2.3974 -2.3883 -2.3765 -0.2363 -0.2216 0.1979 0.2002 1.5125 1.5320 2.2737 2.3321 2.3625 2.3704 2.5304 2.5741 3.2787 3.3597 3.4518 3.4792 3.6401 3.6781 3.7248 3.7816 4.1525 4.1554 4.1738 4.1832 7.8280 7.8408 7.8718 7.8747 8.0173 8.0291 8.7092 8.7242 k = 0.5000 0.3786 0.0633 ( 4552 PWs) bands (ev): -7.7225 -7.7225 -7.4512 -7.4510 -6.9478 -6.9477 -6.9470 -6.9467 -3.0972 -3.0915 -3.0588 -3.0453 -2.4809 -2.4642 -2.4054 -2.3962 -2.3895 -2.3794 -0.2490 -0.2377 0.1940 0.1956 1.5437 1.5590 2.2832 2.3314 2.3542 2.3661 2.5366 2.5688 3.3260 3.3991 3.4639 3.4865 3.6345 3.6691 3.7018 3.7521 4.1558 4.1580 4.1716 4.1790 7.8157 7.8256 7.8540 7.8555 7.9933 8.0024 8.6761 8.6878 k = 0.5000 0.3786 0.0422 ( 4548 PWs) bands (ev): -7.7251 -7.7251 -7.4523 -7.4521 -6.9456 -6.9455 -6.9450 -6.9448 -3.0965 -3.0927 -3.0560 -3.0470 -2.4783 -2.4670 -2.4008 -2.3949 -2.3908 -2.3826 -0.2576 -0.2500 0.1911 0.1922 1.5677 1.5782 2.2914 2.3247 2.3518 2.3627 2.5425 2.5637 3.3688 3.4266 3.4748 3.4906 3.6347 3.6626 3.6827 3.7216 4.1594 4.1606 4.1695 4.1750 7.8070 7.8136 7.8420 7.8427 7.9765 7.9826 8.6523 8.6603 k = 0.5000 0.3786 0.0211 ( 4552 PWs) bands (ev): -7.7267 -7.7266 -7.4529 -7.4528 -6.9442 -6.9442 -6.9437 -6.9437 -3.0957 -3.0938 -3.0534 -3.0489 -2.4756 -2.4699 -2.3968 -2.3934 -2.3918 -2.3862 -0.2620 -0.2582 0.1895 0.1900 1.5836 1.5890 2.2990 2.3156 2.3533 2.3593 2.5481 2.5586 3.4044 3.4373 3.4834 3.4910 3.6443 3.6596 3.6690 3.6915 4.1629 4.1632 4.1675 4.1710 7.8022 7.8054 7.8352 7.8356 7.9669 7.9700 8.6385 8.6426 k = 0.5000 0.3786 0.0000 ( 4560 PWs) bands (ev): -7.7272 -7.7272 -7.4531 -7.4531 -6.9438 -6.9438 -6.9433 -6.9433 -3.0948 -3.0948 -3.0511 -3.0511 -2.4728 -2.4728 -2.3942 -2.3942 -2.3897 -2.3897 -0.2622 -0.2622 0.1891 0.1891 1.5908 1.5908 2.3069 2.3069 2.3561 2.3561 2.5535 2.5535 3.4290 3.4290 3.4885 3.4885 3.6609 3.6609 3.6648 3.6648 4.1651 4.1651 4.1672 4.1672 7.8016 7.8016 7.8332 7.8332 7.9647 7.9647 8.6352 8.6352 k = 0.0000 0.0000 0.8283 ( 4510 PWs) bands (ev): -7.4575 -7.4575 -7.3494 -7.3494 -7.1471 -7.1471 -7.0897 -7.0897 -3.0542 -3.0542 -3.0344 -3.0344 -2.4182 -2.4182 -2.3856 -2.3856 -2.3424 -2.3424 -0.4781 -0.4781 -0.2559 -0.2559 0.7324 0.7324 1.7287 1.7287 2.1702 2.1702 2.5470 2.5470 3.5567 3.5567 3.7522 3.7522 4.0906 4.0906 4.2526 4.2526 4.5917 4.5917 4.6748 4.6748 7.7507 7.7507 8.4605 8.4605 9.3529 9.3529 9.6502 9.6502 k = 0.0167 0.0126 0.8283 ( 4518 PWs) bands (ev): -7.4575 -7.4574 -7.3494 -7.3494 -7.1471 -7.1471 -7.0897 -7.0897 -3.0552 -3.0532 -3.0345 -3.0343 -2.4195 -2.4170 -2.3858 -2.3853 -2.3427 -2.3423 -0.4765 -0.4764 -0.2555 -0.2549 0.7263 0.7282 1.7219 1.7240 2.1757 2.1769 2.5514 2.5583 3.5548 3.5551 3.7512 3.7528 4.0894 4.0914 4.2521 4.2531 4.5885 4.5887 4.6721 4.6724 7.7548 7.7549 8.4629 8.4635 9.3508 9.3508 9.6508 9.6509 k = 0.0333 0.0252 0.8283 ( 4522 PWs) bands (ev): -7.4574 -7.4574 -7.3494 -7.3494 -7.1472 -7.1472 -7.0898 -7.0896 -3.0561 -3.0521 -3.0346 -3.0342 -2.4208 -2.4158 -2.3860 -2.3849 -2.3433 -2.3424 -0.4717 -0.4715 -0.2536 -0.2524 0.7105 0.7141 1.7044 1.7084 2.1930 2.1957 2.5711 2.5845 3.5495 3.5499 3.7498 3.7531 4.0878 4.0920 4.2516 4.2536 4.5793 4.5797 4.6644 4.6650 7.7669 7.7671 8.4708 8.4719 9.3444 9.3445 9.6527 9.6530 k = 0.0500 0.0379 0.8283 ( 4530 PWs) bands (ev): -7.4573 -7.4573 -7.3494 -7.3493 -7.1473 -7.1473 -7.0899 -7.0896 -3.0569 -3.0511 -3.0348 -3.0342 -2.4220 -2.4146 -2.3862 -2.3845 -2.3441 -2.3428 -0.4637 -0.4633 -0.2504 -0.2486 0.6859 0.6911 1.6781 1.6839 2.2212 2.2259 2.6039 2.6232 3.5405 3.5411 3.7479 3.7530 4.0858 4.0923 4.2511 4.2540 4.5645 4.5649 4.6521 4.6529 7.7867 7.7871 8.4836 8.4853 9.3336 9.3337 9.6558 9.6563 k = 0.0667 0.0505 0.8283 ( 4526 PWs) bands (ev): -7.4572 -7.4571 -7.3494 -7.3493 -7.1475 -7.1475 -7.0900 -7.0897 -3.0577 -3.0500 -3.0349 -3.0342 -2.4233 -2.4134 -2.3864 -2.3839 -2.3451 -2.3433 -0.4527 -0.4521 -0.2459 -0.2436 0.6538 0.6604 1.6455 1.6526 2.2593 2.2662 2.6472 2.6718 3.5279 3.5287 3.7453 3.7525 4.0834 4.0926 4.2505 4.2544 4.5447 4.5448 4.6357 4.6366 7.8137 7.8143 8.5012 8.5034 9.3179 9.3181 9.6601 9.6607 k = 0.0833 0.0631 0.8283 ( 4518 PWs) bands (ev): -7.4570 -7.4569 -7.3493 -7.3492 -7.1478 -7.1477 -7.0901 -7.0897 -3.0585 -3.0489 -3.0352 -3.0342 -2.4246 -2.4122 -2.3866 -2.3832 -2.3463 -2.3439 -0.4389 -0.4380 -0.2403 -0.2374 0.6160 0.6238 1.6090 1.6172 2.3057 2.3152 2.6982 2.7277 3.5116 3.5123 3.7418 3.7513 4.0805 4.0929 4.2497 4.2547 4.5200 4.5207 4.6160 4.6170 7.8472 7.8480 8.5226 8.5255 9.2972 9.2974 9.6653 9.6661 k = 0.1000 0.0757 0.8283 ( 4514 PWs) bands (ev): -7.4569 -7.4568 -7.3493 -7.3491 -7.1480 -7.1479 -7.0902 -7.0897 -3.0591 -3.0478 -3.0354 -3.0342 -2.4259 -2.4110 -2.3869 -2.3824 -2.3477 -2.3447 -0.4224 -0.4212 -0.2339 -0.2305 0.5740 0.5828 1.5707 1.5798 2.3588 2.3710 2.7544 2.7886 3.4913 3.4920 3.7372 3.7496 4.0771 4.0934 4.2486 4.2546 4.4915 4.4936 4.5939 4.5948 7.8863 7.8874 8.5473 8.5507 9.2712 9.2714 9.6712 9.6722 k = 0.1167 0.0883 0.8283 ( 4506 PWs) bands (ev): -7.4567 -7.4566 -7.3493 -7.3490 -7.1483 -7.1481 -7.0903 -7.0898 -3.0597 -3.0468 -3.0357 -3.0342 -2.4271 -2.4098 -2.3871 -2.3814 -2.3492 -2.3456 -0.4037 -0.4022 -0.2269 -0.2229 0.5294 0.5392 