Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxZnGex2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 47 13 1389 754 121 Max 71 48 14 1391 767 123 Sum 2531 1697 497 50047 27317 4385 bravais-lattice index = 14 lattice parameter (alat) = 11.6938 a.u. unit-cell volume = 648.8741 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.693828 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.768571 celldm(5)= -0.768571 celldm(6)= 0.537141 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.537141 0.843492 0.000000 ) a(3) = ( -0.768571 -0.421746 0.481071 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.636806 1.039347 ) b(2) = ( 0.000000 1.185547 1.039347 ) b(3) = ( 0.000000 0.000000 2.078695 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0000000 0.0000000 0.0196103), wk = 0.0029499 k( 3) = ( 0.0000000 0.0000000 0.0392206), wk = 0.0029499 k( 4) = ( 0.0000000 0.0000000 0.0588310), wk = 0.0029499 k( 5) = ( 0.0000000 0.0000000 0.0784413), wk = 0.0029499 k( 6) = ( 0.0000000 0.0000000 0.0980516), wk = 0.0029499 k( 7) = ( 0.0000000 0.0000000 0.1176620), wk = 0.0029499 k( 8) = ( 0.0000000 0.0000000 0.1372723), wk = 0.0029499 k( 9) = ( 0.0000000 0.0000000 0.1568826), wk = 0.0029499 k( 10) = ( 0.0000000 0.0000000 0.1764930), wk = 0.0029499 k( 11) = ( 0.0000000 0.0000000 0.1961033), wk = 0.0029499 k( 12) = ( 0.0000000 0.0000000 0.2157136), wk = 0.0029499 k( 13) = ( 0.0000000 0.0000000 0.2353240), wk = 0.0029499 k( 14) = ( 0.0000000 0.0000000 0.2549343), wk = 0.0029499 k( 15) = ( 0.0000000 0.0000000 0.2745446), wk = 0.0029499 k( 16) = ( 0.0000000 0.0000000 0.2941549), wk = 0.0029499 k( 17) = ( 0.0000000 0.0000000 0.3137653), wk = 0.0029499 k( 18) = ( 0.0000000 0.0000000 0.3333756), wk = 0.0029499 k( 19) = ( 0.0000000 0.0000000 0.3529859), wk = 0.0029499 k( 20) = ( 0.0000000 0.0000000 0.3725963), wk = 0.0029499 k( 21) = ( 0.0000000 0.0000000 0.3922066), wk = 0.0029499 k( 22) = ( 0.0000000 0.0000000 0.4118169), wk = 0.0029499 k( 23) = ( 0.0000000 0.0000000 0.4314272), wk = 0.0029499 k( 24) = ( 0.0000000 0.0000000 0.4510376), wk = 0.0029499 k( 25) = ( 0.0000000 0.0000000 0.4706479), wk = 0.0029499 k( 26) = ( 0.0000000 0.0000000 0.4902582), wk = 0.0029499 k( 27) = ( 0.0000000 0.0000000 0.5098686), wk = 0.0029499 k( 28) = ( 0.0000000 0.0000000 0.5294789), wk = 0.0029499 k( 29) = ( 0.0000000 0.0000000 0.5490892), wk = 0.0029499 k( 30) = ( 0.0000000 0.0000000 0.5686996), wk = 0.0029499 k( 31) = ( 0.0000000 0.0000000 0.5883099), wk = 0.0029499 k( 32) = ( 0.0000000 0.0000000 0.6079202), wk = 0.0029499 k( 33) = ( 0.0000000 0.0000000 0.6275305), wk = 0.0029499 k( 34) = ( 0.0000000 0.0000000 0.6471409), wk = 0.0029499 k( 35) = ( 0.0000000 0.0000000 0.6667512), wk = 0.0029499 k( 36) = ( 0.0000000 0.0000000 0.6863615), wk = 0.0029499 k( 37) = ( 0.0000000 0.0000000 0.7059719), wk = 0.0029499 k( 38) = ( 0.0000000 0.0000000 0.7255822), wk = 0.0029499 k( 39) = ( 0.0000000 0.0000000 0.7451925), wk = 0.0029499 k( 40) = ( 0.0000000 0.0000000 0.7648029), wk = 0.0029499 k( 41) = ( 0.0000000 0.0000000 0.7844132), wk = 0.0029499 k( 42) = ( 0.0000000 0.0000000 0.8040235), wk = 0.0029499 k( 43) = ( 0.0000000 0.0000000 0.8236338), wk = 0.0029499 k( 44) = ( 0.0000000 0.0000000 0.8432442), wk = 0.0029499 k( 45) = ( 0.0000000 0.0000000 0.8628545), wk = 0.0029499 k( 46) = ( 0.0000000 0.0000000 0.8824648), wk = 0.0029499 k( 47) = ( 0.0000000 0.0000000 0.9020751), wk = 0.0029499 k( 48) = ( 0.0000000 0.0000000 0.9216855), wk = 0.0029499 k( 49) = ( 0.0000000 0.0000000 0.9412958), wk = 0.0029499 k( 50) = ( 0.0000000 0.0000000 0.9609061), wk = 0.0029499 k( 51) = ( 0.0000000 0.0000000 0.9805165), wk = 0.0029499 k( 52) = ( 0.0000000 0.0000000 1.0001268), wk = 0.0029499 k( 53) = ( 0.0000000 0.0000000 1.0197371), wk = 0.0029499 k( 54) = ( 0.0000000 0.0000000 1.0393475), wk = 0.0029499 k( 55) = ( 0.0000000 0.0000000 1.0393475), wk = 0.0029499 k( 56) = ( -0.0094099 0.0171481 1.0393475), wk = 0.0029499 k( 57) = ( -0.0188198 0.0342963 1.0393475), wk = 0.0029499 k( 58) = ( -0.0282297 0.0514445 1.0393475), wk = 0.0029499 k( 59) = ( -0.0376396 0.0685926 1.0393475), wk = 0.0029499 k( 60) = ( -0.0470495 0.0857408 1.0393475), wk = 0.0029499 k( 61) = ( -0.0564594 0.1028889 1.0393475), wk = 0.0029499 k( 62) = ( -0.0658693 0.1200371 1.0393475), wk = 0.0029499 k( 63) = ( -0.0752792 0.1371852 1.0393475), wk = 0.0029499 k( 64) = ( -0.0752792 0.1371852 1.0393475), wk = 0.0029499 k( 65) = ( -0.0819154 0.1492789 1.0255527), wk = 0.0029499 k( 66) = ( -0.0885517 0.1613725 1.0117579), wk = 0.0029499 k( 67) = ( -0.0951879 0.1734661 0.9979632), wk = 0.0029499 k( 68) = ( -0.1018242 0.1855597 0.9841684), wk = 0.0029499 k( 69) = ( -0.1084605 0.1976533 0.9703736), wk = 0.0029499 k( 70) = ( -0.1150967 0.2097469 0.9565789), wk = 0.0029499 k( 71) = ( -0.1217330 0.2218406 0.9427841), wk = 0.0029499 k( 72) = ( -0.1283693 0.2339342 0.9289893), wk = 0.0029499 k( 73) = ( -0.1350055 0.2460278 0.9151946), wk = 0.0029499 k( 74) = ( -0.1416418 0.2581214 0.9013998), wk = 0.0029499 k( 75) = ( -0.1482780 0.2702150 0.8876050), wk = 0.0029499 k( 76) = ( -0.1549143 0.2823086 0.8738103), wk = 0.0029499 k( 77) = ( -0.1615506 0.2944023 0.8600155), wk = 0.0029499 k( 78) = ( -0.1681868 0.3064959 0.8462207), wk = 0.0029499 k( 79) = ( -0.1748231 0.3185895 0.8324260), wk = 0.0029499 k( 80) = ( -0.1814594 0.3306831 0.8186312), wk = 0.0029499 k( 81) = ( -0.1880956 0.3427767 0.8048364), wk = 0.0029499 k( 82) = ( -0.1947319 0.3548704 0.7910417), wk = 0.0029499 k( 83) = ( -0.2013681 0.3669640 0.7772469), wk = 0.0029499 k( 84) = ( -0.2080044 0.3790576 0.7634521), wk = 0.0029499 k( 85) = ( -0.2146407 0.3911512 0.7496574), wk = 0.0029499 k( 86) = ( -0.2212769 0.4032448 0.7358626), wk = 0.0029499 k( 87) = ( -0.2279132 0.4153385 0.7220678), wk = 0.0029499 k( 88) = ( -0.2345495 0.4274321 0.7082731), wk = 0.0029499 k( 89) = ( -0.2411857 0.4395257 0.6944783), wk = 0.0029499 k( 90) = ( -0.2478220 0.4516193 0.6806835), wk = 0.0029499 k( 91) = ( -0.2544583 0.4637129 0.6668888), wk = 0.0029499 k( 92) = ( -0.2610945 0.4758065 0.6530940), wk = 0.0029499 k( 93) = ( -0.2677308 0.4879002 0.6392992), wk = 0.0029499 k( 94) = ( -0.2743671 0.4999938 0.6255045), wk = 0.0029499 k( 95) = ( -0.2810033 0.5120874 0.6117097), wk = 0.0029499 k( 96) = ( -0.2876396 0.5241810 0.5979149), wk = 0.0029499 k( 97) = ( -0.2876396 0.5241810 0.5979149), wk = 0.0029499 k( 98) = ( -0.2809503 0.5119907 0.5840099), wk = 0.0029499 k( 99) = ( -0.2742610 0.4998005 0.5701049), wk = 0.0029499 k( 100) = ( -0.2675717 0.4876102 0.5561999), wk = 0.0029499 k( 101) = ( -0.2608824 0.4754200 0.5422949), wk = 0.0029499 k( 102) = ( -0.2541931 0.4632297 0.5283899), wk = 0.0029499 k( 103) = ( -0.2475038 0.4510395 0.5144849), wk = 0.0029499 k( 104) = ( -0.2408145 0.4388492 0.5005799), wk = 0.0029499 k( 105) = ( -0.2341252 0.4266590 0.4866749), wk = 0.0029499 k( 106) = ( -0.2274359 0.4144687 0.4727699), wk = 0.0029499 k( 107) = ( -0.2207466 0.4022784 0.4588649), wk = 0.0029499 k( 108) = ( -0.2140574 0.3900882 0.4449599), wk = 0.0029499 k( 109) = ( -0.2073681 0.3778979 0.4310550), wk = 0.0029499 k( 110) = ( -0.2006788 0.3657077 0.4171499), wk = 0.0029499 k( 111) = ( -0.1939895 0.3535174 0.4032449), wk = 0.0029499 k( 112) = ( -0.1873002 0.3413272 0.3893400), wk = 0.0029499 k( 113) = ( -0.1806109 0.3291369 0.3754350), wk = 0.0029499 k( 114) = ( -0.1739216 0.3169467 0.3615299), wk = 0.0029499 k( 115) = ( -0.1672323 0.3047564 0.3476250), wk = 0.0029499 k( 116) = ( -0.1605430 0.2925661 0.3337200), wk = 0.0029499 k( 117) = ( -0.1538537 0.2803759 0.3198150), wk = 0.0029499 k( 118) = ( -0.1471644 0.2681856 0.3059100), wk = 0.0029499 k( 119) = ( -0.1404751 0.2559954 0.2920050), wk = 0.0029499 k( 120) = ( -0.1337859 0.2438051 0.2781000), wk = 0.0029499 k( 121) = ( -0.1270966 0.2316149 0.2641950), wk = 0.0029499 k( 122) = ( -0.1204073 0.2194246 0.2502900), wk = 0.0029499 k( 123) = ( -0.1137180 0.2072343 0.2363850), wk = 0.0029499 k( 124) = ( -0.1070287 0.1950441 0.2224800), wk = 0.0029499 k( 125) = ( -0.1003394 0.1828538 0.2085750), wk = 0.0029499 k( 126) = ( -0.0936501 0.1706636 0.1946700), wk = 0.0029499 k( 127) = ( -0.0869608 0.1584733 0.1807650), wk = 0.0029499 k( 128) = ( -0.0802715 0.1462831 0.1668600), wk = 0.0029499 k( 129) = ( -0.0735822 0.1340928 0.1529550), wk = 0.0029499 k( 130) = ( -0.0668929 0.1219026 0.1390500), wk = 0.0029499 k( 131) = ( -0.0602036 0.1097123 0.1251450), wk = 0.0029499 k( 132) = ( -0.0535143 0.0975220 0.1112400), wk = 0.0029499 k( 133) = ( -0.0468251 0.0853318 0.0973350), wk = 0.0029499 k( 134) = ( -0.0401357 0.0731415 0.0834300), wk = 0.0029499 k( 135) = ( -0.0334465 0.0609513 0.0695250), wk = 0.0029499 k( 136) = ( -0.0267572 0.0487610 0.0556200), wk = 0.0029499 k( 137) = ( -0.0200679 0.0365708 0.0417150), wk = 0.0029499 k( 138) = ( -0.0133786 0.0243805 0.0278100), wk = 0.0029499 k( 139) = ( -0.0066893 0.0121903 0.0139050), wk = 0.0029499 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 142) = ( 0.0172414 0.0094611 -0.0000000), wk = 0.0029499 k( 143) = ( 0.0344828 0.0189221 -0.0000000), wk = 0.0029499 k( 144) = ( 0.0517241 0.0283832 -0.0000000), wk = 0.0029499 k( 145) = ( 0.0689655 0.0378442 -0.0000000), wk = 0.0029499 k( 146) = ( 0.0862069 0.0473053 -0.0000000), wk = 0.0029499 k( 147) = ( 0.1034483 0.0567663 -0.0000000), wk = 0.0029499 k( 148) = ( 0.1206897 0.0662274 -0.0000000), wk = 0.0029499 k( 149) = ( 0.1379310 0.0756884 -0.0000000), wk = 0.0029499 k( 150) = ( 0.1551724 0.0851495 -0.0000000), wk = 0.0029499 k( 151) = ( 0.1724138 0.0946105 -0.0000000), wk = 0.0029499 k( 152) = ( 0.1896552 0.1040716 -0.0000000), wk = 0.0029499 k( 153) = ( 0.2068966 0.1135326 -0.0000000), wk = 0.0029499 k( 154) = ( 0.2241379 0.1229937 -0.0000000), wk = 0.0029499 k( 155) = ( 0.2413793 0.1324547 -0.0000000), wk = 0.0029499 k( 156) = ( 0.2586207 0.1419158 -0.0000000), wk = 0.0029499 k( 157) = ( 0.2758621 0.1513768 -0.0000000), wk = 0.0029499 k( 158) = ( 0.2931034 0.1608379 -0.0000000), wk = 0.0029499 k( 159) = ( 0.3103448 0.1702989 -0.0000000), wk = 0.0029499 k( 160) = ( 0.3275862 0.1797600 -0.0000000), wk = 0.0029499 k( 161) = ( 0.3448276 0.1892210 -0.0000000), wk = 0.0029499 k( 162) = ( 0.3620690 0.1986821 -0.0000000), wk = 0.0029499 k( 163) = ( 0.3793103 0.2081431 -0.0000000), wk = 0.0029499 k( 164) = ( 0.3965517 0.2176042 -0.0000000), wk = 0.0029499 k( 165) = ( 0.4137931 0.2270652 -0.0000000), wk = 0.0029499 k( 166) = ( 0.4310345 0.2365263 -0.0000000), wk = 0.0029499 k( 167) = ( 0.4482759 0.2459873 -0.0000000), wk = 0.0029499 k( 168) = ( 0.4655172 0.2554484 -0.0000000), wk = 0.0029499 k( 169) = ( 0.4827586 0.2649094 -0.0000000), wk = 0.0029499 k( 170) = ( 0.5000000 0.2743705 -0.0000000), wk = 0.0029499 k( 171) = ( 0.5000000 0.2743705 -0.0000000), wk = 0.0029499 k( 172) = ( 0.4933637 0.2864641 0.0137948), wk = 0.0029499 k( 173) = ( 0.4867275 0.2985577 0.0275895), wk = 0.0029499 k( 174) = ( 0.4800912 0.3106513 0.0413843), wk = 0.0029499 k( 175) = ( 0.4734549 0.3227449 0.0551791), wk = 0.0029499 k( 176) = ( 0.4668187 0.3348386 0.0689738), wk = 0.0029499 k( 177) = ( 0.4601824 0.3469322 0.0827686), wk = 0.0029499 k( 178) = ( 0.4535462 0.3590258 0.0965634), wk = 0.0029499 k( 179) = ( 0.4469099 0.3711194 0.1103581), wk = 0.0029499 k( 180) = ( 0.4402736 0.3832130 0.1241529), wk = 0.0029499 k( 181) = ( 0.4336374 0.3953066 0.1379477), wk = 0.0029499 k( 182) = ( 0.4270011 0.4074003 0.1517424), wk = 0.0029499 k( 183) = ( 0.4203648 0.4194939 0.1655372), wk = 0.0029499 k( 184) = ( 0.4137286 0.4315875 0.1793320), wk = 0.0029499 k( 185) = ( 0.4070923 0.4436811 0.1931267), wk = 0.0029499 k( 186) = ( 0.4004561 0.4557747 0.2069215), wk = 0.0029499 k( 187) = ( 0.3938198 0.4678684 0.2207163), wk = 0.0029499 k( 188) = ( 0.3871835 0.4799620 0.2345110), wk = 0.0029499 k( 189) = ( 0.3805473 0.4920556 0.2483058), wk = 0.0029499 k( 190) = ( 0.3739110 0.5041492 0.2621006), wk = 0.0029499 k( 191) = ( 0.3672747 0.5162428 0.2758953), wk = 0.0029499 k( 192) = ( 0.3606385 0.5283364 0.2896901), wk = 0.0029499 k( 193) = ( 0.3540022 0.5404301 0.3034849), wk = 0.0029499 k( 194) = ( 0.3473659 0.5525237 0.3172796), wk = 0.0029499 k( 195) = ( 0.3407297 0.5646173 0.3310744), wk = 0.0029499 k( 196) = ( 0.3340934 0.5767109 0.3448692), wk = 0.0029499 k( 197) = ( 0.3274572 0.5888045 0.3586639), wk = 0.0029499 k( 198) = ( 0.3208209 0.6008982 0.3724587), wk = 0.0029499 k( 199) = ( 0.3141846 0.6129918 0.3862535), wk = 0.0029499 k( 200) = ( 0.3075484 0.6250854 0.4000482), wk = 0.0029499 k( 201) = ( 0.3009121 0.6371790 0.4138430), wk = 0.0029499 k( 202) = ( 0.2942758 0.6492726 0.4276378), wk = 0.0029499 k( 203) = ( 0.2876396 0.6613662 0.4414325), wk = 0.0029499 k( 204) = ( 0.2876396 0.6613662 0.4414325), wk = 0.0029499 k( 205) = ( 0.2696621 0.6570792 0.4463226), wk = 0.0029499 k( 206) = ( 0.2516846 0.6527922 0.4512127), wk = 0.0029499 k( 207) = ( 0.2337072 0.6485051 0.4561027), wk = 0.0029499 k( 208) = ( 0.2157297 0.6442181 0.4609928), wk = 0.0029499 k( 209) = ( 0.1977522 0.6399310 0.4658829), wk = 0.0029499 k( 210) = ( 0.1797747 0.6356440 0.4707730), wk = 0.0029499 k( 211) = ( 0.1617973 0.6313570 0.4756631), wk = 0.0029499 k( 212) = ( 0.1438198 0.6270699 0.4805531), wk = 0.0029499 k( 213) = ( 0.1258423 0.6227829 0.4854432), wk = 0.0029499 k( 214) = ( 0.1078648 0.6184959 0.4903333), wk = 0.0029499 k( 215) = ( 0.0898874 0.6142088 0.4952234), wk = 0.0029499 k( 216) = ( 0.0719099 0.6099218 0.5001134), wk = 0.0029499 k( 217) = ( 0.0539324 0.6056347 0.5050035), wk = 0.0029499 k( 218) = ( 0.0359549 0.6013477 0.5098936), wk = 0.0029499 k( 219) = ( 0.0179775 0.5970607 0.5147837), wk = 0.0029499 k( 220) = ( 0.0000000 0.5927736 0.5196737), wk = 0.0029499 k( 221) = ( 0.0000000 0.5927736 0.5196737), wk = 0.0029499 k( 222) = ( 0.0065790 0.5807845 0.5333494), wk = 0.0029499 k( 223) = ( 0.0131579 0.5687953 0.5470250), wk = 0.0029499 k( 224) = ( 0.0197368 0.5568061 0.5607006), wk = 0.0029499 k( 225) = ( 0.0263158 0.5448170 0.5743762), wk = 0.0029499 k( 226) = ( 0.0328947 0.5328278 0.5880519), wk = 0.0029499 k( 227) = ( 0.0394737 0.5208386 0.6017275), wk = 0.0029499 k( 228) = ( 0.0460526 0.5088495 