1.5326 1.5422 2.4170 2.4320 2.8136 2.8526 3.4671 3.4676 3.7312 3.7469 4.0732 4.0943 4.2469 4.2539 4.4606 4.4648 4.5704 4.5710 7.9299 7.9314 8.5742 8.5781 9.2402 9.2403 9.6777 9.6788 k = 0.1333 0.1010 0.8283 ( 4506 PWs) bands (ev): -7.4565 -7.4563 -7.3492 -7.3490 -7.1485 -7.1484 -7.0904 -7.0898 -3.0603 -3.0457 -3.0361 -3.0343 -2.4283 -2.4086 -2.3874 -2.3803 -2.3509 -2.3465 -0.3832 -0.3812 -0.2196 -0.2150 0.4838 0.4944 1.4959 1.5060 2.4784 2.4966 2.8739 2.9180 3.4390 3.4393 3.7233 3.7433 4.0689 4.0957 4.2445 4.2521 4.4288 4.4359 4.5464 4.5467 7.9767 7.9787 8.6023 8.6066 9.2046 9.2047 9.6843 9.6855 k = 0.1500 0.1136 0.8283 ( 4514 PWs) bands (ev): -7.4563 -7.4561 -7.3491 -7.3489 -7.1488 -7.1486 -7.0905 -7.0899 -3.0607 -3.0447 -3.0364 -3.0343 -2.4293 -2.4074 -2.3878 -2.3791 -2.3526 -2.3474 -0.3616 -0.3590 -0.2123 -0.2072 0.4387 0.4501 1.4620 1.4722 2.5414 2.5632 2.9335 2.9827 3.4073 3.4074 3.7132 3.7385 4.0641 4.0981 4.2410 4.2481 4.3982 4.4087 4.5227 4.5230 8.0253 8.0279 8.6305 8.6351 9.1656 9.1658 9.6908 9.6922 k = 0.1667 0.1262 0.8283 ( 4508 PWs) bands (ev): -7.4561 -7.4559 -7.3491 -7.3488 -7.1490 -7.1489 -7.0906 -7.0899 -3.0611 -3.0437 -3.0368 -3.0344 -2.4303 -2.4063 -2.3882 -2.3778 -2.3544 -2.3483 -0.3397 -0.3363 -0.2054 -0.1996 0.3956 0.4078 1.4316 1.4421 2.6043 2.6301 2.9906 3.0448 3.3725 3.3728 3.7006 3.7327 4.0590 4.1016 4.2359 4.2405 4.3716 4.3850 4.5001 4.5011 8.0738 8.0771 8.6574 8.6621 9.1247 9.1250 9.6969 9.6985 k = 0.1833 0.1388 0.8283 ( 4504 PWs) bands (ev): -7.4559 -7.4558 -7.3491 -7.3488 -7.1493 -7.1491 -7.0907 -7.0900 -3.0614 -3.0428 -3.0373 -3.0344 -2.4311 -2.4054 -2.3886 -2.3765 -2.3561 -2.3491 -0.3186 -0.3143 -0.1992 -0.1928 0.3562 0.3691 1.4057 1.4163 2.6647 2.6955 3.0433 3.1010 3.3356 3.3377 3.6855 3.7259 4.0538 4.1067 4.2278 4.2294 4.3516 4.3664 4.4798 4.4816 8.1200 8.1241 8.6819 8.6865 9.0844 9.0847 9.7023 9.7040 k = 0.2000 0.1514 0.8283 ( 4506 PWs) bands (ev): -7.4558 -7.4556 -7.3490 -7.3487 -7.1494 -7.1492 -7.0907 -7.0900 -3.0617 -3.0419 -3.0378 -3.0344 -2.4318 -2.4045 -2.3889 -2.3752 -2.3578 -2.3497 -0.2996 -0.2943 -0.1940 -0.1869 0.3223 0.3359 1.3849 1.3955 2.7199 2.7567 3.0897 3.1456 3.2981 3.3069 3.6688 3.7187 4.0489 4.1137 4.2103 4.2222 4.3390 4.3534 4.4626 4.4653 8.1613 8.1662 8.7027 8.7069 9.0474 9.0476 9.7067 9.7085 k = 0.2167 0.1641 0.8283 ( 4496 PWs) bands (ev): -7.4557 -7.4555 -7.3490 -7.3487 -7.1496 -7.1494 -7.0908 -7.0900 -3.0618 -3.0411 -3.0383 -3.0345 -2.4323 -2.4038 -2.3892 -2.3741 -2.3592 -2.3502 -0.2843 -0.2780 -0.1900 -0.1823 0.2959 0.3101 1.3697 1.3803 2.7659 2.8098 