0.6154031), wk = 0.0029499 k( 229) = ( 0.0526316 0.4968603 0.6290787), wk = 0.0029499 k( 230) = ( 0.0592105 0.4848711 0.6427544), wk = 0.0029499 k( 231) = ( 0.0657895 0.4728820 0.6564300), wk = 0.0029499 k( 232) = ( 0.0723684 0.4608928 0.6701056), wk = 0.0029499 k( 233) = ( 0.0789474 0.4489036 0.6837812), wk = 0.0029499 k( 234) = ( 0.0855263 0.4369144 0.6974569), wk = 0.0029499 k( 235) = ( 0.0921053 0.4249253 0.7111325), wk = 0.0029499 k( 236) = ( 0.0986842 0.4129361 0.7248081), wk = 0.0029499 k( 237) = ( 0.1052632 0.4009469 0.7384837), wk = 0.0029499 k( 238) = ( 0.1118421 0.3889578 0.7521594), wk = 0.0029499 k( 239) = ( 0.1184210 0.3769686 0.7658350), wk = 0.0029499 k( 240) = ( 0.1250000 0.3649794 0.7795106), wk = 0.0029499 k( 241) = ( 0.1315790 0.3529903 0.7931862), wk = 0.0029499 k( 242) = ( 0.1381579 0.3410011 0.8068618), wk = 0.0029499 k( 243) = ( 0.1447368 0.3290119 0.8205375), wk = 0.0029499 k( 244) = ( 0.1513158 0.3170228 0.8342131), wk = 0.0029499 k( 245) = ( 0.1578947 0.3050336 0.8478887), wk = 0.0029499 k( 246) = ( 0.1644737 0.2930444 0.8615643), wk = 0.0029499 k( 247) = ( 0.1710526 0.2810553 0.8752400), wk = 0.0029499 k( 248) = ( 0.1776316 0.2690661 0.8889156), wk = 0.0029499 k( 249) = ( 0.1842105 0.2570769 0.9025912), wk = 0.0029499 k( 250) = ( 0.1907895 0.2450878 0.9162668), wk = 0.0029499 k( 251) = ( 0.1973684 0.2330986 0.9299425), wk = 0.0029499 k( 252) = ( 0.2039474 0.2211094 0.9436181), wk = 0.0029499 k( 253) = ( 0.2105263 0.2091202 0.9572937), wk = 0.0029499 k( 254) = ( 0.2171053 0.1971311 0.9709693), wk = 0.0029499 k( 255) = ( 0.2236842 0.1851419 0.9846450), wk = 0.0029499 k( 256) = ( 0.2302632 0.1731527 0.9983206), wk = 0.0029499 k( 257) = ( 0.2368421 0.1611636 1.0119962), wk = 0.0029499 k( 258) = ( 0.2434210 0.1491744 1.0256718), wk = 0.0029499 k( 259) = ( 0.2500000 0.1371852 1.0393475), wk = 0.0029499 k( 260) = ( 0.2500000 0.1371852 1.0393475), wk = 0.0029499 k( 261) = ( 0.2647059 0.1452550 1.0301426), wk = 0.0029499 k( 262) = ( 0.2794118 0.1533247 1.0209377), wk = 0.0029499 k( 263) = ( 0.2941177 0.1613944 1.0117329), wk = 0.0029499 k( 264) = ( 0.3088235 0.1694641 1.0025281), wk = 0.0029499 k( 265) = ( 0.3235294 0.1775338 0.9933232), wk = 0.0029499 k( 266) = ( 0.3382353 0.1856035 0.9841184), wk = 0.0029499 k( 267) = ( 0.3529412 0.1936733 0.9749136), wk = 0.0029499 k( 268) = ( 0.3676471 0.2017430 0.9657087), wk = 0.0029499 k( 269) = ( 0.3823529 0.2098127 0.9565038), wk = 0.0029499 k( 270) = ( 0.3970588 0.2178824 0.9472990), wk = 0.0029499 k( 271) = ( 0.4117647 0.2259522 0.9380941), wk = 0.0029499 k( 272) = ( 0.4264706 0.2340219 0.9288893), wk = 0.0029499 k( 273) = ( 0.4411765 0.2420916 0.9196845), wk = 0.0029499 k( 274) = ( 0.4558823 0.2501613 0.9104796), wk = 0.0029499 k( 275) = ( 0.4705882 0.2582310 0.9012748), wk = 0.0029499 k( 276) = ( 0.4852941 0.2663007 0.8920699), wk = 0.0029499 k( 277) = ( 0.5000000 0.2743705 0.8828651), wk = 0.0029499 k( 278) = ( 0.5000000 0.2743705 0.8828651), wk = 0.0029499 k( 279) = ( 0.5000000 0.2743705 0.8632459), wk = 0.0029499 k( 280) = ( 0.5000000 0.2743705 0.8436266), wk = 0.0029499 k( 281) = ( 0.5000000 0.2743705 0.8240074), wk = 0.0029499 k( 282) = ( 0.5000000 0.2743705 0.8043882), wk = 0.0029499 k( 283) = ( 0.5000000 0.2743705 0.7847689), wk = 0.0029499 k( 284) = ( 0.5000000 0.2743705 0.7651497), wk = 0.0029499 k( 285) = ( 0.5000000 0.2743705 0.7455305), wk = 0.0029499 k( 286) = ( 0.5000000 0.2743705 0.7259113), wk = 0.0029499 k( 287) = ( 0.5000000 0.2743705 0.7062921), wk = 0.0029499 k( 288) = ( 0.5000000 0.2743705 0.6866728), wk = 0.0029499 k( 289) = ( 0.5000000 0.2743705 0.6670536), wk = 0.0029499 k( 290) = ( 0.5000000 0.2743705 0.6474344), wk = 0.0029499 k( 291) = ( 0.5000000 0.2743705 0.6278152), wk = 0.0029499 k( 292) = ( 0.5000000 0.2743705 0.6081959), wk = 0.0029499 k( 293) = ( 0.5000000 0.2743705 0.5885767), wk = 0.0029499 k( 294) = ( 0.5000000 0.2743705 0.5689575), wk = 0.0029499 k( 295) = ( 0.5000000 0.2743705 0.5493383), wk = 0.0029499 k( 296) = ( 0.5000000 0.2743705 0.5297190), wk = 0.0029499 k( 297) = ( 0.5000000 0.2743705 0.5100998), wk = 0.0029499 k( 298) = ( 0.5000000 0.2743705 0.4904806), wk = 0.0029499 k( 299) = ( 0.5000000 0.2743705 0.4708614), wk = 0.0029499 k( 300) = ( 0.5000000 0.2743705 0.4512421), wk = 0.0029499 k( 301) = ( 0.5000000 0.2743705 0.4316229), wk = 0.0029499 k( 302) = ( 0.5000000 0.2743705 0.4120037), wk = 0.0029499 k( 303) = ( 0.5000000 0.2743705 0.3923845), wk = 0.0029499 k( 304) = ( 0.5000000 0.2743705 0.3727653), wk = 0.0029499 k( 305) = ( 0.5000000 0.2743705 0.3531460), wk = 0.0029499 k( 306) = ( 0.5000000 0.2743705 0.3335268), wk = 0.0029499 k( 307) = ( 0.5000000 0.2743705 0.3139076), wk = 0.0029499 k( 308) = ( 0.5000000 0.2743705 0.2942884), wk = 0.0029499 k( 309) = ( 0.5000000 0.2743705 0.2746691), wk = 0.0029499 k( 310) = ( 0.5000000 0.2743705 0.2550499), wk = 0.0029499 k( 311) = ( 0.5000000 0.2743705 0.2354307), wk = 0.0029499 k( 312) = ( 0.5000000 0.2743705 0.2158115), wk = 0.0029499 k( 313) = ( 0.5000000 0.2743705 0.1961922), wk = 0.0029499 k( 314) = ( 0.5000000 0.2743705 0.1765730), wk = 0.0029499 k( 315) = ( 0.5000000 0.2743705 0.1569538), wk = 0.0029499 k( 316) = ( 0.5000000 0.2743705 0.1373346), wk = 0.0029499 k( 317) = ( 0.5000000 0.2743705 0.1177154), wk = 0.0029499 k( 318) = ( 0.5000000 0.2743705 0.0980961), wk = 0.0029499 k( 319) = ( 0.5000000 0.2743705 0.0784769), wk = 0.0029499 k( 320) = ( 0.5000000 0.2743705 0.0588577), wk = 0.0029499 k( 321) = ( 0.5000000 0.2743705 0.0392384), wk = 0.0029499 k( 322) = ( 0.5000000 0.2743705 0.0196192), wk = 0.0029499 k( 323) = ( 0.5000000 0.2743705 -0.0000000), wk = 0.0029499 k( 324) = ( 0.0000000 0.0000000 1.0393475), wk = 0.0029499 k( 325) = ( 0.0166667 0.0091457 1.0393475), wk = 0.0029499 k( 326) = ( 0.0333333 0.0182914 1.0393475), wk = 0.0029499 k( 327) = ( 0.0500000 0.0274370 1.0393475), wk = 0.0029499 k( 328) = ( 0.0666667 0.0365827 1.0393475), wk = 0.0029499 k( 329) = ( 0.0833333 0.0457284 1.0393475), wk = 0.0029499 k( 330) = ( 0.1000000 0.0548741 1.0393475), wk = 0.0029499 k( 331) = ( 0.1166667 0.0640198 1.0393475), wk = 0.0029499 k( 332) = ( 0.1333333 0.0731655 1.0393475), wk = 0.0029499 k( 333) = ( 0.1500000 0.0823111 1.0393475), wk = 0.0029499 k( 334) = ( 0.1666667 0.0914568 1.0393475), wk = 0.0029499 k( 335) = ( 0.1833333 0.1006025 1.0393475), wk = 0.0029499 k( 336) = ( 0.2000000 0.1097482 1.0393475), wk = 0.0029499 k( 337) = ( 0.2166667 0.1188939 1.0393475), wk = 0.0029499 k( 338) = ( 0.2333333 0.1280395 1.0393475), wk = 0.0029499 k( 339) = ( 0.2500000 0.1371852 1.0393475), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0029499 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0029499 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0029499 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0029499 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0029499 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0029499 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0029499 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0029499 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0029499 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0029499 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0029499 k( 13) = ( 0.0000000 0.0000000 0.1132075), wk = 0.0029499 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0029499 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0029499 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0029499 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0029499 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0029499 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0029499 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0029499 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0029499 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0029499 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0029499 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0029499 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0029499 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0029499 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0029499 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0029499 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0029499 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0029499 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0029499 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0029499 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0029499 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0029499 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0029499 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0029499 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0029499 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0029499 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0029499 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0029499 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0029499 k( 42) = ( 0.0000000 0.0000000 0.3867924), wk = 0.0029499 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0029499 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0029499 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0029499 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0029499 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0029499 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0029499 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0029499 k( 50) = ( 0.0000000 0.0000000 0.4622641), wk = 0.0029499 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0029499 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0029499 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0029499 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 56) = ( -0.0094099 0.0094099 0.5000000), wk = 0.0029499 k( 57) = ( -0.0188198 0.0188198 0.5000000), wk = 0.0029499 k( 58) = ( -0.0282297 0.0282297 0.5000000), wk = 0.0029499 k( 59) = ( -0.0376396 0.0376396 0.5000000), wk = 0.0029499 k( 60) = ( -0.0470495 0.0470495 0.5000000), wk = 0.0029499 k( 61) = ( -0.0564594 0.0564594 0.5000000), wk = 0.0029499 k( 62) = ( -0.0658693 0.0658693 0.5000000), wk = 0.0029499 k( 63) = ( -0.0752792 0.0752791 0.5000000), wk = 0.0029499 k( 64) = ( -0.0752792 0.0752791 0.5000000), wk = 0.0029499 k( 65) = ( -0.0819154 0.0819154 0.4933637), wk = 0.0029499 k( 66) = ( -0.0885517 0.0885517 0.4867275), wk = 0.0029499 k( 67) = ( -0.0951879 0.0951879 0.4800912), wk = 0.0029499 k( 68) = ( -0.1018242 0.1018242 0.4734549), wk = 0.0029499 k( 69) = ( -0.1084605 0.1084605 0.4668187), wk = 0.0029499 k( 70) = ( -0.1150967 0.1150967 0.4601824), wk = 0.0029499 k( 71) = ( -0.1217330 0.1217330 0.4535462), wk = 0.0029499 k( 72) = ( -0.1283693 0.1283693 0.4469099), wk = 0.0029499 k( 73) = ( -0.1350055 0.1350055 0.4402736), wk = 0.0029499 k( 74) = ( -0.1416418 0.1416418 0.4336374), wk = 0.0029499 k( 75) = ( -0.1482780 0.1482780 0.4270011), wk = 0.0029499 k( 76) = ( -0.1549143 0.1549143 0.4203648), wk = 0.0029499 k( 77) = ( -0.1615506 0.1615506 0.4137286), wk = 0.0029499 k( 78) = ( -0.1681868 0.1681868 0.4070923), wk = 0.0029499 k( 79) = ( -0.1748231 0.1748231 0.4004560), wk = 0.0029499 k( 80) = ( -0.1814594 0.1814594 0.3938198), wk = 0.0029499 k( 81) = ( -0.1880956 0.1880956 0.3871835), wk = 0.0029499 k( 82) = ( -0.1947319 0.1947319 0.3805473), wk = 0.0029499 k( 83) = ( -0.2013681 0.2013681 0.3739110), wk = 0.0029499 k( 84) = ( -0.2080044 0.2080044 0.3672747), wk = 0.0029499 k( 85) = ( -0.2146407 0.2146407 0.3606385), wk = 0.0029499 k( 86) = ( -0.2212769 0.2212769 0.3540022), wk = 0.0029499 k( 87) = ( -0.2279132 0.2279132 0.3473659), wk = 0.0029499 k( 88) = ( -0.2345495 0.2345495 0.3407297), wk = 0.0029499 k( 89) = ( -0.2411857 0.2411857 0.3340934), wk = 0.0029499 k( 90) = ( -0.2478220 0.2478220 0.3274572), wk = 0.0029499 k( 91) = ( -0.2544583 0.2544583 0.3208209), wk = 0.0029499 k( 92) = ( -0.2610945 0.2610945 0.3141846), wk = 0.0029499 k( 93) = ( -0.2677308 0.2677308 0.3075484), wk = 0.0029499 k( 94) = ( -0.2743671 0.2743671 0.3009121), wk = 0.0029499 k( 95) = ( -0.2810033 0.2810033 0.2942758), wk = 0.0029499 k( 96) = ( -0.2876396 0.2876396 0.2876396), wk = 0.0029499 k( 97) = ( -0.2876396 0.2876396 0.2876396), wk = 0.0029499 k( 98) = ( -0.2809503 0.2809503 0.2809503), wk = 0.0029499 k( 99) = ( -0.2742610 0.2742610 0.2742610), wk = 0.0029499 k( 100) = ( -0.2675717 0.2675717 0.2675717), wk = 0.0029499 k( 101) = ( -0.2608824 0.2608824 0.2608824), wk = 0.0029499 k( 102) = ( -0.2541931 0.2541931 0.2541931), wk = 0.0029499 k( 103) = ( -0.2475038 0.2475038 0.2475038), wk = 0.0029499 k( 104) = ( -0.2408145 0.2408145 0.2408145), wk = 0.0029499 k( 105) = ( -0.2341252 0.2341252 0.2341252), wk = 0.0029499 k( 106) = ( -0.2274359 0.2274359 0.2274359), wk = 0.0029499 k( 107) = ( -0.2207466 0.2207466 0.2207466), wk = 0.0029499 k( 108) = ( -0.2140574 0.2140574 0.2140574), wk = 0.0029499 k( 109) = ( -0.2073681 0.2073681 0.2073681), wk = 0.0029499 k( 110) = ( -0.2006788 0.2006788 0.2006788), wk = 0.0029499 k( 111) = ( -0.1939895 0.1939895 0.1939895), wk = 0.0029499 k( 112) = ( -0.1873002 0.1873002 0.1873002), wk = 0.0029499 k( 113) = ( -0.1806109 0.1806109 0.1806109), wk = 0.0029499 k( 114) = ( -0.1739216 0.1739216 0.1739216), wk = 0.0029499 k( 115) = ( -0.1672323 0.1672323 0.1672323), wk = 0.0029499 k( 116) = ( -0.1605430 0.1605430 0.1605430), wk = 0.0029499 k( 117) = ( -0.1538537 0.1538537 0.1538537), wk = 0.0029499 k( 118) = ( -0.1471644 0.1471644 0.1471644), wk = 0.0029499 k( 119) = ( -0.1404751 0.1404751 0.1404751), wk = 0.0029499 k( 120) = ( -0.1337859 0.1337859 0.1337858), wk = 0.0029499 k( 121) = ( -0.1270966 0.1270966 0.1270966), wk = 0.0029499 k( 122) = ( -0.1204073 0.1204073 0.1204073), wk = 0.0029499 k( 123) = ( -0.1137180 0.1137180 0.1137180), wk = 0.0029499 k( 124) = ( -0.1070287 0.1070287 0.1070287), wk = 0.0029499 k( 125) = ( -0.1003394 0.1003394 0.1003394), wk = 0.0029499 k( 126) = ( -0.0936501 0.0936501 0.0936501), wk = 0.0029499 k( 127) = ( -0.0869608 0.0869608 0.0869608), wk = 0.0029499 k( 128) = ( -0.0802715 0.0802715 0.0802715), wk = 0.0029499 k( 129) = ( -0.0735822 0.0735822 0.0735822), wk = 0.0029499 k( 130) = ( -0.0668929 0.0668929 0.0668929), wk = 0.0029499 k( 131) = ( -0.0602036 0.0602036 0.0602036), wk = 0.0029499 k( 132) = ( -0.0535143 0.0535143 0.0535143), wk = 0.0029499 k( 133) = ( -0.0468251 0.0468250 0.0468250), wk = 0.0029499 k( 134) = ( -0.0401357 0.0401357 0.0401357), wk = 0.0029499 k( 135) = ( -0.0334465 0.0334465 0.0334465), wk = 0.0029499 k( 136) = ( -0.0267572 0.0267572 0.0267572), wk = 0.0029499 k( 137) = ( -0.0200679 0.0200679 0.0200679), wk = 0.0029499 k( 138) = ( -0.0133786 0.0133786 0.0133786), wk = 0.0029499 k( 139) = ( -0.0066893 0.0066893 0.0066893), wk = 0.0029499 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 142) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0029499 k( 143) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0029499 k( 144) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0029499 k( 145) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0029499 k( 146) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0029499 k( 147) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0029499 k( 148) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0029499 k( 149) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0029499 k( 150) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0029499 k( 151) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0029499 k( 152) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0029499 k( 153) = ( 0.2068966 0.2068965 -0.2068965), wk = 0.0029499 k( 154) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0029499 k( 155) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0029499 k( 156) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0029499 k( 157) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0029499 k( 158) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0029499 k( 159) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0029499 k( 160) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0029499 k( 161) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0029499 k( 162) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0029499 k( 163) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0029499 k( 164) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0029499 k( 165) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0029499 k( 166) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0029499 k( 167) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0029499 k( 168) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0029499 k( 169) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0029499 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029499 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029499 k( 172) = ( 0.4933637 0.5066363 -0.4933637), wk = 0.0029499 k( 173) = ( 0.4867275 0.5132725 -0.4867275), wk = 0.0029499 k( 174) = ( 0.4800912 0.5199088 -0.4800912), wk = 0.0029499 k( 175) = ( 0.4734549 0.5265450 -0.4734549), wk = 0.0029499 k( 176) = ( 0.4668187 0.5331813 -0.4668187), wk = 0.0029499 k( 177) = ( 0.4601824 0.5398176 -0.4601824), wk = 0.0029499 k( 178) = ( 0.4535462 0.5464538 -0.4535462), wk = 0.0029499 k( 179) = ( 0.4469099 0.5530901 -0.4469099), wk = 0.0029499 k( 180) = ( 0.4402736 0.5597264 -0.4402736), wk = 0.0029499 k( 181) = ( 0.4336374 0.5663626 -0.4336374), wk = 0.0029499 k( 182) = ( 0.4270011 0.5729989 -0.4270011), wk = 0.0029499 k( 183) = ( 0.4203648 0.5796352 -0.4203648), wk = 0.0029499 k( 184) = ( 0.4137286 0.5862714 -0.4137286), wk = 0.0029499 k( 185) = ( 0.4070923 0.5929077 -0.4070923), wk = 0.0029499 k( 186) = ( 0.4004561 0.5995440 -0.4004560), wk = 0.0029499 k( 187) = ( 0.3938198 0.6061802 -0.3938198), wk = 0.0029499 k( 188) = ( 0.3871835 0.6128165 -0.3871835), wk = 0.0029499 k( 189) = ( 0.3805473 0.6194527 -0.3805473), wk = 0.0029499 k( 190) = ( 0.3739110 0.6260890 -0.3739110), wk = 0.0029499 k( 191) = ( 0.3672747 0.6327253 -0.3672747), wk = 0.0029499 k( 192) = ( 0.3606385 0.6393615 -0.3606385), wk = 0.0029499 k( 193) = ( 0.3540022 0.6459978 -0.3540022), wk = 0.0029499 k( 194) = ( 0.3473659 0.6526340 -0.3473659), wk = 0.0029499 k( 195) = ( 0.3407297 0.6592703 -0.3407297), wk = 0.0029499 k( 196) = ( 0.3340934 0.6659066 -0.3340934), wk = 0.0029499 k( 197) = ( 0.3274572 0.6725428 -0.3274572), wk = 0.0029499 k( 198) = ( 0.3208209 0.6791791 -0.3208209), wk = 0.0029499 k( 199) = ( 0.3141846 0.6858154 -0.3141846), wk = 0.0029499 k( 200) = ( 0.3075484 0.6924516 -0.3075484), wk = 0.0029499 k( 201) = ( 0.3009121 0.6990879 -0.3009121), wk = 0.0029499 k( 202) = ( 0.2942758 0.7057242 -0.2942758), wk = 0.0029499 k( 203) = ( 0.2876396 0.7123604 -0.2876396), wk = 0.0029499 k( 204) = ( 0.2876396 0.7123604 -0.2876396), wk = 0.0029499 k( 205) = ( 0.2696621 0.6990879 -0.2696621), wk = 0.0029499 k( 206) = ( 0.2516846 0.6858154 -0.2516846), wk = 0.0029499 k( 207) = ( 0.2337072 0.6725428 -0.2337072), wk = 0.0029499 k( 208) = ( 0.2157297 0.6592703 -0.2157297), wk = 0.0029499 k( 209) = ( 0.1977522 0.6459978 -0.1977522), wk = 0.0029499 k( 210) = ( 0.1797747 0.6327253 -0.1797747), wk = 0.0029499 k( 211) = ( 0.1617973 0.6194527 -0.1617973), wk = 0.0029499 k( 212) = ( 0.1438198 0.6061802 -0.1438198), wk = 0.0029499 k( 213) = ( 0.1258423 0.5929077 -0.1258423), wk = 0.0029499 k( 214) = ( 0.1078648 0.5796352 -0.1078648), wk = 0.0029499 k( 215) = ( 0.0898874 0.5663626 -0.0898874), wk = 0.0029499 k( 216) = ( 0.0719099 0.5530901 -0.0719099), wk = 0.0029499 k( 217) = ( 0.0539324 0.5398176 -0.0539324), wk = 0.0029499 k( 218) = ( 0.0359549 0.5265450 -0.0359549), wk = 0.0029499 k( 219) = ( 0.0179775 0.5132725 -0.0179775), wk = 0.0029499 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 221) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 222) = ( 0.0065790 0.4934210 0.0065790), wk = 0.0029499 k( 223) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0029499 k( 224) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0029499 k( 225) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0029499 k( 226) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0029499 k( 227) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0029499 k( 228) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0029499 k( 229) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0029499 k( 230) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0029499 k( 231) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0029499 k( 232) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0029499 k( 233) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0029499 k( 234) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0029499 k( 235) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0029499 k( 236) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0029499 k( 237) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0029499 k( 238) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0029499 k( 239) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0029499 k( 240) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029499 k( 241) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0029499 k( 242) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0029499 k( 243) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0029499 k( 244) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0029499 k( 245) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0029499 k( 246) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0029499 k( 247) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0029499 k( 248) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0029499 k( 249) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0029499 k( 250) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0029499 k( 251) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0029499 k( 252) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0029499 k( 253) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0029499 k( 254) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0029499 k( 255) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0029499 k( 256) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0029499 k( 257) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0029499 k( 258) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0029499 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 261) = ( 0.2647059 0.2647059 0.2308659), wk = 0.0029499 k( 262) = ( 0.2794118 0.2794118 0.2117319), wk = 0.0029499 k( 263) = ( 0.2941177 0.2941177 0.1925978), wk = 0.0029499 k( 264) = ( 0.3088235 0.3088235 0.1734637), wk = 0.0029499 k( 265) = ( 0.3235294 0.3235294 0.1543297), wk = 0.0029499 k( 266) = ( 0.3382353 0.3382353 0.1351956), wk = 0.0029499 k( 267) = ( 0.3529412 0.3529412 0.1160615), wk = 0.0029499 k( 268) = ( 0.3676471 0.3676471 0.0969275), wk = 0.0029499 k( 269) = ( 0.3823529 0.3823529 0.0777934), wk = 0.0029499 k( 270) = ( 0.3970588 0.3970588 0.0586593), wk = 0.0029499 k( 271) = ( 0.4117647 0.4117647 0.0395252), wk = 0.0029499 k( 272) = ( 0.4264706 0.4264706 0.0203912), wk = 0.0029499 k( 273) = ( 0.4411765 0.4411765 0.0012571), wk = 0.0029499 k( 274) = ( 0.4558823 0.4558823 -0.0178770), wk = 0.0029499 k( 275) = ( 0.4705882 0.4705882 -0.0370110), wk = 0.0029499 k( 276) = ( 0.4852941 0.4852941 -0.0561451), wk = 0.0029499 k( 277) = ( 0.5000000 0.5000000 -0.0752792), wk = 0.0029499 k( 278) = ( 0.5000000 0.5000000 -0.0752792), wk = 0.0029499 k( 279) = ( 0.5000000 0.5000000 -0.0847174), wk = 0.0029499 k( 280) = ( 0.5000000 0.5000000 -0.0941556), wk = 0.0029499 k( 281) = ( 0.5000000 0.5000000 -0.1035939), wk = 0.0029499 k( 282) = ( 0.5000000 0.5000000 -0.1130321), wk = 0.0029499 k( 283) = ( 0.5000000 0.5000000 -0.1224704), wk = 0.0029499 k( 284) = ( 0.5000000 0.5000000 -0.1319086), wk = 0.0029499 k( 285) = ( 0.5000000 0.5000000 -0.1413468), wk = 0.0029499 k( 286) = ( 0.5000000 0.5000000 -0.1507851), wk = 0.0029499 k( 287) = ( 0.5000000 0.5000000 -0.1602233), wk = 0.0029499 k( 288) = ( 0.5000000 0.5000000 -0.1696616), wk = 0.0029499 k( 289) = ( 0.5000000 0.5000000 -0.1790998), wk = 0.0029499 k( 290) = ( 0.5000000 0.5000000 -0.1885380), wk = 0.0029499 k( 291) = ( 0.5000000 0.5000000 -0.1979763), wk = 0.0029499 k( 292) = ( 0.5000000 0.5000000 -0.2074145), wk = 0.0029499 k( 293) = ( 0.5000000 0.5000000 -0.2168528), wk = 0.0029499 k( 294) = ( 0.5000000 0.5000000 -0.2262910), wk = 0.0029499 k( 295) = ( 0.5000000 0.5000000 -0.2357293), wk = 0.0029499 k( 296) = ( 0.5000000 0.5000000 -0.2451675), wk = 0.0029499 k( 297) = ( 0.5000000 0.5000000 -0.2546057), wk = 0.0029499 k( 298) = ( 0.5000000 0.5000000 -0.2640440), wk = 0.0029499 k( 299) = ( 0.5000000 0.5000000 -0.2734822), wk = 0.0029499 k( 300) = ( 0.5000000 0.5000000 -0.2829205), wk = 0.0029499 k( 301) = ( 0.5000000 0.5000000 -0.2923587), wk = 0.0029499 k( 302) = ( 0.5000000 0.5000000 -0.3017969), wk = 0.0029499 k( 303) = ( 0.5000000 0.5000000 -0.3112352), wk = 0.0029499 k( 304) = ( 0.5000000 0.5000000 -0.3206734), wk = 0.0029499 k( 305) = ( 0.5000000 0.5000000 -0.3301117), wk = 0.0029499 k( 306) = ( 0.5000000 0.5000000 -0.3395499), wk = 0.0029499 k( 307) = ( 0.5000000 0.5000000 -0.3489881), wk = 0.0029499 k( 308) = ( 0.5000000 0.5000000 -0.3584264), wk = 0.0029499 k( 309) = ( 0.5000000 0.5000000 -0.3678646), wk = 0.0029499 k( 310) = ( 0.5000000 0.5000000 -0.3773029), wk = 0.0029499 k( 311) = ( 0.5000000 0.5000000 -0.3867411), wk = 0.0029499 k( 312) = ( 0.5000000 0.5000000 -0.3961793), wk = 0.0029499 k( 313) = ( 0.5000000 0.5000000 -0.4056176), wk = 0.0029499 k( 314) = ( 0.5000000 0.5000000 -0.4150558), wk = 0.0029499 k( 315) = ( 0.5000000 0.5000000 -0.4244941), wk = 0.0029499 k( 316) = ( 0.5000000 0.5000000 -0.4339323), wk = 0.0029499 k( 317) = ( 0.5000000 0.5000000 -0.4433705), wk = 0.0029499 k( 318) = ( 0.5000000 0.5000000 -0.4528088), wk = 0.0029499 k( 319) = ( 0.5000000 0.5000000 -0.4622470), wk = 0.0029499 k( 320) = ( 0.5000000 0.5000000 -0.4716853), wk = 0.0029499 k( 321) = ( 0.5000000 0.5000000 -0.4811235), wk = 0.0029499 k( 322) = ( 0.5000000 0.5000000 -0.4905618), wk = 0.0029499 k( 323) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029499 k( 324) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 325) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0029499 k( 326) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0029499 k( 327) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0029499 k( 328) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0029499 k( 329) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029499 k( 330) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0029499 k( 331) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0029499 k( 332) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0029499 k( 333) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0029499 k( 334) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029499 k( 335) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0029499 k( 336) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0029499 k( 337) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0029499 k( 338) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0029499 k( 339) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 Dense grid: 50047 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 27317 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 196, 50) NL pseudopotentials 0.19 Mb ( 98, 130) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1390) G-vector shells 0.00 Mb ( 608) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 196, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 130, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxZnGex2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.8 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 17.0 secs Computing kpt #: 25 total cpu time spent up to now is 17.7 secs Computing kpt #: 26 total cpu time spent up to now is 18.3 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.7 secs Computing kpt #: 29 total cpu time spent up to now is 20.5 secs Computing kpt #: 30 total cpu time spent up to now is 21.5 secs Computing kpt #: 