3.1281 3.1688 3.2627 3.2903 3.6524 3.7121 4.0447 4.1232 4.1901 4.2156 4.3326 4.3453 4.4494 4.4530 8.1944 8.2002 8.7186 8.7222 9.0171 9.0172 9.7100 9.7119 k = 0.2333 0.1767 0.8283 ( 4500 PWs) bands (ev): -7.4557 -7.4555 -7.3490 -7.3487 -7.1497 -7.1495 -7.0908 -7.0900 -3.0619 -3.0403 -3.0389 -3.0345 -2.4326 -2.4034 -2.3894 -2.3732 -2.3602 -2.3506 -0.2743 -0.2673 -0.1876 -0.1794 0.2790 0.2937 1.3604 1.3710 2.7975 2.8481 3.1569 3.1683 3.2333 3.2918 3.6398 3.7074 4.0419 4.1353 4.1701 4.2109 4.3299 4.3411 4.4410 4.4453 8.2161 8.2225 8.7287 8.7317 8.9968 8.9972 9.7120 9.7140 k = 0.2500 0.1893 0.8283 ( 4492 PWs) bands (ev): -7.4556 -7.4554 -7.3490 -7.3487 -7.1497 -7.1495 -7.0908 -7.0900 -3.0620 -3.0398 -3.0395 -3.0345 -2.4327 -2.4033 -2.3895 -2.3729 -2.3606 -2.3507 -0.2708 -0.2635 -0.1868 -0.1784 0.2731 0.2880 1.3572 1.3678 2.8089 2.8626 3.1640 3.1703 3.2191 3.2954 3.6349 3.7057 4.0409 4.1469 4.1557 4.2093 4.3292 4.3398 4.4381 4.4427 8.2237 8.2303 8.7322 8.7349 8.9896 8.9902 9.7127 9.7147 Writing output data file Al2CdSe4.save init_run : 4.03s CPU 11.55s WALL ( 1 calls) electrons : 911.16s CPU 920.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.55s CPU 2.02s WALL ( 1 calls) Called by electrons: c_bands : 911.13s CPU 919.91s WALL ( 1 calls) v_of_rho : 0.20s CPU 1.13s WALL ( 1 calls) v_h : 0.01s CPU 0.17s WALL ( 1 calls) v_xc : 0.19s CPU 0.67s WALL ( 1 calls) newd : 0.74s CPU 1.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.21s WALL ( 276 calls) cegterg : 867.58s CPU 873.34s WALL ( 780 calls) Called by sum_band: Called by *egterg: h_psi : 510.46s CPU 520.37s WALL ( 14670 calls) s_psi : 24.97s CPU 25.62s WALL ( 14670 calls) g_psi : 0.69s CPU 0.67s WALL ( 13614 calls) cdiaghg : 256.65s CPU 253.72s WALL ( 13890 calls) cegterg:over : 52.81s CPU 49.51s WALL ( 13614 calls) cegterg:upda : 10.66s CPU 14.68s WALL ( 13614 calls) cegterg:last : 8.94s CPU 9.65s WALL ( 1968 calls) Called by h_psi: h_psi:vloc : 452.79s CPU 461.17s WALL ( 14670 calls) h_psi:vnl : 57.30s CPU 58.31s WALL ( 14670 calls) add_vuspsi : 17.14s CPU 21.93s WALL ( 14670 calls) General routines calbec : 40.07s CPU 36.15s WALL ( 14670 calls) fft : 0.28s CPU 0.96s WALL ( 19 calls) ffts : 0.02s CPU 0.27s WALL ( 4 calls) fftw : 357.49s CPU 357.51s WALL ( 1153524 calls) interpolate : 0.09s CPU 0.34s WALL ( 4 calls) davcio : 0.02s CPU 0.84s WALL ( 552 calls) Parallel routines fft_scatter : 200.34s CPU 199.81s WALL ( 1153547 calls) PWSCF : 15m58.28s CPU 17m 7.41s WALL This run was terminated on: 13: 2:16 25Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=