31 total cpu time spent up to now is 22.6 secs Computing kpt #: 32 total cpu time spent up to now is 23.3 secs Computing kpt #: 33 total cpu time spent up to now is 24.0 secs Computing kpt #: 34 total cpu time spent up to now is 24.9 secs Computing kpt #: 35 total cpu time spent up to now is 25.5 secs Computing kpt #: 36 total cpu time spent up to now is 26.1 secs Computing kpt #: 37 total cpu time spent up to now is 26.7 secs Computing kpt #: 38 total cpu time spent up to now is 27.3 secs Computing kpt #: 39 total cpu time spent up to now is 27.9 secs Computing kpt #: 40 total cpu time spent up to now is 28.4 secs Computing kpt #: 41 total cpu time spent up to now is 29.0 secs Computing kpt #: 42 total cpu time spent up to now is 29.6 secs Computing kpt #: 43 total cpu time spent up to now is 30.1 secs Computing kpt #: 44 total cpu time spent up to now is 30.7 secs Computing kpt #: 45 total cpu time spent up to now is 31.3 secs Computing kpt #: 46 total cpu time spent up to now is 31.9 secs Computing kpt #: 47 total cpu time spent up to now is 32.5 secs Computing kpt #: 48 total cpu time spent up to now is 33.1 secs Computing kpt #: 49 total cpu time spent up to now is 33.6 secs Computing kpt #: 50 total cpu time spent up to now is 34.2 secs Computing kpt #: 51 total cpu time spent up to now is 34.8 secs Computing kpt #: 52 total cpu time spent up to now is 35.4 secs Computing kpt #: 53 total cpu time spent up to now is 36.0 secs Computing kpt #: 54 total cpu time spent up to now is 36.6 secs Computing kpt #: 55 total cpu time spent up to now is 37.2 secs Computing kpt #: 56 total cpu time spent up to now is 37.8 secs Computing kpt #: 57 total cpu time spent up to now is 38.3 secs Computing kpt #: 58 total cpu time spent up to now is 38.9 secs Computing kpt #: 59 total cpu time spent up to now is 39.5 secs Computing kpt #: 60 total cpu time spent up to now is 40.1 secs Computing kpt #: 61 total cpu time spent up to now is 40.6 secs Computing kpt #: 62 total cpu time spent up to now is 41.2 secs Computing kpt #: 63 total cpu time spent up to now is 41.9 secs Computing kpt #: 64 total cpu time spent up to now is 42.5 secs Computing kpt #: 65 total cpu time spent up to now is 43.4 secs Computing kpt #: 66 total cpu time spent up to now is 44.0 secs Computing kpt #: 67 total cpu time spent up to now is 44.9 secs Computing kpt #: 68 total cpu time spent up to now is 45.8 secs Computing kpt #: 69 total cpu time spent up to now is 46.5 secs Computing kpt #: 70 total cpu time spent up to now is 47.4 secs Computing kpt #: 71 total cpu time spent up to now is 48.5 secs Computing kpt #: 72 total cpu time spent up to now is 49.6 secs Computing kpt #: 73 total cpu time spent up to now is 50.7 secs Computing kpt #: 74 total cpu time spent up to now is 51.7 secs Computing kpt #: 75 total cpu time spent up to now is 52.6 secs Computing kpt #: 76 total cpu time spent up to now is 53.5 secs Computing kpt #: 77 total cpu time spent up to now is 54.4 secs Computing kpt #: 78 total cpu time spent up to now is 55.3 secs Computing kpt #: 79 total cpu time spent up to now is 56.1 secs Computing kpt #: 80 total cpu time spent up to now is 56.8 secs Computing kpt #: 81 total cpu time spent up to now is 57.7 secs Computing kpt #: 82 total cpu time spent up to now is 58.4 secs Computing kpt #: 83 total cpu time spent up to now is 59.2 secs Computing kpt #: 84 total cpu time spent up to now is 59.9 secs Computing kpt #: 85 total cpu time spent up to now is 60.8 secs Computing kpt #: 86 total cpu time spent up to now is 61.5 secs Computing kpt #: 87 total cpu time spent up to now is 63.1 secs Computing kpt #: 88 total cpu time spent up to now is 63.8 secs Computing kpt #: 89 total cpu time spent up to now is 64.7 secs Computing kpt #: 90 total cpu time spent up to now is 65.4 secs Computing kpt #: 91 total cpu time spent up to now is 66.1 secs Computing kpt #: 92 total cpu time spent up to now is 66.7 secs Computing kpt #: 93 total cpu time spent up to now is 67.2 secs Computing kpt #: 94 total cpu time spent up to now is 67.8 secs Computing kpt #: 95 total cpu time spent up to now is 68.5 secs Computing kpt #: 96 total cpu time spent up to now is 69.0 secs Computing kpt #: 97 total cpu time spent up to now is 69.6 secs Computing kpt #: 98 total cpu time spent up to now is 70.1 secs Computing kpt #: 99 total cpu time spent up to now is 70.7 secs Computing kpt #: 100 total cpu time spent up to now is 71.2 secs Computing kpt #: 101 total cpu time spent up to now is 71.8 secs Computing kpt #: 102 total cpu time spent up to now is 72.4 secs Computing kpt #: 103 total cpu time spent up to now is 72.9 secs Computing kpt #: 104 total cpu time spent up to now is 73.5 secs Computing kpt #: 105 total cpu time spent up to now is 74.0 secs Computing kpt #: 106 total cpu time spent up to now is 74.6 secs Computing kpt #: 107 total cpu time spent up to now is 75.1 secs Computing kpt #: 108 total cpu time spent up to now is 75.7 secs Computing kpt #: 109 total cpu time spent up to now is 76.3 secs Computing kpt #: 110 total cpu time spent up to now is 76.9 secs Computing kpt #: 111 total cpu time spent up to now is 77.5 secs Computing kpt #: 112 total cpu time spent up to now is 78.2 secs Computing kpt #: 113 total cpu time spent up to now is 78.9 secs Computing kpt #: 114 total cpu time spent up to now is 79.7 secs Computing kpt #: 115 total cpu time spent up to now is 80.4 secs Computing kpt #: 116 total cpu time spent up to now is 81.0 secs Computing kpt #: 117 total cpu time spent up to now is 81.7 secs Computing kpt #: 118 total cpu time spent up to now is 82.3 secs Computing kpt #: 119 total cpu time spent up to now is 82.9 secs Computing kpt #: 120 total cpu time spent up to now is 83.6 secs Computing kpt #: 121 total cpu time spent up to now is 84.2 secs Computing kpt #: 122 total cpu time spent up to now is 84.8 secs Computing kpt #: 123 total cpu time spent up to now is 85.4 secs Computing kpt #: 124 total cpu time spent up to now is 86.0 secs Computing kpt #: 125 total cpu time spent up to now is 86.7 secs Computing kpt #: 126 total cpu time spent up to now is 87.3 secs Computing kpt #: 127 total cpu time spent up to now is 87.8 secs Computing kpt #: 128 total cpu time spent up to now is 88.4 secs Computing kpt #: 129 total cpu time spent up to now is 88.9 secs Computing kpt #: 130 total cpu time spent up to now is 89.5 secs Computing kpt #: 131 total cpu time spent up to now is 90.1 secs Computing kpt #: 132 total cpu time spent up to now is 90.6 secs Computing kpt #: 133 total cpu time spent up to now is 91.2 secs Computing kpt #: 134 total cpu time spent up to now is 91.7 secs Computing kpt #: 135 total cpu time spent up to now is 92.3 secs Computing kpt #: 136 total cpu time spent up to now is 92.8 secs Computing kpt #: 137 total cpu time spent up to now is 93.3 secs Computing kpt #: 138 total cpu time spent up to now is 93.9 secs Computing kpt #: 139 total cpu time spent up to now is 94.4 secs Computing kpt #: 140 total cpu time spent up to now is 94.9 secs Computing kpt #: 141 total cpu time spent up to now is 95.5 secs Computing kpt #: 142 total cpu time spent up to now is 96.0 secs Computing kpt #: 143 total cpu time spent up to now is 96.5 secs Computing kpt #: 144 total cpu time spent up to now is 97.1 secs Computing kpt #: 145 total cpu time spent up to now is 97.6 secs Computing kpt #: 146 total cpu time spent up to now is 98.2 secs Computing kpt #: 147 total cpu time spent up to now is 98.7 secs Computing kpt #: 148 total cpu time spent up to now is 99.2 secs Computing kpt #: 149 total cpu time spent up to now is 99.8 secs Computing kpt #: 150 total cpu time spent up to now is 100.4 secs Computing kpt #: 151 total cpu time spent up to now is 100.9 secs Computing kpt #: 152 total cpu time spent up to now is 101.5 secs Computing kpt #: 153 total cpu time spent up to now is 102.0 secs Computing kpt #: 154 total cpu time spent up to now is 102.6 secs Computing kpt #: 155 total cpu time spent up to now is 103.1 secs Computing kpt #: 156 total cpu time spent up to now is 103.8 secs Computing kpt #: 157 total cpu time spent up to now is 104.3 secs Computing kpt #: 158 total cpu time spent up to now is 105.0 secs Computing kpt #: 159 total cpu time spent up to now is 105.6 secs Computing kpt #: 160 total cpu time spent up to now is 106.2 secs Computing kpt #: 161 total cpu time spent up to now is 107.0 secs Computing kpt #: 162 total cpu time spent up to now is 107.7 secs Computing kpt #: 163 total cpu time spent up to now is 108.4 secs Computing kpt #: 164 total cpu time spent up to now is 109.2 secs Computing kpt #: 165 total cpu time spent up to now is 110.0 secs Computing kpt #: 166 total cpu time spent up to now is 110.8 secs Computing kpt #: 167 total cpu time spent up to now is 111.7 secs Computing kpt #: 168 total cpu time spent up to now is 112.6 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.2 secs Computing kpt #: 170 total cpu time spent up to now is 115.7 secs Computing kpt #: 171 total cpu time spent up to now is 117.1 secs Computing kpt #: 172 total cpu time spent up to now is 118.5 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.1 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.7 secs Computing kpt #: 175 total cpu time spent up to now is 122.6 secs Computing kpt #: 176 total cpu time spent up to now is 123.5 secs Computing kpt #: 177 total cpu time spent up to now is 124.2 secs Computing kpt #: 178 total cpu time spent up to now is 125.1 secs Computing kpt #: 179 total cpu time spent up to now is 125.9 secs Computing kpt #: 180 total cpu time spent up to now is 126.6 secs Computing kpt #: 181 total cpu time spent up to now is 127.5 secs Computing kpt #: 182 total cpu time spent up to now is 128.2 secs Computing kpt #: 183 total cpu time spent up to now is 128.9 secs Computing kpt #: 184 total cpu time spent up to now is 129.5 secs Computing kpt #: 185 total cpu time spent up to now is 130.2 secs Computing kpt #: 186 total cpu time spent up to now is 130.8 secs Computing kpt #: 187 total cpu time spent up to now is 131.3 secs Computing kpt #: 188 total cpu time spent up to now is 132.0 secs Computing kpt #: 189 total cpu time spent up to now is 132.9 secs Computing kpt #: 190 total cpu time spent up to now is 133.7 secs Computing kpt #: 191 total cpu time spent up to now is 134.6 secs Computing kpt #: 192 total cpu time spent up to now is 135.5 secs Computing kpt #: 193 total cpu time spent up to now is 136.6 secs Computing kpt #: 194 total cpu time spent up to now is 137.4 secs Computing kpt #: 195 total cpu time spent up to now is 138.3 secs Computing kpt #: 196 total cpu time spent up to now is 138.9 secs Computing kpt #: 197 total cpu time spent up to now is 139.4 secs Computing kpt #: 198 total cpu time spent up to now is 140.0 secs Computing kpt #: 199 total cpu time spent up to now is 140.7 secs Computing kpt #: 200 total cpu time spent up to now is 141.3 secs Computing kpt #: 201 total cpu time spent up to now is 141.9 secs Computing kpt #: 202 total cpu time spent up to now is 142.4 secs Computing kpt #: 203 total cpu time spent up to now is 143.0 secs Computing kpt #: 204 total cpu time spent up to now is 143.5 secs Computing kpt #: 205 total cpu time spent up to now is 144.1 secs Computing kpt #: 206 total cpu time spent up to now is 144.7 secs Computing kpt #: 207 total cpu time spent up to now is 145.4 secs Computing kpt #: 208 total cpu time spent up to now is 146.3 secs Computing kpt #: 209 total cpu time spent up to now is 147.0 secs Computing kpt #: 210 total cpu time spent up to now is 147.8 secs Computing kpt #: 211 total cpu time spent up to now is 148.5 secs Computing kpt #: 212 total cpu time spent up to now is 149.2 secs Computing kpt #: 213 total cpu time spent up to now is 149.9 secs Computing kpt #: 214 total cpu time spent up to now is 150.4 secs Computing kpt #: 215 total cpu time spent up to now is 151.1 secs Computing kpt #: 216 total cpu time spent up to now is 151.7 secs Computing kpt #: 217 total cpu time spent up to now is 152.4 secs Computing kpt #: 218 total cpu time spent up to now is 153.0 secs Computing kpt #: 219 total cpu time spent up to now is 153.7 secs Computing kpt #: 220 total cpu time spent up to now is 154.2 secs Computing kpt #: 221 total cpu time spent up to now is 154.8 secs Computing kpt #: 222 total cpu time spent up to now is 155.4 secs Computing kpt #: 223 total cpu time spent up to now is 155.9 secs Computing kpt #: 224 total cpu time spent up to now is 156.5 secs Computing kpt #: 225 total cpu time spent up to now is 157.1 secs Computing kpt #: 226 total cpu time spent up to now is 157.6 secs Computing kpt #: 227 total cpu time spent up to now is 158.2 secs Computing kpt #: 228 total cpu time spent up to now is 158.8 secs Computing kpt #: 229 total cpu time spent up to now is 159.4 secs Computing kpt #: 230 total cpu time spent up to now is 160.1 secs Computing kpt #: 231 total cpu time spent up to now is 160.8 secs Computing kpt #: 232 total cpu time spent up to now is 161.6 secs Computing kpt #: 233 total cpu time spent up to now is 162.3 secs Computing kpt #: 234 total cpu time spent up to now is 162.8 secs Computing kpt #: 235 total cpu time spent up to now is 163.4 secs Computing kpt #: 236 total cpu time spent up to now is 163.9 secs Computing kpt #: 237 total cpu time spent up to now is 164.5 secs Computing kpt #: 238 total cpu time spent up to now is 165.0 secs Computing kpt #: 239 total cpu time spent up to now is 165.6 secs Computing kpt #: 240 total cpu time spent up to now is 166.2 secs Computing kpt #: 241 total cpu time spent up to now is 166.7 secs Computing kpt #: 242 total cpu time spent up to now is 167.3 secs Computing kpt #: 243 total cpu time spent up to now is 167.8 secs Computing kpt #: 244 total cpu time spent up to now is 168.4 secs Computing kpt #: 245 total cpu time spent up to now is 168.9 secs Computing kpt #: 246 total cpu time spent up to now is 169.5 secs Computing kpt #: 247 total cpu time spent up to now is 170.0 secs Computing kpt #: 248 total cpu time spent up to now is 170.6 secs Computing kpt #: 249 total cpu time spent up to now is 171.2 secs Computing kpt #: 250 total cpu time spent up to now is 171.7 secs Computing kpt #: 251 total cpu time spent up to now is 172.3 secs Computing kpt #: 252 total cpu time spent up to now is 172.8 secs Computing kpt #: 253 total cpu time spent up to now is 173.4 secs Computing kpt #: 254 total cpu time spent up to now is 174.0 secs Computing kpt #: 255 total cpu time spent up to now is 174.5 secs Computing kpt #: 256 total cpu time spent up to now is 175.1 secs Computing kpt #: 257 total cpu time spent up to now is 175.7 secs Computing kpt #: 258 total cpu time spent up to now is 176.3 secs Computing kpt #: 259 total cpu time spent up to now is 176.9 secs Computing kpt #: 260 total cpu time spent up to now is 177.4 secs Computing kpt #: 261 total cpu time spent up to now is 178.0 secs Computing kpt #: 262 total cpu time spent up to now is 178.6 secs Computing kpt #: 263 total cpu time spent up to now is 179.2 secs Computing kpt #: 264 total cpu time spent up to now is 179.8 secs Computing kpt #: 265 total cpu time spent up to now is 180.3 secs Computing kpt #: 266 total cpu time spent up to now is 180.9 secs Computing kpt #: 267 total cpu time spent up to now is 181.5 secs Computing kpt #: 268 total cpu time spent up to now is 182.1 secs Computing kpt #: 269 total cpu time spent up to now is 182.6 secs Computing kpt #: 270 total cpu time spent up to now is 183.2 secs Computing kpt #: 271 total cpu time spent up to now is 183.7 secs Computing kpt #: 272 total cpu time spent up to now is 184.4 secs Computing kpt #: 273 total cpu time spent up to now is 185.0 secs Computing kpt #: 274 total cpu time spent up to now is 185.6 secs Computing kpt #: 275 total cpu time spent up to now is 186.3 secs Computing kpt #: 276 total cpu time spent up to now is 186.9 secs Computing kpt #: 277 total cpu time spent up to now is 187.6 secs Computing kpt #: 278 total cpu time spent up to now is 188.2 secs Computing kpt #: 279 total cpu time spent up to now is 189.0 secs Computing kpt #: 280 total cpu time spent up to now is 189.7 secs Computing kpt #: 281 total cpu time spent up to now is 190.4 secs Computing kpt #: 282 total cpu time spent up to now is 191.2 secs Computing kpt #: 283 total cpu time spent up to now is 192.0 secs Computing kpt #: 284 total cpu time spent up to now is 192.8 secs Computing kpt #: 285 total cpu time spent up to now is 193.9 secs Computing kpt #: 286 total cpu time spent up to now is 195.7 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.3 secs Computing kpt #: 288 total cpu time spent up to now is 198.2 secs Computing kpt #: 289 total cpu time spent up to now is 199.0 secs Computing kpt #: 290 total cpu time spent up to now is 199.8 secs Computing kpt #: 291 total cpu time spent up to now is 200.5 secs Computing kpt #: 292 total cpu time spent up to now is 201.3 secs Computing kpt #: 293 total cpu time spent up to now is 202.0 secs Computing kpt #: 294 total cpu time spent up to now is 202.7 secs Computing kpt #: 295 total cpu time spent up to now is 203.5 secs Computing kpt #: 296 total cpu time spent up to now is 204.2 secs Computing kpt #: 297 total cpu time spent up to now is 204.8 secs Computing kpt #: 298 total cpu time spent up to now is 205.5 secs Computing kpt #: 299 total cpu time spent up to now is 206.1 secs Computing kpt #: 300 total cpu time spent up to now is 206.7 secs Computing kpt #: 301 total cpu time spent up to now is 207.3 secs Computing kpt #: 302 total cpu time spent up to now is 207.9 secs Computing kpt #: 303 total cpu time spent up to now is 208.5 secs Computing kpt #: 304 total cpu time spent up to now is 209.3 secs Computing kpt #: 305 total cpu time spent up to now is 210.0 secs Computing kpt #: 306 total cpu time spent up to now is 210.8 secs Computing kpt #: 307 total cpu time spent up to now is 211.6 secs Computing kpt #: 308 total cpu time spent up to now is 212.4 secs Computing kpt #: 309 total cpu time spent up to now is 213.6 secs Computing kpt #: 310 total cpu time spent up to now is 214.2 secs Computing kpt #: 311 total cpu time spent up to now is 214.9 secs Computing kpt #: 312 total cpu time spent up to now is 215.5 secs Computing kpt #: 313 total cpu time spent up to now is 216.2 secs Computing kpt #: 314 total cpu time spent up to now is 217.0 secs Computing kpt #: 315 total cpu time spent up to now is 217.9 secs Computing kpt #: 316 total cpu time spent up to now is 218.9 secs Computing kpt #: 317 total cpu time spent up to now is 219.8 secs Computing kpt #: 318 total cpu time spent up to now is 221.0 secs Computing kpt #: 319 total cpu time spent up to now is 222.5 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.2 secs Computing kpt #: 321 total cpu time spent up to now is 225.7 secs Computing kpt #: 322 total cpu time spent up to now is 226.8 secs Computing kpt #: 323 total cpu time spent up to now is 227.9 secs Computing kpt #: 324 total cpu time spent up to now is 228.6 secs Computing kpt #: 325 total cpu time spent up to now is 229.2 secs Computing kpt #: 326 total cpu time spent up to now is 229.7 secs Computing kpt #: 327 total cpu time spent up to now is 230.4 secs Computing kpt #: 328 total cpu time spent up to now is 231.0 secs Computing kpt #: 329 total cpu time spent up to now is 231.6 secs Computing kpt #: 330 total cpu time spent up to now is 232.2 secs Computing kpt #: 331 total cpu time spent up to now is 232.8 secs Computing kpt #: 332 total cpu time spent up to now is 233.3 secs Computing kpt #: 333 total cpu time spent up to now is 233.9 secs Computing kpt #: 334 total cpu time spent up to now is 234.5 secs Computing kpt #: 335 total cpu time spent up to now is 235.1 secs Computing kpt #: 336 total cpu time spent up to now is 235.7 secs Computing kpt #: 337 total cpu time spent up to now is 236.3 secs Computing kpt #: 338 total cpu time spent up to now is 236.9 secs Computing kpt #: 339 total cpu time spent up to now is 237.5 secs ethr = 2.38E-08, avg # of iterations = 27.5 total cpu time spent up to now is 237.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3463 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4909 -2.4909 0.2503 0.2503 1.0678 1.0678 1.0881 1.0881 1.1515 1.1515 1.3201 1.3201 1.5713 1.5713 1.6351 1.6351 1.7136 1.7136 1.7928 1.7928 1.9100 1.9100 2.4490 2.4490 3.4080 3.4080 7.0628 7.0628 7.0772 7.0772 8.6013 8.6013 8.7365 8.7365 9.3028 9.3028 9.3216 9.3216 10.6663 10.6663 11.2317 11.2317 k = 0.0000 0.0000 0.0196 ( 3455 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4897 -2.4897 0.2505 0.2505 1.0682 1.0682 1.0883 1.0883 1.1517 1.1517 1.3201 1.3201 1.5711 1.5711 1.6349 1.6349 1.7136 1.7136 1.7924 1.7924 1.9097 1.9097 2.4499 2.4499 3.4084 3.4084 7.0554 7.0554 7.0723 7.0723 8.5880 8.5880 8.7214 8.7214 9.3156 9.3156 9.3428 9.3428 10.6698 10.6698 11.2410 11.2410 k = 0.0000 0.0000 0.0392 ( 3449 PWs) bands (ev): -32.4236 -32.4236 -13.6950 -13.6950 -13.3305 -13.3305 -13.3023 -13.3023 -2.4861 -2.4861 0.2509 0.2509 1.0692 1.0692 1.0888 1.0888 1.1520 1.1520 1.3202 1.3202 1.5704 1.5704 1.6342 1.6342 1.7133 1.7133 1.7914 1.7914 1.9087 1.9087 2.4527 2.4527 3.4093 3.4093 7.0287 7.0287 7.0629 7.0629 8.5494 8.5494 8.6815 8.6815 9.3538 9.3538 9.3996 9.3996 10.6801 10.6801 11.2683 11.2683 k = 0.0000 0.0000 0.0588 ( 3443 PWs) bands (ev): -32.4236 -32.4236 -13.6950 -13.6950 -13.3305 -13.3305 -13.3025 -13.3025 -2.4801 -2.4801 0.2516 0.2516 1.0709 1.0709 1.0895 1.0895 1.1526 1.1526 1.3204 1.3204 1.5692 1.5692 1.6330 1.6330 1.7129 1.7129 1.7896 1.7896 1.9072 1.9072 2.4572 2.4572 3.4110 3.4110 6.9830 6.9830 7.0507 7.0507 8.4893 8.4893 8.6260 8.6260 9.4157 9.4157 9.4804 9.4804 10.6972 10.6972 11.3111 11.3111 k = 0.0000 0.0000 0.0784 ( 3443 PWs) bands (ev): -32.4236 -32.4236 -13.6952 -13.6952 -13.3306 -13.3306 -13.3028 -13.3028 -2.4718 -2.4718 0.2525 0.2525 1.0730 1.0730 1.0907 1.0907 1.1535 1.1535 1.3206 1.3206 1.5675 1.5675 1.6315 1.6315 1.7123 1.7123 1.7871 1.7871 1.9049 1.9049 2.4633 2.4633 3.4132 3.4132 6.9221 6.9221 7.0347 7.0347 8.4140 8.4140 8.5598 8.5598 9.4985 9.4985 9.5760 9.5760 10.7207 10.7207 11.3660 11.3660 k = 0.0000 0.0000 0.0981 ( 3443 PWs) bands (ev): -32.4235 -32.4235 -13.6953 -13.6953 -13.3307 -13.3307 -13.3031 -13.3031 -2.4610 -2.4610 0.2538 0.2538 1.0754 1.0754 1.0926 1.0926 1.1545 1.1545 1.3209 1.3209 1.5652 1.5652 1.6298 1.6298 1.7116 1.7116 1.7840 1.7840 1.9019 1.9019 2.4710 2.4710 3.4161 3.4161 6.8493 6.8493 7.0149 7.0149 8.3295 8.3295 8.4850 8.4850 9.5991 9.5991 9.6809 9.6809 10.7503 10.7503 11.4285 11.4285 k = 0.0000 0.0000 0.1177 ( 3445 PWs) bands (ev): -32.4235 -32.4235 -13.6955 -13.6955 -13.3308 -13.3308 -13.3036 -13.3036 -2.4480 -2.4480 0.2553 0.2553 1.0777 1.0777 1.0954 1.0954 1.1558 1.1558 1.3213 1.3213 1.5622 1.5622 1.6279 1.6279 1.7106 1.7106 1.7805 1.7805 1.8981 1.8981 2.4801 2.4801 3.4195 3.4195 6.7673 6.7673 6.9916 6.9916 8.2399 8.2399 8.4029 8.4029 9.7149 9.7149 9.7922 9.7922 10.7856 10.7856 11.4937 11.4937 k = 0.0000 0.0000 0.1373 ( 3447 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3309 -13.3309 -13.3041 -13.3041 -2.4326 -2.4326 0.2571 0.2571 1.0796 1.0796 1.0993 1.0993 1.1573 1.1573 1.3218 1.3218 1.5587 1.5587 1.6260 1.6260 1.7095 1.7095 1.7766 1.7766 1.8935 1.8935 2.4905 2.4905 3.4233 3.4233 6.6786 6.6786 6.9651 6.9651 8.1478 8.1478 8.3149 8.3149 9.8432 9.8432 9.9082 9.9082 10.8262 10.8262 11.5567 11.5567 k = 0.0000 0.0000 0.1569 ( 3446 PWs) bands (ev): -32.4234 -32.4234 -13.6960 -13.6960 -13.3310 -13.3310 -13.3046 -13.3046 -2.4150 -2.4150 0.2591 0.2591 1.0812 1.0812 1.1043 1.1043 1.1590 1.1590 1.3224 1.3224 1.5545 1.5545 1.6242 1.6242 1.7082 1.7082 1.7723 1.7723 1.8882 1.8882 2.5020 2.5020 3.4276 3.4276 6.5851 6.5851 6.9358 6.9358 8.0546 8.0546 8.2227 8.2227 9.9818 9.9818 10.0277 10.0277 10.8715 10.8715 11.6135 11.6135 k = 0.0000 0.0000 0.1765 ( 3442 PWs) bands (ev): -32.4234 -32.4234 -13.6963 -13.6963 -13.3312 -13.3312 -13.3053 -13.3053 -2.3951 -2.3951 0.2615 0.2615 1.0824 1.0824 1.1103 1.1103 1.1610 1.1610 1.3231 1.3231 1.5499 1.5499 1.6226 1.6226 1.7068 1.7068 1.7678 1.7678 1.8821 1.8821 2.5144 2.5144 3.4323 3.4323 6.4886 6.4886 6.9043 6.9043 7.9613 7.9613 8.1276 8.1276 10.1273 10.1273 10.1518 10.1518 10.9210 10.9210 11.6618 11.6618 k = 0.0000 0.0000 0.1961 ( 3438 PWs) bands (ev): -32.4233 -32.4233 -13.6967 -13.6967 -13.3313 -13.3313 -13.3059 -13.3059 -2.3731 -2.3731 0.2640 0.2640 1.0833 1.0833 1.1171 1.1171 1.1633 1.1633 1.3240 1.3240 1.5448 1.5448 1.6212 1.6212 1.7052 1.7052 1.7631 1.7631 1.8752 1.8752 2.5275 2.5275 3.4372 3.4372 6.3902 6.3902 6.8709 6.8709 7.8685 7.8685 8.0310 8.0310 10.2663 10.2663 10.2918 10.2918 10.9741 10.9741 11.7005 11.7005 k = 0.0000 0.0000 0.2157 ( 3432 PWs) bands (ev): -32.4232 -32.4232 -13.6970 -13.6970 -13.3315 -13.3315 -13.3067 -13.3067 -2.3489 -2.3489 0.2668 0.2668 1.0839 1.0839 1.1246 1.1246 1.1658 1.1658 1.3250 1.3250 1.5396 1.5396 1.6201 1.6201 1.7033 1.7033 1.7583 1.7583 1.8676 1.8676 2.5411 2.5411 3.4424 3.4424 6.2910 6.2910 6.8362 6.8362 7.7766 7.7766 7.9340 7.9340 10.3940 10.3940 10.4509 10.4509 11.0303 11.0303 11.7304 11.7304 k = 0.0000 0.0000 0.2353 ( 3436 PWs) bands (ev): -32.4232 -32.4232 -13.6974 -13.6974 -13.3316 -13.3316 -13.3075 -13.3075 -2.3227 -2.3227 0.2698 0.2698 1.0844 1.0844 1.1325 1.1325 1.1686 1.1686 1.3261 1.3261 1.5342 1.5342 1.6192 1.6192 1.7012 1.7012 1.7533 1.7533 1.8593 1.8593 2.5550 2.5550 3.4476 3.4476 6.1918 6.1918 6.8005 6.8005 7.6859 7.6859 7.8374 7.8374 10.5208 10.5208 10.6172 10.6172 11.0891 11.0891 11.7522 11.7522 k = 0.0000 0.0000 0.2549 ( 3436 PWs) bands (ev): -32.4231 -32.4231 -13.6978 -13.6978 -13.3318 -13.3318 -13.3084 -13.3084 -2.2945 -2.2945 0.2731 0.2731 1.0846 1.0846 1.1406 1.1406 1.1718 1.1718 1.3273 1.3273 1.5289 1.5289 1.6185 1.6185 1.6988 1.6988 1.7482 1.7482 1.8504 1.8504 2.5691 2.5691 3.4529 3.4529 6.0933 6.0933 6.7644 6.7644 7.5966 7.5966 7.7421 7.7421 10.6481 10.6481 10.7880 10.7880 11.1498 11.1498 11.7674 11.7674 k = 0.0000 0.0000 0.2745 ( 3432 PWs) bands (ev): -32.4230 -32.4230 -13.6983 -13.6983 -13.3320 -13.3320 -13.3093 -13.3093 -2.2643 -2.2643 0.2765 0.2765 1.0847 1.0847 1.1488 1.1488 1.1754 1.1754 1.3287 1.3287 1.5239 1.5239 1.6179 1.6179 1.6962 1.6962 1.7432 1.7432 1.8411 1.8411 2.5831 2.5831 3.4581 3.4581 5.9958 5.9958 6.7282 6.7282 7.5089 7.5089 7.6486 7.6486 10.7758 10.7758 10.9623 10.9623 11.2121 11.2121 11.7767 11.7767 k = 0.0000 0.0000 0.2942 ( 3436 PWs) bands (ev): -32.4229 -32.4229 -13.6988 -13.6988 -13.3322 -13.3322 -13.3102 -13.3102 -2.2323 -2.2323 0.2801 0.2801 1.0846 1.0846 1.1568 1.1568 1.1797 1.1797 1.3303 1.3303 1.5194 1.5194 1.6175 1.6175 1.6931 1.6931 1.7380 1.7380 1.8313 1.8313 2.5968 2.5968 3.4630 3.4630 5.8999 5.8999 6.6924 6.6924 7.4229 7.4229 7.5575 7.5575 10.9036 10.9036 11.1388 11.1388 11.2755 11.2755 11.7811 11.7811 k = 0.0000 0.0000 0.3138 ( 3436 PWs) bands (ev): -32.4228 -32.4228 -13.6992 -13.6992 -13.3325 -13.3325 -13.3112 -13.3112 -2.1985 -2.1985 0.2839 0.2839 1.0844 1.0844 1.1641 1.1641 1.1847 1.1847 1.3320 1.3320 1.5154 1.5154 1.6171 1.6171 1.6897 1.6897 1.7330 1.7330 1.8213 1.8213 2.6101 2.6101 3.4677 3.4677 5.8058 5.8058 6.6574 6.6574 7.3386 7.3386 7.4691 7.4691 11.0312 11.0312 11.3159 11.3159 11.3400 11.3400 11.7812 11.7812 k = 0.0000 0.0000 0.3334 ( 3442 PWs) bands (ev): -32.4227 -32.4227 -13.6998 -13.6998 -13.3327 -13.3327 -13.3123 -13.3123 -2.1631 -2.1631 0.2879 0.2879 1.0839 1.0839 1.1707 1.1707 1.1906 1.1906 1.3338 1.3338 1.5123 1.5123 1.6169 1.6169 1.6856 1.6856 1.7280 1.7280 1.8112 1.8112 2.6228 2.6228 3.4719 3.4719 5.7139 5.7139 6.6234 6.6234 7.2563 7.2563 7.3838 7.3838 11.1582 11.1582 11.4031 11.4031 11.4943 11.4943 11.7773 11.7773 k = 0.0000 0.0000 0.3530 ( 3434 PWs) bands (ev): -32.4226 -32.4226 -13.7003 -13.7003 -13.3329 -13.3329 -13.3133 -13.3133 -2.1260 -2.1260 0.2920 0.2920 1.0833 1.0833 1.1765 1.1765 1.1972 1.1972 1.3360 1.3360 1.5101 1.5101 1.6167 1.6167 1.6809 1.6809 1.7233 1.7233 1.8012 1.8012 2.6348 2.6348 3.4757 3.4757 5.6242 5.6242 6.5910 6.5910 7.1760 7.1760 7.3018 7.3018 11.2842 11.2842 11.4669 11.4669 11.6692 11.6692 11.7704 11.7704 k = 0.0000 0.0000 0.3726 ( 3434 PWs) bands (ev): -32.4225 -32.4225 -13.7008 -13.7008 -13.3331 -13.3331 -13.3144 -13.3144 -2.0876 -2.0876 0.2963 0.2963 1.0825 1.0825 1.1817 1.1817 1.2040 1.2040 1.3384 1.3384 1.5088 1.5088 1.6165 1.6165 1.6753 1.6753 1.7188 1.7188 1.7915 1.7915 2.6459 2.6459 3.4789 3.4789 5.5371 5.5371 6.5603 6.5603 7.0977 7.0977 7.2233 7.2233 11.4086 11.4086 11.5299 11.5299 11.7567 11.7567 11.8434 11.8434 k = 0.0000 0.0000 0.3922 ( 3430 PWs) bands (ev): -32.4224 -32.4224 -13.7014 -13.7014 -13.3333 -13.3333 -13.3155 -13.3155 -2.0477 -2.0477 0.3007 0.3007 1.0816 1.0816 1.1866 1.1866 1.2107 1.2107 1.3412 1.3412 1.5085 1.5085 1.6164 1.6164 1.6689 1.6689 1.7146 1.7146 1.7823 1.7823 2.6559 2.6559 3.4815 3.4815 5.4526 5.4526 6.5317 6.5317 7.0214 7.0214 7.1484 7.1484 11.5301 11.5301 11.5920 11.5920 11.7433 11.7433 12.0067 12.0067 k = 0.0000 0.0000 0.4118 ( 3428 PWs) bands (ev): -32.4223 -32.4223 -13.7019 -13.7019 -13.3335 -13.3335 -13.3167 -13.3167 -2.0067 -2.0067 0.3052 0.3052 1.0806 1.0806 1.1914 1.1914 1.2170 1.2170 1.3443 1.3443 1.5093 1.5093 1.6162 1.6162 1.6614 1.6614 1.7108 1.7108 1.7737 1.7737 2.6647 2.6647 3.4834 3.4834 5.3707 5.3707 6.5055 6.5055 6.9471 6.9471 7.0771 7.0771 11.6358 11.6358 11.6638 11.6638 11.7268 11.7268 12.1591 12.1591 k = 0.0000 0.0000 0.4314 ( 3428 PWs) bands (ev): -32.4222 -32.4222 -13.7025 -13.7025 -13.3338 -13.3338 -13.3178 -13.3178 -1.9645 -1.9645 0.3097 0.3097 1.0795 1.0795 1.1962 1.1962 1.2226 1.2226 1.3477 1.3477 1.5111 1.5111 1.6160 1.6160 1.6530 1.6530 1.7075 1.7075 1.7658 1.7658 2.6723 2.6723 3.4847 3.4847 5.2917 5.2917 6.4819 6.4819 6.8748 6.8748 7.0095 7.0095 11.6858 11.6858 11.7141 11.7141 11.7756 11.7756 12.0562 12.0562 k = 0.0000 0.0000 0.4510 ( 3424 PWs) bands (ev): -32.4221 -32.4221 -13.7031 -13.7031 -13.3340 -13.3340 -13.3190 -13.3190 -1.9215 -1.9215 0.3144 0.3144 1.0783 1.0783 1.2011 1.2011 1.2273 1.2273 1.3515 1.3515 1.5138 1.5138 1.6159 1.6159 1.6437 1.6437 1.7046 1.7046 1.7590 1.7590 2.6784 2.6784 3.4852 3.4852 5.2155 5.2155 6.4611 6.4611 6.8045 6.8045 6.9454 6.9454 11.6661 11.6661 11.7498 11.7498 11.8770 11.8770 11.8891 11.8891 k = 0.0000 0.0000 0.4706 ( 3416 PWs) bands (ev): -32.4219 -32.4219 -13.7036 -13.7036 -13.3342 -13.3342 -13.3201 -13.3201 -1.8776 -1.8776 0.3190 0.3190 1.0771 1.0771 1.2060 1.2060 1.2312 1.2312 1.3556 1.3556 1.5172 1.5172 1.6158 1.6158 1.6339 1.6339 1.7021 1.7021 1.7530 1.7530 2.6831 2.6831 3.4851 3.4851 5.1422 5.1422 6.4433 6.4433 6.7361 6.7361 6.8846 6.8846 11.6009 11.6009 11.7310 11.7310 11.7895 11.7895 11.9998 11.9998 k = 0.0000 0.0000 0.4903 ( 3412 PWs) bands (ev): -32.4218 -32.4218 -13.7042 -13.7042 -13.3344 -13.3344 -13.3212 -13.3212 -1.8330 -1.8330 0.3237 0.3237 1.0759 1.0759 1.2111 1.2111 1.2343 1.2343 1.3598 1.3598 1.5213 1.5213 1.6159 1.6159 1.6237 1.6237 1.7001 1.7001 1.7479 1.7479 2.6861 2.6861 3.4844 3.4844 5.0719 5.0719 6.4287 6.4287 6.6697 6.6697 6.8268 6.8268 11.4635 11.4635 11.6680 11.6680 11.8049 11.8049 12.1065 12.1065 k = 0.0000 0.0000 0.5099 ( 3412 PWs) bands (ev): -32.4217 -32.4217 -13.7048 -13.7048 -13.3346 -13.3346 -13.3224 -13.3224 -1.7880 -1.7880 0.3283 0.3283 1.0746 1.0746 1.2162 1.2162 1.2366 1.2366 1.3639 1.3639 1.5258 1.5258 1.6134 1.6134 1.6162 1.6162 1.6983 1.6983 1.7437 1.7437 2.6876 2.6876 3.4833 3.4833 5.0044 5.0044 6.4174 6.4174 6.6053 6.6053 6.7716 6.7716 11.3032 11.3032 11.6319 11.6319 11.7939 11.7939 12.2083 12.2083 k = 0.0000 0.0000 0.5295 ( 3412 PWs) bands (ev): -32.4216 -32.4216 -13.7054 -13.7054 -13.3348 -13.3348 -13.3235 -13.3235 -1.7427 -1.7427 0.3330 0.3330 1.0735 1.0735 1.2211 1.2211 1.2384 1.2384 1.3678 1.3678 1.5304 1.5304 1.6034 1.6034 1.6167 1.6167 1.6969 1.6969 1.7404 1.7404 2.6874 2.6874 3.4819 3.4819 4.9399 4.9399 6.4096 6.4096 6.5428 6.5428 6.7186 6.7186 11.1448 11.1448 11.6006 11.6006 11.7473 11.7473 12.3044 12.3044 k = 0.0000 0.0000 0.5491 ( 3408 PWs) bands (ev): -32.4215 -32.4215 -13.7059 -13.7059 -13.3350 -13.3350 -13.3247 -13.3247 -1.6973 -1.6973 0.3375 0.3375 1.0725 1.0725 1.2256 1.2256 1.2401 1.2401 1.3714 1.3714 1.5347 1.5347 1.5941 1.5941 1.6178 1.6178 1.6958 1.6958 1.7380 1.7380 2.6855 2.6855 3.4803 3.4803 4.8783 4.8783 6.4051 6.4051 6.4823 6.4823 6.6671 6.6671 10.9934 10.9934 11.5699 11.5699 11.6666 11.6666 12.3933 12.3933 k = 0.0000 0.0000 0.5687 ( 3398 PWs) bands (ev): -32.4214 -32.4214 -13.7065 -13.7065 -13.3352 -13.3352 -13.3257 -13.3257 -1.6519 -1.6519 0.3421 0.3421 1.0717 1.0717 1.2289 1.2289 1.2425 1.2425 1.3746 1.3746 1.5384 1.5384 1.5857 1.5857 1.6195 1.6195 1.6951 1.6951 1.7363 1.7363 2.6820 2.6820 3.4787 3.4787 4.8196 4.8196 6.4040 6.4040 6.4240 6.4240 6.6166 6.6166 10.8507 10.8507 11.5362 11.5362 11.5638 11.5638 12.4683 12.4683 k = 0.0000 0.0000 0.5883 ( 3396 PWs) bands (ev): -32.4212 -32.4212 -13.7071 -13.7071 -13.3353 -13.3353 -13.3268 -13.3268 -1.6067 -1.6067 0.3465 0.3465 1.0710 1.0710 1.2301 1.2301 1.2464 1.2464 1.3772 1.3772 1.5411 1.5411 1.5788 1.5788 1.6220 1.6220 1.6947 1.6947 1.7354 1.7354 2.6768 2.6768 3.4775 3.4775 4.7638 4.7638 6.3670 6.3670 6.4069 6.4069 6.5666 6.5666 10.7180 10.7180 11.4364 11.4364 11.5114 11.5114 12.5256 12.5256 k = 0.0000 0.0000 0.6079 ( 3396 PWs) bands (ev): -32.4211 -32.4211 -13.7076 -13.7076 -13.3355 -13.3355 -13.3279 -13.3279 -1.5620 -1.5620 0.3508 0.3508 1.0705 1.0705 1.2292 1.2292 1.2518 1.2518 1.3793 1.3793 1.5422 1.5422 1.5735 1.5735 1.6253 1.6253 1.6947 1.6947 1.7351 1.7351 2.6700 2.6700 3.4769 3.4769 4.7109 4.7109 6.3127 6.3127 6.4123 6.4123 6.5166 6.5166 10.5960 10.5960 11.3073 11.3073 11.4798 11.4798 12.5833 12.5834 k = 0.0000 0.0000 0.6275 ( 3402 PWs) bands (ev): -32.4210 -32.4210 -13.7082 -13.7082 -13.3357 -13.3357 -13.3290 -13.3290 -1.5179 -1.5179 0.3549 0.3549 1.0702 1.0702 1.2268 1.2268 1.2581 1.2581 1.3811 1.3811 1.5419 1.5419 1.5698 1.5698 1.6295 1.6295 1.6951 1.6951 1.7355 1.7355 2.6617 2.6617 3.4771 3.4771 4.6607 4.6607 6.2604 6.2604 6.4180 6.4180 6.4685 6.4685 10.4855 10.4855 11.1734 11.1734 11.4485 11.4485 12.6463 12.6463 k = 0.0000 0.0000 0.6471 ( 3414 PWs) bands (ev): -32.4209 -32.4209 -13.7087 -13.7087 -13.3359 -13.3359 -13.3300 -13.3300 -1.4746 -1.4746 0.3589 0.3589 1.0702 1.0702 1.2231 1.2231 1.2649 1.2649 1.3826 1.3826 1.5405 1.5405 1.5674 1.5674 1.6343 1.6343 1.6958 1.6958 1.7364 1.7364 2.6519 2.6519 3.4784 3.4784 4.6133 4.6133 6.2102 6.2102 6.3988 6.3988 6.4471 6.4471 10.3871 10.3871 11.0377 11.0377 11.4170 11.4170 12.7120 12.7120 k = 0.0000 0.0000 0.6668 ( 3418 PWs) bands (ev): -32.4208 -32.4208 -13.7093 -13.7093 -13.3361 -13.3361 -13.3310 -13.3310 -1.4323 -1.4323 0.3628 0.3628 1.0704 1.0704 1.2183 1.2183 1.2721 1.2721 1.3843 1.3843 1.5386 1.5386 1.5658 1.5658 1.6398 1.6398 1.6970 1.6970 1.7379 1.7379 2.6408 2.6408 3.4812 3.4812 4.5686 4.5686 6.1621 6.1621 6.3472 6.3472 6.4590 6.4590 10.3013 10.3013 10.9021 10.9021 11.3856 11.3856 12.7346 12.7346 k = 0.0000 0.0000 0.6864 ( 3414 PWs) bands (ev): -32.4207 -32.4207 -13.7098 -13.7098 -13.3362 -13.3362 -13.3319 -13.3319 -1.3912 -1.3912 0.3665 0.3665 1.0709 1.0709 1.2125 1.2125 1.2796 1.2796 1.3863 1.3863 1.5366 1.5366 1.5644 1.5644 1.6456 1.6456 1.6985 1.6985 1.7398 1.7398 2.6286 2.6286 3.4857 3.4857 4.5266 4.5266 6.1162 6.1162 6.2889 6.2889 6.4779 6.4779 10.2283 10.2283 10.7676 10.7676 11.3541 11.3541 12.7319 12.7319 k = 0.0000 0.0000 0.7060 ( 3422 PWs) bands (ev): -32.4206 -32.4206 -13.7103 -13.7103 -13.3364 -13.3364 -13.3329 -13.3329 -1.3515 -1.3515 0.3700 0.3700 1.0715 1.0715 1.2057 1.2057 1.2875 1.2875 1.3888 1.3888 1.5347 1.5347 1.5629 1.5629 1.6514 1.6514 1.7005 1.7005 1.7419 1.7419 2.6153 2.6153 3.4922 3.4922 4.4873 4.4873 6.0724 6.0724 6.2268 6.2268 6.5006 6.5006 10.1685 10.1685 10.6350 10.6350 11.3224 11.3224 12.7274 12.7274 k = 0.0000 0.0000 0.7256 ( 3426 PWs) bands (ev): -32.4205 -32.4205 -13.7107 -13.7107 -13.3365 -13.3365 -13.3338 -13.3338 -1.3133 -1.3133 0.3733 0.3733 1.0724 1.0724 1.1980 1.1980 1.2956 1.2956 1.3920 1.3920 1.5329 1.5329 1.5615 1.5615 1.6572 1.6572 1.7029 1.7029 1.7444 1.7444 2.6011 2.6011 3.5010 3.5010 4.4504 4.4504 6.0307 6.0307 6.1611 6.1611 6.5263 6.5263 10.1218 10.1218 10.5051 10.5051 11.2906 11.2906 12.7221 12.7221 k = 0.0000 0.0000 0.7452 ( 3414 PWs) bands (ev): -32.4204 -32.4204 -13.7111 -13.7111 -13.3366 -13.3366 -13.3346 -13.3346 -1.2768 -1.2768 0.3765 0.3765 1.0734 1.0734 1.1896 1.1896 1.3040 1.3040 1.3960 1.3960 1.5313 1.5313 1.5600 1.5600 1.6629 1.6629 1.7057 1.7057 1.7469 1.7469 2.5863 2.5863 3.5123 3.5123 4.4162 4.4162 5.9910 5.9910 6.0924 6.0924 6.5548 6.5548 10.0881 10.0881 10.3784 10.3784 11.2587 11.2587 12.7164 12.7164 k = 0.0000 0.0000 0.7648 ( 3414 PWs) bands (ev): -32.4204 -32.4204 -13.7115 -13.7115 -13.3367 -13.3367 -13.3353 -13.3353 -1.2421 -1.2421 0.3794 0.3794 1.0747 1.0747 1.1807 1.1807 1.3125 1.3125 1.4008 1.4008 1.5298 1.5298 1.5583 1.5583 1.6683 1.6683 1.7087 1.7087 1.7494 1.7494 2.5709 2.5709 3.5262 3.5262 4.3844 4.3844 5.9528 5.9528 6.0214 6.0214 6.5855 6.5855 10.0669 10.0669 10.2554 10.2554 11.2264 11.2264 12.7103 12.7103 k = 0.0000 0.0000 0.7844 ( 3418 PWs) bands (ev): -32.4203 -32.4203 -13.7119 -13.7119 -13.3368 -13.3368 -13.3361 -13.3361 -1.2095 -1.2095 0.3821 0.3821 1.0760 1.0760 1.1715 1.1715 1.3211 1.3211 1.4063 1.4063 1.5282 1.5282 1.5566 1.5566 1.6735 1.6735 1.7120 1.7120 1.7517 1.7517 2.5552 2.5552 3.5429 3.5429 4.3550 4.3550 5.9128 5.9128 5.9518 5.9518 6.6182 6.6182 10.0577 10.0577 10.1366 10.1366 11.1937 11.1937 12.7042 12.7042 k = 0.0000 0.0000 0.8040 ( 3418 PWs) bands (ev): -32.4202 -32.4202 -13.7123 -13.7123 -13.3370 -13.3370 -13.3367 -13.3367 -1.1789 -1.1789 0.3846 0.3846 1.0774 1.0774 1.1622 1.1622 1.3298 1.3298 1.4125 1.4125 1.5267 1.5267 1.5547 1.5547 1.6784 1.6784 1.7155 1.7155 1.7537 1.7537 2.5394 2.5394 3.5624 3.5624 4.3280 4.3280 5.8557 5.8557 5.8995 5.8995 6.6525 6.6525 10.0224 10.0224 10.0599 10.0599 11.1605 11.1605 12.6980 12.6980 k = 0.0000 0.0000 0.8236 ( 3402 PWs) bands (ev): -32.4201 -32.4201 -13.7126 -13.7126 -13.3374 -13.3374 -13.3369 -13.3369 -1.1505 -1.1505 0.3870 0.3870 1.0789 1.0789 1.1531 1.1531 1.3385 1.3385 1.4193 1.4193 1.5252 1.5252 1.5528 1.5528 1.6831 1.6831 1.7192 1.7192 1.7552 1.7552 2.5237 2.5237 3.5846 3.5846 4.3033 4.3033 5.7816 5.7816 5.8654 5.8654 6.6878 6.6878 9.9135 9.9135 10.0726 10.0726 11.1264 11.1264 12.6921 12.6921 k = 0.0000 0.0000 0.8432 ( 3400 PWs) bands (ev): -32.4201 -32.4201 -13.7129 -13.7129 -13.3380 -13.3380 -13.3370 -13.3370 -1.1244 -1.1244 0.3890 0.3890 1.0805 1.0805 1.1442 1.1442 1.3470 1.3470 1.4265 1.4265 1.5237 1.5237 1.5507 1.5507 1.6876 1.6876 1.7229 1.7229 1.7563 1.7563 2.5083 2.5083 3.6094 3.6094 4.2809 4.2809 5.7038 5.7038 5.8370 5.8370 6.7238 6.7238 9.8103 9.8103 10.0949 10.0949 11.0913 11.0913 12.6864 12.6864 k = 0.0000 0.0000 0.8629 ( 3400 PWs) bands (ev): -32.4200 -32.4200 -13.7132 -13.7132 -13.3385 -13.3385 -13.3371 -13.3371 -1.1007 -1.1007 0.3909 0.3909 1.0819 1.0819 1.1356 1.1356 1.3552 1.3552 1.4340 1.4340 1.5222 1.5222 1.5484 1.5484 1.6920 1.6920 1.7266 1.7266 1.7567 1.7567 2.4935 2.4935 3.6363 3.6363 4.2608 4.2608 5.6259 5.6259 5.8118 5.8118 6.7598 6.7598 9.7136 9.7136 10.1259 10.1259 11.0549 11.0549 12.6810 12.6810 k = 0.0000 0.0000 0.8825 ( 3398 PWs) bands (ev): -32.4199 -32.4199 -13.7134 -13.7134 -13.3390 -13.3390 -13.3371 -13.3371 -1.0794 -1.0794 0.3926 0.3926 1.0834 1.0834 1.1276 1.1276 1.3631 1.3631 1.4417 1.4417 1.5208 1.5208 1.5459 1.5459 1.6964 1.6964 1.7301 1.7301 1.7565 1.7565 2.4794 2.4794 3.6650 3.6650 4.2428 4.2428 5.5494 5.5494 5.7894 5.7894 6.7951 6.7951 9.6238 9.6238 10.1645 10.1645 11.0168 11.0168 12.6761 12.6761 k = 0.0000 0.0000 0.9021 ( 3412 PWs) bands (ev): -32.4199 -32.4199 -13.7137 -13.7137 -13.3394 -13.3394 -13.3372 -13.3372 -1.0605 -1.0605 0.3940 0.3940 1.0847 1.0847 1.1203 1.1203 1.3704 1.3704 1.4494 1.4494 1.5193 1.5193 1.5432 1.5432 1.7006 1.7006 1.7334 1.7334 1.7557 1.7557 2.4664 2.4664 3.6948 3.6948 4.2271 4.2271 5.4758 5.4758 5.7696 5.7696 6.8291 6.8291 9.5418 9.5418 10.2095 10.2095 10.9767 10.9767 12.6716 12.6716 k = 0.0000 0.0000 0.9217 ( 3404 PWs) bands (ev): -32.4198 -32.4198 -13.7139 -13.7139 -13.3398 -13.3398 -13.3373 -13.3373 -1.0441 -1.0441 0.3953 0.3953 1.0859 1.0859 1.1138 1.1138 1.3772 1.3772 1.4571 1.4571 1.5181 1.5181 1.5403 1.5403 1.7049 1.7049 1.7365 1.7365 1.7543 1.7543 2.4545 2.4545 3.7247 3.7247 4.2134 4.2134 5.4067 5.4067 5.7525 5.7525 6.8610 6.8610 9.4683 9.4683 10.2598 10.2598 10.9344 10.9344 12.6676 12.6676 k = 0.0000 0.0000 0.9413 ( 3402 PWs) bands (ev): -32.4198 -32.4198 -13.7141 -13.7141 -13.3401 -13.3401 -13.3373 -13.3373 -1.0303 -1.0303 0.3963 0.3963 1.0870 1.0870 1.1081 1.1081 1.3832 1.3832 1.4645 1.4645 1.5169 1.5169 1.5372 1.5372 1.7092 1.7092 1.7391 1.7391 1.7524 1.7524 2.4441 2.4441 3.7538 3.7538 4.2019 4.2019 5.3436 5.3436 5.7380 5.7380 6.8899 6.8899 9.4042 9.4042 10.3143 10.3143 10.8896 10.8896 12.6642 12.6642 k = 0.0000 0.0000 0.9609 ( 3402 PWs) bands (ev): -32.4198 -32.4198 -13.7142 -13.7142 -13.3404 -13.3404 -13.3373 -13.3373 -1.0189 -1.0189 0.3972 0.3972 1.0879 1.0879 1.1033 1.1033 1.3884 1.3884 1.4715 1.4715 1.5159 1.5159 1.5339 1.5339 1.7134 1.7134 1.7412 1.7412 1.7501 1.7501 2.4353 2.4353 3.7806 3.7806 4.1925 4.1925 5.2884 5.2884 5.7262 5.7262 6.9151 6.9151 9.3502 9.3502 10.3718 10.3718 10.8422 10.8422 12.6613 12.6613 k = 0.0000 0.0000 0.9805 ( 3408 PWs) bands (ev): -32.4198 -32.4198 -13.7143 -13.7143 -13.3406 -13.3406 -13.3374 -13.3374 -1.0100 -1.0100 0.3978 0.3978 1.0886 1.0886 1.0996 1.0996 1.3925 1.3925 1.4777 1.4777 1.5150 1.5150 1.5307 1.5307 1.7175 1.7175 1.7425 1.7425 1.7480 1.7480 2.4282 2.4282 3.8038 3.8038 4.1851 4.1851 5.2429 5.2429 5.7169 5.7169 6.9357 6.9357 9.3072 9.3072 10.4309 10.4309 10.7924 10.7924 12.6591 12.6591 k = 0.0000 0.0000 1.0001 ( 3396 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3407 -13.3407 -13.3374 -13.3374 -1.0037 -1.0037 0.3983 0.3983 1.0892 1.0892 1.0969 1.0969 1.3956 1.3956 1.4828 1.4828 1.5145 1.5145 1.5278 1.5278 1.7213 1.7213 1.7420 1.7420 1.7471 1.7471 2.4231 2.4231 3.8217 3.8217 4.1799 4.1799 5.2087 5.2087 5.7103 5.7103 6.9510 6.9510 9.2759 9.2759 10.4899 10.4899 10.7407 10.7407 12.6575 12.6575 k = 0.0000 0.0000 1.0197 ( 3400 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9999 -0.9999 0.3986 0.3986 1.0895 1.0895 1.0952 1.0952 1.3974 1.3974 1.4864 1.4864 1.5141 1.5141 1.5256 1.5256 1.7244 1.7244 1.7402 1.7402 1.7472 1.7472 2.4200 2.4200 3.8331 3.8331 4.1767 4.1767 5.1875 5.1875 5.7064 5.7064 6.9604 6.9604 9.2569 9.2569 10.5451 10.5451 10.6902 10.6902 12.6565 12.6565 k = 0.0000 0.0000 1.0393 ( 3388 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9987 -0.9987 0.3987 0.3987 1.0897 1.0897 1.0948 1.0948 1.3981 1.3981 1.4877 1.4877 1.5140 1.5140 1.5248 1.5248 1.7256 1.7256 1.7393 1.7393 1.7474 1.7474 2.4189 2.4189 3.8371 3.8371 4.1756 4.1756 5.1803 5.1803 5.7050 5.7050 6.9636 6.9636 9.2505 9.2505 10.5771 10.5771 10.6599 10.6599 12.6562 12.6562 k = 0.0000 0.0000 1.0393 ( 3388 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9987 -0.9987 0.3987 0.3987 1.0897 1.0897 1.0948 1.0948 1.3981 1.3981 1.4877 1.4877 1.5140 1.5140 1.5248 1.5248 1.7256 1.7256 1.7393 1.7393 1.7474 1.7474 2.4189 2.4189 3.8371 3.8371 4.1756 4.1756 5.1803 5.1803 5.7050 5.7050 6.9636 6.9636 9.2505 9.2505 10.5771 10.5771 10.6599 10.6599 12.6562 12.6562 k =-0.0094 0.0171 1.0393 ( 3392 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9987 -0.9987 0.3972 0.3972 1.0902 1.0902 1.0948 1.0948 1.3978 1.3978 1.4873 1.4873 1.5141 1.5141 1.5249 1.5249 1.7255 1.7255 1.7393 1.7393 1.7474 1.7474 2.4129 2.4129 3.8380 3.8380 4.1852 4.1852 5.1762 5.1762 5.7096 5.7096 6.9653 6.9653 9.2507 9.2507 10.5773 10.5773 10.6627 10.6627 12.6591 12.6591 k =-0.0188 0.0343 1.0393 ( 3396 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3407 -13.3407 -13.3374 -13.3374 -0.9990 -0.9990 0.3927 0.3927 1.0918 1.0918 1.0947 1.0947 1.3969 1.3969 1.4864 1.4864 1.5143 1.5143 1.5254 1.5254 1.7252 1.7252 1.7393 1.7393 1.7474 1.7474 2.3951 2.3951 3.8406 3.8406 4.2136 4.2136 5.1642 5.1642 5.7231 5.7231 6.9704 6.9704 9.2512 9.2512 10.5781 10.5781 10.6710 10.6710 12.6677 12.6677 k =-0.0282 0.0514 1.0393 ( 3400 PWs) bands (ev): -32.4198 -32.4198 -13.7143 -13.7143 -13.3406 -13.3406 -13.3374 -13.3374 -0.9994 -0.9994 0.3851 0.3851 1.0944 1.0944 1.0948 1.0948 1.3954 1.3954 1.4849 1.4849 1.5147 1.5147 1.5261 1.5261 1.7245 1.7245 1.7393 1.7393 1.7474 1.7474 2.3669 2.3669 3.8451 3.8451 4.2593 4.2593 5.1454 5.1454 5.7443 5.7443 6.9790 6.9790 9.2521 9.2521 10.5794 10.5794 10.6845 10.6845 12.6822 12.6822 k =-0.0376 0.0686 1.0393 ( 3402 PWs) bands (ev): -32.4198 -32.4198 -13.7142 -13.7142 -13.3404 -13.3404 -13.3373 -13.3373 -1.0000 -1.0000 0.3744 0.3744 1.0947 1.0947 1.0982 1.0982 1.3935 1.3935 1.4828 1.4828 1.5153 1.5153 1.5271 1.5271 1.7235 1.7235 1.7395 1.7395 1.7477 1.7477 2.3301 2.3301 3.8514 3.8514 4.3207 4.3207 5.1214 5.1214 5.7719 5.7719 6.9910 6.9910 9.2534 9.2534 10.5813 10.5813 10.7025 10.7025 12.7023 12.7023 k =-0.0470 0.0857 1.0393 ( 3404 PWs) bands (ev): -32.4198 -32.4198 -13.7141 -13.7141 -13.3401 -13.3401 -13.3373 -13.3373 -1.0009 -1.0009 0.3607 0.3607 1.0947 1.0947 1.1028 1.1028 1.3912 1.3912 1.4801 1.4801 1.5160 1.5160 1.5282 1.5282 1.7221 1.7221 1.7396 1.7396 1.7482 1.7482 2.2867 2.2867 3.8595 3.8595 4.3957 4.3957 5.0936 5.0936 5.8048 5.8048 7.0063 7.0063 9.2553 9.2553 10.5838 10.5838 10.7243 10.7243 12.7280 12.7280 k =-0.0565 0.1029 1.0393 ( 3408 PWs) bands (ev): -32.4198 -32.4198 -13.7139 -13.7139 -13.3399 -13.3399 -13.3373 -13.3373 -1.0019 -1.0019 0.3437 0.3437 1.0946 1.0946 1.1082 1.1082 1.3885 1.3885 1.4769 1.4769 1.5168 1.5168 1.5295 1.5295 1.7202 1.7202 1.7397 1.7397 1.7491 1.7491 2.2388 2.2388 3.8695 3.8695 4.4823 4.4823 5.0633 5.0633 5.8419 5.8419 7.0250 7.0250 9.2579 9.2579 10.5869 10.5869 10.7488 10.7488 12.7592 12.7592 k =-0.0659 0.1200 1.0393 ( 3408 PWs) bands (ev): -32.4199 -32.4199 -13.7137 -13.7137 -13.3395 -13.3395 -13.3372 -13.3372 -1.0032 -1.0032 0.3236 0.3236 1.0947 1.0947 1.1146 1.1146 1.3855 1.3855 1.4731 1.4731 1.5177 1.5177 1.5310 1.5310 1.7179 1.7179 1.7395 1.7395 1.7503 1.7503 2.1881 2.1881 3.8813 3.8813 4.5786 4.5786 5.0317 5.0317 5.8825 5.8825 7.0471 7.0471 9.2613 9.2613 10.5907 10.5907 10.7747 10.7747 12.7957 12.7957 k =-0.0753 0.1372 1.0393 ( 3416 PWs) bands (ev): -32.4199 -32.4199 -13.7136 -13.7136 -13.3392 -13.3392 -13.3371 -13.3371 -1.0049 -1.0049 0.3002 0.3002 1.0948 1.0948 1.1216 1.1216 1.3823 1.3823 1.4687 1.4687 1.5186 1.5186 1.5324 1.5324 1.7151 1.7151 1.7391 1.7391 1.7519 1.7519 2.1362 2.1362 3.8951 3.8951 4.6831 4.6831 4.9996 4.9996 5.9260 5.9260 7.0725 7.0725 9.2658 9.2658 10.5952 10.5952 10.8006 10.8006 12.8366 12.8366 k =-0.0753 0.1372 1.0393 ( 3416 PWs) bands (ev): -32.4199 -32.4199 -13.7136 -13.7136 -13.3392 -13.3392 -13.3371 -13.3371 -1.0049 -1.0049 0.3002 0.3002 1.0948 1.0948 1.1216 1.1216 1.3823 1.3823 1.4687 1.4687 1.5186 1.5186 1.5324 1.5324 1.7151 1.7151 1.7391 1.7391 1.7519 1.7519 2.1362 2.1362 3.8951 3.8951 4.6831 4.6831 4.9996 4.9996 5.9260 5.9260 7.0725 7.0725 9.2658 9.2658 10.5952 10.5952 10.8006 10.8006 12.8366 12.8366 k =-0.0819 0.1493 1.0256 ( 3409 PWs) bands (ev): -32.4200 -32.4200 -13.7134 -13.7134 -13.3389 -13.3389 -13.3370 -13.3370 -1.0067 -1.0067 0.2818 0.2818 1.0951 1.0951 1.1270 1.1270 1.3797 1.3797 1.4649 1.4649 1.5194 1.5194 1.5337 1.5337 1.7128 1.7128 1.7386 1.7386 1.7534 1.7534 2.1001 2.1001 3.9028 3.9028 4.7609 4.7609 4.9822 4.9822 5.9585 5.9585 7.0911 7.0911 9.2727 9.2727 10.5931 10.5931 10.8227 10.8227 12.8468 12.8468 k =-0.0886 0.1614 1.0118 ( 3413 PWs) bands (ev): -32.4200 -32.4200 -13.7132 -13.7132 -13.3388 -13.3388 -13.3367 -13.3367 -1.0098 -1.0098 0.2619 0.2619 1.0959 1.0959 1.1325 1.1325 1.3768 1.3768 1.4602 1.4602 1.5201 1.5201 1.5353 1.5353 1.7097 1.7097 1.7377 1.7377 1.7552 1.7552 2.0656 2.0656 3.9043 3.9043 4.8413 4.8413 4.9761 4.9761 5.9927 5.9927 7.1092 7.1092 9.2862 9.2862 10.5833 10.5833 10.8490 10.8490 12.8533 12.8533 k =-0.0952 0.1735 0.9980 ( 3413 PWs) bands (ev): -32.4201 -32.4201 -13.7130 -13.7130 -13.3389 -13.3389 -13.3362 -13.3362 -1.0140 -1.0140 0.2406 0.2406 1.0973 1.0973 1.1382 1.1382 1.3736 1.3736 1.4546 1.4546 1.5208 1.5208 1.5372 1.5372 1.7062 1.7062 1.7365 1.7365 1.7572 1.7572 2.0327 2.0327 3.8989 3.8989 4.9222 4.9222 4.9836 4.9836 6.0282 6.0282 7.1272 7.1272 9.3063 9.3063 10.5701 10.5701 10.8750 10.8750 12.8670 12.8670 k =-0.1018 0.1856 0.9842 ( 3411 PWs) bands (ev): -32.4201 -32.4201 -13.7127 -13.7127 -13.3390 -13.3390 -13.3355 -13.3355 -1.0193 -1.0193 0.2181 0.2181 1.0991 1.0991 1.1440 1.1440 1.3703 1.3703 1.4484 1.4484 1.5214 1.5214 1.5391 1.5391 1.7023 1.7023 1.7348 1.7348 1.7595 1.7595 2.0019 2.0019 3.8863 3.8863 4.9864 4.9864 5.0217 5.0217 6.0646 6.0646 7.1458 7.1458 9.3326 9.3326 10.5558 10.5558 10.8977 10.8977 12.8877 12.8877 k =-0.1085 0.1977 0.9704 ( 3402 PWs) bands (ev): -32.4202 -32.4202 -13.7124 -13.7124 -13.3392 -13.3392 -13.3347 -13.3347 -1.0255 -1.0255 0.1944 0.1944 1.1014 1.1014 1.1498 1.1498 1.3669 1.3669 1.4417 1.4417 1.5219 1.5219 1.5411 1.5411 1.6981 1.6981 1.7326 1.7326 1.7618 1.7618 1.9732 1.9732 3.8667 3.8667 5.0226 5.0226 5.1007 5.1007 6.1017 6.1017 7.1658 7.1658 9.3649 9.3649 10.5416 10.5416 10.9157 10.9157 12.9143 12.9144 k =-0.1151 0.2097 0.9566 ( 3404 PWs) bands (ev): -32.4202 -32.4202 -13.7121 -13.7121 -13.3394 -13.3394 -13.3339 -13.3339 -1.0326 -1.0326 0.1696 0.1696 1.1042 1.1042 1.1556 1.1556 1.3634 1.3634 1.4346 1.4346 1.5224 1.5224 1.5431 1.5431 1.6938 1.6938 1.7300 1.7300 1.7640 1.7640 1.9465 1.9465 3.8409 3.8409 5.0650 5.0650 5.1847 5.1847 6.1392 6.1392 7.1882 7.1882 9.4028 9.4028 10.5285 10.5285 10.9283 10.9283 12.9443 12.9443 k =-0.1217 0.2218 0.9428 ( 3404 PWs) bands (ev): -32.4203 -32.4203 -13.7119 -13.7119 -13.3397 -13.3397 -13.3329 -13.3329 -1.0405 -1.0405 0.1441 0.1441 1.1074 1.1074 1.1614 1.1614 1.3600 1.3600 1.4273 1.4273 1.5229 1.5229 1.5451 1.5451 1.6893 1.6893 1.7270 1.7270 1.7661 1.7661 1.9221 1.9221 3.8097 3.8097 5.1173 5.1173 5.2683 5.2683 6.1767 6.1767 7.2139 7.2139 9.4461 9.4461 10.5167 10.5167 10.9353 10.9353 12.9711 12.9711 k =-0.1284 0.2339 0.9290 ( 3406 PWs) bands (ev): -32.4204 -32.4204 -13.7116 -13.7116 -13.3400 -13.3400 -13.3319 -13.3319 -1.0490 -1.0490 0.1178 0.1178 1.1110 1.1110 1.1670 1.1670 1.3566 1.3566 1.4198 1.4198 1.5233 1.5233 1.5471 1.5471 1.6847 1.6847 1.7236 1.7236 1.7680 1.7680 1.8997 1.8997 3.7743 3.7743 5.1790 5.1790 5.3500 5.3500 6.2140 6.2140 7.2441 7.2441 9.4943 9.4943 10.5067 10.5067 10.9368 10.9368 12.9768 12.9768 k =-0.1350 0.2460 0.9152 ( 3409 PWs) bands (ev): -32.4205 -32.4205 -13.7113 -13.7113 -13.3403 -13.3403 -13.3309 -13.3309 -1.0581 -1.0581 0.0911 0.0911 1.1150 1.1150 1.1726 1.1726 1.3532 1.3532 1.4123 1.4123 1.5237 1.5237 1.5490 1.5490 1.6800 1.6800 1.7198 1.7198 1.7697 1.7697 1.8793 1.8793 3.7356 3.7356 5.2491 5.2491 5.4284 5.4284 6.2509 6.2509 7.2801 7.2801 9.5471 9.5471 10.4985 10.4985 10.9334 10.9334 12.9525 12.9525 k =-0.1416 0.2581 0.9014 ( 3411 PWs) bands (ev): -32.4205 -32.4205 -13.7110 -13.7110 -13.3406 -13.3406 -13.3298 -13.3298 -1.0677 -1.0677 0.0640 0.0640 1.1193 1.1193 1.1780 1.1780 1.3499 1.3499 1.4050 1.4050 1.5241 1.5241 1.5509 1.5509 1.6754 1.6754 1.7157 1.7157 1.7711 1.7711 1.8609 1.8609 3.6947 3.6947 5.3268 5.3268 5.5026 5.5026 6.2871 6.2871 7.3229 7.3229 9.6041 9.6041 10.4922 10.4922 10.9256 10.9256 12.9145 12.9145 k =-0.1483 0.2702 0.8876 ( 3411 PWs) bands (ev): -32.4206 -32.4206 -13.7107 -13.7107 -13.3410 -13.3410 -13.3287 -13.3287 -1.0777 -1.0777 0.0368 0.0368 1.1239 1.1239 1.1833 1.1833 1.3466 1.3466 1.3980 1.3980 1.5246 1.5246 1.5529 1.5529 1.6707 1.6707 1.7113 1.7113 1.7722 1.7722 1.8444 1.8444 3.6523 3.6523 5.4109 5.4109 5.5716 5.5716 6.3224 6.3224 7.3736 7.3736 9.6650 9.6650 10.4878 10.4878 10.9141 10.9141 12.8703 12.8703 k =-0.1549 0.2823 0.8738 ( 3413 PWs) bands (ev): -32.4207 -32.4207 -13.7103 -13.7103 -13.3413 -13.3413 -13.3276 -13.3276 -1.0879 -1.0879 0.0097 0.0097 1.1287 1.1287 1.1883 1.1883 1.3433 1.3433 1.3914 1.3914 1.5251 1.5251 1.5549 1.5549 1.6661 1.6661 1.7066 1.7066 1.7729 1.7729 1.8296 1.8296 3.6091 3.6091 5.5008 5.5008 5.6345 5.6345 6.3568 6.3568 7.4332 7.4332 9.7293 9.7293 10.4850 10.4850 10.8993 10.8993 12.8216 12.8216 k =-0.1616 0.2944 0.8600 ( 3411 PWs) bands (ev): -32.4208 -32.4208 -13.7100 -13.7100 -13.3416 -13.3416 -13.3264 -13.3264 -1.0982 -1.0982 -0.0172 -0.0172 1.1338 1.1338 1.1931 1.1931 1.3399 1.3399 1.3853 1.3853 1.5257 1.5257 1.5570 1.5570 1.6616 1.6616 1.7018 1.7018 1.7731 1.7731 1.8166 1.8166 3.5658 3.5658 5.5956 5.5956 5.6909 5.6909 6.3901 6.3901 7.5024 7.5024 9.7969 9.7969 10.4838 10.4838 10.8821 10.8821 12.7687 12.7687 k =-0.1682 0.3065 0.8462 ( 3413 PWs) bands (ev): -32.4209 -32.4209 -13.7097 -13.7097 -13.3420 -13.3420 -13.3252 -13.3252 -1.1087 -1.1087 -0.0438 -0.0438 1.1391 1.1391 1.1976 1.1976 1.3364 1.3364 1.3797 1.3797 1.5264 1.5264 1.5592 1.5592 1.6571 1.6571 1.6968 1.6968 1.7725 1.7725 1.8053 1.8053 3.5227 3.5227 5.6945 5.6945 5.7405 5.7405 6.4222 6.4222 7.5816 7.5816 9.8674 9.8674 10.4838 10.4838 10.8627 10.8627 12.7113 12.7113 k =-0.1748 0.3186 0.8324 ( 3419 PWs) bands (ev): -32.4209 -32.4209 -13.7094 -13.7094 -13.3423 -13.3423 -13.3241 -13.3241 -1.1191 -1.1191 -0.0698 -0.0698 1.1445 1.1445 1.2019 1.2019 1.3326 1.3326 1.3749 1.3749 1.5271 1.5271 1.5616 1.5616 1.6527 1.6527 1.6916 1.6916 1.7708 1.7708 1.7961 1.7961 3.4803 3.4803 5.7817 5.7817 5.7982 5.7982 6.4531 6.4531 7.6708 7.6708 9.9405 9.9405 10.4847 10.4847 10.8417 10.8417 12.6491 12.6491 k =-0.1815 0.3307 0.8186 ( 3411 PWs) bands (ev): -32.4210 -32.4210 -13.7091 -13.7091 -13.3427 -13.3427 -13.3229 -13.3229 -1.1295 -1.1295 -0.0950 -0.0950 1.1502 1.1502 1.2060 1.2060 1.3286 1.3286 1.3707 1.3707 1.5279 1.5279 1.5642 1.5642 1.6485 1.6485 1.6865 1.6865 1.7675 1.7675 1.7894 1.7894 3.4390 3.4390 5.8183 5.8183 5.9025 5.9025 6.4830 6.4830 7.7698 7.7698 10.0160 10.0160 10.4862 10.4862 10.8192 10.8192 12.5818 12.5818 k =-0.1881 0.3428 0.8048 ( 3413 PWs) bands (ev): -32.4211 -32.4211 -13.7089 -13.7089 -13.3430 -13.3430 -13.3218 -13.3218 -1.1396 -1.1396 -0.1195 -0.1195 1.1559 1.1559 1.2098 1.2098 1.3243 1.3243 1.3672 1.3672 1.5288 1.5288 1.5670 1.5670 1.6445 1.6445 1.6815 1.6815 1.7623 1.7623 1.7850 1.7850 3.3990 3.3990 5.8480 5.8480 6.0090 6.0090 6.5122 6.5122 7.8782 7.8782 10.0935 10.0935 10.4878 10.4878 10.7954 10.7954 12.5095 12.5095 k =-0.1947 0.3549 0.7910 ( 3412 PWs) bands (ev): -32.4212 -32.4212 -13.7086 -13.7086 -13.3433 -13.3433 -13.3206 -13.3206 -1.1494 -1.1494 -0.1429 -0.1429 1.1616 1.1616 1.2133 1.2133 1.3199 1.3199 1.3642 1.3642 1.5297 1.5297 1.5700 1.5700 1.6406 1.6406 1.6765 1.6765 1.7561 1.7561 1.7823 1.7823 3.3605 3.3605 5.8721 5.8721 6.1160 6.1160 6.5413 6.5413 7.9953 7.9953 10.1730 10.1730 10.4891 10.4891 10.7701 10.7701 12.4326 12.4326 k =-0.2014 0.3670 0.7772 ( 3416 PWs) bands (ev): -32.4212 -32.4212 -13.7083 -13.7083 -13.3436 -13.3436 -13.3196 -13.3196 -1.1590 -1.1590 -0.1652 -0.1652 1.1674 1.1674 1.2167 1.2167 1.3154 1.3154 1.3616 1.3616 1.5307 1.5307 1.5732 1.5732 1.6369 1.6369 1.6718 1.6718 1.7496 1.7496 1.7803 1.7803 3.3238 3.3238 5.8913 5.8913 6.2213 6.2213 6.5715 6.5715 8.1204 8.1204 10.2540 10.2540 10.4897 10.4897 10.7429 10.7429 12.3522 12.3522 k =-0.2080 0.3791 0.7635 ( 3412 PWs) bands (ev): -32.4213 -32.4213 -13.7081 -13.7081 -13.3439 -13.3439 -13.3185 -13.3185 -1.1680 -1.1680 -0.1863 -0.1863 1.1731 1.1731 1.2199 1.2199 1.3109 1.3109 1.3595 1.3595 1.5316 1.5316 1.5766 1.5766 1.6335 1.6335 1.6673 1.6673 1.7434 1.7434 1.7786 1.7786 3.2891 3.2891 5.9063 5.9063 6.3218 6.3218 6.6053 6.6053 8.2525 8.2525 10.3362 10.3362 10.4894 10.4894 10.7135 10.7135 12.2702 12.2702 k =-0.2146 0.3912 0.7497 ( 3414 PWs) bands (ev): -32.4214 -32.4214 -13.7079 -13.7079 -13.3442 -13.3442 -13.3175 -13.3175 -1.1767 -1.1767 -0.2061 -0.2061 1.1787 1.1787 1.2229 1.2229 1.3063 1.3063 1.3576 1.3576 1.5325 1.5325 1.5800 1.5800 1.6303 1.6303 1.6631 1.6631 1.7374 1.7374 1.7769 1.7769 3.2566 3.2566 5.9178 5.9178 6.4115 6.4115 6.6477 6.6477 8.3908 8.3908 10.4186 10.4186 10.4886 10.4886 10.6814 10.6814 12.1889 12.1889 k =-0.2213 0.4032 0.7359 ( 3416 PWs) bands (ev): -32.4214 -32.4214 -13.7076 -13.7076 -13.3445 -13.3445 -13.3166 -13.3166 -1.1847 -1.1847 -0.2244 -0.2244 1.1843 1.1843 1.2258 1.2258 1.3019 1.3019 1.3558 1.3558 1.5334 1.5334 1.5835 1.5835 1.6275 1.6275 1.6593 1.6593 1.7319 1.7319 1.7751 1.7751 3.2264 3.2264 5.9264 5.9264 6.4827 6.4827 6.7056 6.7056 8.5345 8.5345 10.4766 10.4766 10.5107 10.5107 10.6466 10.6466 12.1111 12.1111 k =-0.2279 0.4153 0.7221 ( 3413 PWs) bands (ev): -32.4215 -32.4215 -13.7074 -13.7074 -13.3447 -13.3447 -13.3157 -13.3157 -1.1922 -1.1922 -0.2413 -0.2413 1.1896 1.1896 1.2285 1.2285 1.2976 1.2976 1.3542 1.3542 1.5342 1.5342 1.5869 1.5869 1.6251 1.6251 1.6560 1.6560 1.7269 1.7269 1.7733 1.7733 3.1986 3.1986 5.9327 5.9327 6.5321 6.5321 6.7812 6.7812 8.6824 8.6824 10.4742 10.4742 10.5815 10.5815 10.6189 10.6189 12.0364 12.0365 k =-0.2345 0.4274 0.7083 ( 3415 PWs) bands (ev): -32.4215 -32.4215 -13.7073 -13.7073 -13.3450 -13.3450 -13.3149 -13.3149 -1.1990 -1.1990 -0.2566 -0.2566 1.1947 1.1947 1.2311 1.2311 1.2935 1.2935 1.3527 1.3527 1.5350 1.5350 1.5899 1.5899 1.6230 1.6230 1.6532 1.6532 1.7223 1.7223 1.7714 1.7714 3.1734 3.1734 5.9372 5.9372 6.5647 6.5647 6.8682 6.8682 8.8335 8.8335 10.4639 10.4639 10.5630 10.5630 10.6836 10.6836 11.9059 11.9059 k =-0.2412 0.4395 0.6945 ( 3411 PWs) bands (ev): -32.4216 -32.4216 -13.7071 -13.7071 -13.3451 -13.3451 -13.3142 -13.3142 -1.2051 -1.2051 -0.2702 -0.2702 1.1996 1.1996 1.2335 1.2335 1.2896 1.2896 1.3513 1.3513 1.5357 1.5357 1.5925 1.5925 1.6215 1.6215 1.6511 1.6511 1.7182 1.7182 1.7694 1.7694 3.1509 3.1509 5.9403 5.9403 6.5872 6.5872 6.9583 6.9583 8.9866 8.9866 10.4442 10.4442 10.5294 10.5294 10.7689 10.7689 11.7608 11.7608 k =-0.2478 0.4516 0.6807 ( 3411 PWs) bands (ev): -32.4216 -32.4216 -13.7070 -13.7070 -13.3453 -13.3453 -13.3136 -13.3136 -1.2105 -1.2105 -0.2821 -0.2821 1.2040 1.2040 1.2357 1.2357 1.2860 1.2860 1.3500 1.3500 1.5364 1.5364 1.5945 1.5945 1.6204 1.6204 1.6495 1.6495 1.7146 1.7146 1.7675 1.7675 3.1311 3.1311 5.9424 5.9424 6.6037 6.6037 7.0460 7.0460 9.1400 9.1400 10.4105 10.4105 10.5061 10.5061 10.8550 10.8550 11.6106 11.6106 k =-0.2545 0.4637 0.6669 ( 3407 PWs) bands (ev): -32.4217 -32.4217 -13.7068 -13.7068 -13.3455 -13.3455 -13.3130 -13.3130 -1.2151 -1.2151 -0.2922 -0.2922 1.2081 1.2081 1.2377 1.2377 1.2826 1.2826 1.3489 1.3489 1.5369 1.5369 1.5958 1.5958 1.6198 1.6198 1.6486 1.6486 1.7115 1.7115 1.7656 1.7656 3.1143 3.1143 5.9436 5.9436 6.6161 6.6161 7.1272 7.1272 9.2913 9.2913 10.3670 10.3670 10.4929 10.4929 10.9402 10.9402 11.4593 11.4593 k =-0.2611 0.4758 0.6531 ( 3407 PWs) bands (ev): -32.4217 -32.4217 -13.7068 -13.7068 -13.3456 -13.3456 -13.3126 -13.3126 -1.2189 -1.2189 -0.3006 -0.3006 1.2116 1.2116 1.2395 1.2395 1.2797 1.2797 1.3479 1.3479 1.5374 1.5374 1.5965 1.5965 1.6194 1.6194 1.6482 1.6482 1.7090 1.7090 1.7639 1.7639 3.1004 3.1004 5.9444 5.9444 6.6255 6.6255 7.1988 7.1988 9.4371 9.4371 10.3218 10.3218 10.4849 10.4849 11.0226 11.0226 11.3125 11.3125 k =-0.2677 0.4879 0.6393 ( 3413 PWs) bands (ev): -32.4217 -32.4217 -13.7067 -13.7067 -13.3457 -13.3457 -13.3122 -13.3122 -1.2219 -1.2219 -0.3071 -0.3071 1.2144 1.2144 1.2410 1.2410 1.2772 1.2772 1.3470 1.3470 1.5377 1.5377 1.5968 1.5968 1.6192 1.6192 1.6482 1.6482 1.7070 1.7070 1.7624 1.7624 3.0895 3.0895 5.9448 5.9448 6.6325 6.6325 7.2580 7.2580 9.5717 9.5717 10.2809 10.2809 10.4798 10.4798 11.0921 11.0921 11.1846 11.1846 k =-0.2744 0.5000 0.6255 ( 3415 PWs) bands (ev): -32.4217 -32.4217 -13.7066 -13.7066 -13.3458 -13.3458 -13.3120 -13.3120 -1.2240 -1.2240 -0.3118 -0.3118 1.2166 1.2166 1.2421 1.2421 1.2752 1.2752 1.3464 1.3464 1.5380 1.5380 1.5969 1.5969 1.6191 1.6191 1.6484 1.6484 1.7055 1.7055 1.7613 1.7613 3.0817 3.0817 5.9450 5.9450 6.6372 6.6372 7.3023 7.3023 9.6859 9.6859 10.2485 10.2485 10.4766 10.4766 11.0442 11.0442 11.1861 11.1861 k =-0.2810 0.5121 0.6117 ( 3409 PWs) bands (ev): -32.4217 -32.4217 -13.7066 -13.7066 -13.3458 -13.3458 -13.3118 -13.3118 -1.2253 -1.2253 -0.3147 -0.3147 1.2180 1.2180 1.2429 1.2429 1.2740 1.2740 1.3460 1.3460 1.5382 1.5382 1.5969 1.5969 1.6190 1.6190 1.6487 1.6487 1.7046 1.7046 1.7606 1.7606 3.0770 3.0770 5.9450 5.9450 6.6400 6.6400 7.3298 7.3298 9.7658 9.7658 10.2278 10.2278 10.4750 10.4750 10.9659 10.9659 11.2354 11.2354 k =-0.2876 0.5242 0.5979 ( 3409 PWs) bands (ev): -32.4217 -32.4217 -13.7066 -13.7066 -13.3458 -13.3458 -13.3117 -13.3117 -1.2258 -1.2258 -0.3156 -0.3156 1.2185 1.2185 1.2431 1.2431 1.2735 1.2735 1.3459 1.3459 1.5383 1.5383 1.5969 1.5969 1.6190 1.6190 1.6488 1.6488 1.7043 1.7043 1.7604 1.7604 3.0754 3.0754 5.9451 5.9451 6.6410 6.6410 7.3392 7.3392 9.7950 9.7950 10.2207 10.2207 10.4746 10.4746 10.9363 10.9363 11.2556 11.2556 k =-0.2876 0.5242 0.5979 ( 3409 PWs) bands (ev): -32.4217 -32.4217 -13.7066 -13.7066 -13.3458 -13.3458 -13.3117 -13.3117 -1.2258 -1.2258 -0.3156 -0.3156 1.2185 1.2185 1.2431 1.2431 1.2735 1.2735 1.3459 1.3459 1.5383 1.5383 1.5969 1.5969 1.6190 1.6190 1.6488 1.6488 1.7043 1.7043 1.7604 1.7604 3.0754 3.0754 5.9451 5.9451 6.6410 6.6410 7.3392 7.3392 9.7950 9.7950 10.2207 10.2207 10.4746 10.4746 10.9363 10.9363 11.2556 11.2556 k =-0.2810 0.5120 0.5840 ( 3409 PWs) bands (ev): -32.4217 -32.4217 -13.7068 -13.7068 -13.3462 -13.3462 -13.3117 -13.3117 -1.2397 -1.2397 -0.2677 -0.2677 1.2209 1.2209 1.2480 1.2480 1.2812 1.2812 1.3442 1.3442 1.5438 1.5438 1.5962 1.5962 1.6182 1.6182 1.6427 1.6427 1.7156 1.7156 1.7525 1.7525 3.0521 3.0521 5.8492 5.8492 6.5750 6.5750 7.3723 7.3723 9.7033 9.7033 10.3022 10.3022 10.5258 10.5258 10.8880 10.8880 11.3327 11.3327 k =-0.2743 0.4998 0.5701 ( 3407 PWs) bands (ev): -32.4217 -32.4217 -13.7070 -13.7070 -13.3465 -13.3465 -13.3117 -13.3117 -1.2566 -1.2566 -0.2211 -0.2211 1.2227 1.2227 1.2518 1.2518 1.2890 1.2890 1.3417 1.3417 1.5476 1.5476 1.5963 1.5963 1.6180 1.6180 1.6363 1.6363 1.7251 1.7251 1.7495 1.7495 3.0379 3.0379 5.7564 5.7564 6.5107 6.5107 7.4057 7.4057 9.6089 9.6089 10.3838 10.3838 10.5817 10.5817 10.8415 10.8415 11.4119 11.4119 k =-0.2676 0.4876 0.5562 ( 3415 PWs) bands (ev): -32.4217 -32.4217 -13.7071 -13.7071 -13.3467 -13.3467 -13.3117 -13.3117 -1.2765 -1.2765 -0.1759 -0.1759 1.2237 1.2237 1.2547 1.2547 1.2963 1.2963 1.3386 1.3386 1.5497 1.5497 1.5977 1.5977 1.6182 1.6182 1.6300 1.6300 1.7208 1.7208 1.7639 1.7639 3.0322 3.0322 5.6671 5.6671 6.4488 6.4488 7.4391 7.4391 9.5128 9.5128 10.4647 10.4647 10.6418 10.6418 10.7972 10.7972 11.4928 11.4928 k =-0.2609 0.4754 0.5423 ( 3419 PWs) bands (ev): -32.4216 -32.4216 -13.7072 -13.7072 -13.3469 -13.3469 -13.3117 -13.3117 -1.2992 -1.2992 -0.1325 -0.1325 1.2241 1.2241 1.2569 1.2569 1.3022 1.3022 1.3356 1.3356 1.5502 1.5502 1.6006 1.6006 1.6184 1.6184 1.6239 1.6239 1.7101 1.7101 1.7887 1.7887 3.0342 3.0342 5.5813 5.5813 6.3897 6.3897 7.4727 7.4727 9.4155 9.4155 10.5441 10.5441 10.7049 10.7049 10.7560 10.7560 11.5751 11.5751 k =-0.2542 0.4632 0.5284 ( 3435 PWs) bands (ev): -32.4217 -32.4217 -13.7073 -13.7073 -13.3470 -13.3470 -13.3118 -13.3118 -1.3249 -1.3249 -0.0910 -0.0910 1.2237 1.2237 1.2584 1.2584 1.3055 1.3055 1.3338 1.3338 1.5498 1.5498 1.6043 1.6043 1.6162 1.6162 1.6206 1.6206 1.6986 1.6986 1.8187 1.8187 3.0430 3.0430 5.4994 5.4994 6.3339 6.3339 7.5064 7.5064 9.3177 9.3177 10.6208 10.6208 10.7113 10.7113 10.7779 10.7779 11.6585 11.6586 k =-0.2475 0.4510 0.5145 ( 3437 PWs) bands (ev): -32.4217 -32.4217 -13.7073 -13.7073 -13.3470 -13.3470 -13.3118 -13.3118 -1.3532 -1.3532 -0.0516 -0.0516 1.2226 1.2226 1.2594 1.2594 1.3049 1.3049 1.3343 1.3343 1.5491 1.5491 1.6060 1.6060 1.6136 1.6136 1.6206 1.6206 1.6880 1.6880 1.8530 1.8530 3.0577 3.0577 5.4216 5.4216 6.2820 6.2820 7.5403 7.5403 9.2197 9.2197 10.6733 10.6733 10.6939 10.6939 10.8500 10.8500 11.7428 11.7428 k =-0.2408 0.4388 0.5006 ( 3435 PWs) bands (ev): -32.4217 -32.4217 -13.7072 -13.7072 -13.3469 -13.3469 -13.3117 -13.3117 -1.3841 -1.3841 -0.0145 -0.0145 1.2207 1.2207 1.2598 1.2598 1.3010 1.3010 1.3365 1.3365 1.5488 1.5488 1.6008 1.6008 1.6180 1.6180 1.6207 1.6207 1.6791 1.6791 1.8911 1.8911 3.0774 3.0774 5.3482 5.3482 6.2346 6.2346 7.5745 7.5745 9.1221 9.1221 10.6369 10.6369 10.7614 10.7614 10.9270 10.9270 11.8274 11.8274 k =-0.2341 0.4267 0.4867 ( 3429 PWs) bands (ev): -32.4217 -32.4217 -13.7071 -13.7071 -13.3467 -13.3467 -13.3117 -13.3117 -1.4175 -1.4175 0.0202 0.0202 1.2181 1.2181 1.2597 1.2597 1.2951 1.2951 1.3391 1.3391 1.5492 1.5492 1.5937 1.5937 1.6205 1.6205 1.6243 1.6243 1.6725 1.6725 1.9325 1.9325 3.1010 3.1010 5.2794 5.2794 6.1921 6.1921 7.6089 7.6089 9.0250 9.0250 10.6020 10.6020 10.8228 10.8228 11.0074 11.0074 11.9120 11.9120 k =-0.2274 0.4145 0.4728 ( 3425 PWs) bands (ev): -32.4217 -32.4217 -13.7069 -13.7069 -13.3464 -13.3464 -13.3117 -13.3117 -1.4530 -1.4530 0.0524 0.0524 1.2147 1.2147 1.2591 1.2591 1.2881 1.2881 1.3412 1.3412 1.5505 1.5505 1.5861 1.5861 1.6198 1.6198 1.6311 1.6311 1.6687 1.6687 1.9769 1.9769 3.1278 3.1278 5.2158 5.2158 6.1551 6.1551 7.6435 7.6435 8.9289 8.9289 10.5689 10.5689 10.8769 10.8769 11.0905 11.0905 11.9957 11.9957 k =-0.2207 0.4023 0.4589 ( 3429 PWs) bands (ev): -32.4217 -32.4217 -13.7067 -13.7067 -13.3461 -13.3461 -13.3117 -13.3117 -1.4905 -1.4905 0.0819 0.0819 1.2108 1.2108 1.2577 1.2577 1.2807 1.2807 1.3425 1.3425 1.5527 1.5527 1.5784 1.5784 1.6187 1.6187 1.6377 1.6377 1.6678 1.6678 2.0236 2.0236 3.1568 3.1568 5.1575 5.1575 6.1241 6.1241 7.6785 7.6785 8.8338 8.8338 10.5375 10.5375 10.9226 10.9226 11.1754 11.1754 12.0779 12.0779 k =-0.2141 0.3901 0.4450 ( 3425 PWs) bands (ev): -32.4217 -32.4217 -13.7065 -13.7065 -13.3457 -13.3457 -13.3116 -13.3116 -1.5297 -1.5297 0.1089 0.1089 1.2063 1.2063 1.2554 1.2554 1.2733 1.2733 1.3429 1.3429 1.5555 1.5555 1.5711 1.5711 1.6179 1.6179 1.6436 1.6436 1.6697 1.6697 2.0723 2.0723 3.1872 3.1872 5.1052 5.1052 6.0997 6.0997 7.7137 7.7137 8.7401 8.7401 10.5078 10.5078 10.9585 10.9585 11.2613 11.2613 12.1574 12.1574 k =-0.2074 0.3779 0.4311 ( 3415 PWs) bands (ev): -32.4218 -32.4218 -13.7062 -13.7062 -13.3451 -13.3451 -13.3116 -13.3116 -1.5704 -1.5704 0.1334 0.1334 1.2014 1.2014 1.2522 1.2522 1.2663 1.2663 1.3427 1.3427 1.5565 1.5565 1.5665 1.5665 1.6176 1.6176 1.6487 1.6487 1.6743 1.6743 2.1222 2.1222 3.2182 3.2182 5.0593 5.0593 6.0823 6.0823 7.7493 7.7493 8.6478 8.6478 10.4797 10.4797 10.9833 10.9833 11.3476 11.3476 12.2330 12.2330 k =-0.2007 0.3657 0.4171 ( 3411 PWs) bands (ev): -32.4218 -32.4218 -13.7058 -13.7058 -13.3446 -13.3446 -13.3116 -13.3116 -1.6124 -1.6124 0.1554 0.1554 1.1960 1.1960 1.2478 1.2478 1.2598 1.2598 1.3419 1.3419 1.5523 1.5523 1.5678 1.5678 1.6182 1.6182 1.6528 1.6528 1.6809 1.6809 2.1728 2.1728 3.2491 3.2491 5.0204 5.0204 6.0724 6.0724 7.7853 7.7853 8.5572 8.5572 10.4531 10.4531 10.9960 10.9960 11.4337 11.4337 12.3028 12.3028 k =-0.1940 0.3535 0.4032 ( 3409 PWs) bands (ev): -32.4219 -32.4219 -13.7055 -13.7055 -13.3440 -13.3440 -13.3115 -13.3115 -1.6553 -1.6553 0.1749 0.1749 1.1904 1.1904 1.2421 1.2421 1.2541 1.2541 1.3407 1.3407 1.5462 1.5462 1.5715 1.5715 1.6202 1.6202 1.6565 1.6565 1.6889 1.6889 2.2231 2.2231 3.2791 3.2791 4.9890 4.9890 6.0706 6.0706 7.8216 7.8216 8.4684 8.4684 10.4280 10.4280 10.9963 10.9963 11.5193 11.5193 12.3650 12.3650 k =-0.1873 0.3413 0.3893 ( 3413 PWs) bands (ev): -32.4219 -32.4219 -13.7051 -13.7051 -13.3433 -13.3433 -13.3115 -13.3115 -1.6989 -1.6989 0.1921 0.1921 1.1846 1.1846 1.2354 1.2354 1.2488 1.2488 1.3394 1.3394 1.5403 1.5403 1.5753 1.5753 1.6236 1.6236 1.6598 1.6598 1.6978 1.6978 2.2724 2.2724 3.3077 3.3077 4.9657 4.9657 6.0770 6.0770 7.8582 7.8582 8.3815 8.3815 10.4043 10.4043 10.9843 10.9843 11.6038 11.6038 12.4168 12.4168 k =-0.1806 0.3291 0.3754 ( 3413 PWs) bands (ev): -32.4220 -32.4220 -13.7047 -13.7047 -13.3426 -13.3426 -13.3114 -13.3114 -1.7429 -1.7429 0.2072 0.2072 1.1787 1.1787 1.2283 1.2283 1.2435 1.2435 1.3379 1.3379 1.5349 1.5349 1.5785 1.5785 1.6286 1.6286 1.6630 1.6630 1.7074 1.7074 2.3200 2.3200 3.3345 3.3345 4.9511 4.9511 6.0922 6.0922 7.8951 7.8951 8.2966 8.2966 10.3818 10.3818 10.9610 10.9610 11.6869 11.6869 12.4554 12.4554 k =-0.1739 0.3169 0.3615 ( 3415 PWs) bands (ev): -32.4221 -32.4221 -13.7042 -13.7042 -13.3418 -13.3418 -13.3114 -13.3114 -1.7872 -1.7872 0.2202 0.2202 1.1728 1.1728 1.2210 1.2210 1.2382 1.2382 1.3366 1.3366 1.5302 1.5302 1.5812 1.5812 1.6349 1.6349 1.6662 1.6662 1.7173 1.7173 2.3649 2.3649 3.3589 3.3589 4.9460 4.9460 6.1163 6.1163 7.9324 7.9324 8.2139 8.2139 10.3605 10.3605 10.9277 10.9277 11.7681 11.7681 12.4783 12.4783 k =-0.1672 0.3048 0.3476 ( 3421 PWs) bands (ev): -32.4221 -32.4221 -13.7038 -13.7038 -13.3411 -13.3411 -13.3113 -13.3113 -1.8314 -1.8314 0.2313 0.2313 1.1669 1.1669 1.2135 1.2135 1.2327 1.2327 1.3353 1.3353 1.5262 1.5262 1.5834 1.5834 1.6422 1.6422 1.6694 1.6694 1.7276 1.7276 2.4066 2.4066 3.3807 3.3807 4.9507 4.9507 6.1494 6.1494 7.9699 7.9699 8.1335 8.1335 10.3402 10.3402 10.8860 10.8860 11.8468 11.8468 12.4839 12.4839 k =-0.1605 0.2926 0.3337 ( 3419 PWs) bands (ev): -32.4222 -32.4222 -13.7033 -13.7033 -13.3402 -13.3402 -13.3112 -13.3112 -1.8754 -1.8754 0.2406 0.2406 1.1612 1.1612 1.2060 1.2060 1.2270 1.2270 1.3341 1.3341 1.5231 1.5231 1.5853 1.5853 1.6503 1.6503 1.6726 1.6726 1.7381 1.7381 2.4442 2.4442 3.3997 3.3997 4.9658 4.9658 6.1916 6.1916 8.0076 8.0076 8.0554 8.0554 10.3208 10.3208 10.8376 10.8376 11.9226 11.9226 12.4717 12.4717 k =-0.1539 0.2804 0.3198 ( 3419 PWs) bands (ev): -32.4223 -32.4223 -13.7028 -13.7028 -13.3394 -13.3394 -13.3110 -13.3110 -1.9190 -1.9190 0.2483 0.2483 1.1556 1.1556 1.1983 1.1983 1.2213 1.2213 1.3330 1.3330 1.5208 1.5208 1.5871 1.5871 1.6586 1.6586 1.6758 1.6758 1.7488 1.7488 2.4773 2.4773 3.4158 3.4158 4.9916 4.9916 6.2427 6.2427 7.9795 7.9795 8.0459 8.0459 10.3021 10.3021 10.7840 10.7840 11.9947 11.9947 12.4427 12.4427 k =-0.1472 0.2682 0.3059 ( 3423 PWs) bands (ev): -32.4224 -32.4224 -13.7023 -13.7023 -13.3386 -13.3386 -13.3108 -13.3108 -1.9619 -1.9619 0.2545 0.2545 1.1502 1.1502 1.1906 1.1906 1.2155 1.2155 1.3320 1.3320 1.5192 1.5192 1.5889 1.5889 1.6669 1.6669 1.6793 1.6793 1.7596 1.7596 2.5054 2.5054 3.4289 3.4289 5.0283 5.0283 6.3028 6.3028 7.9064 7.9064 8.0840 8.0840 10.2839 10.2839 10.7266 10.7266 12.0626 12.0626 12.3983 12.3983 k =-0.1405 0.2560 0.2920 ( 3429 PWs) bands (ev): -32.4225 -32.4225 -13.7018 -13.7018 -13.3378 -13.3378 -13.3106 -13.3106 -2.0040 -2.0040 0.2593 0.2593 1.1450 1.1450 1.1829 1.1829 1.2098 1.2098 1.3310 1.3310 1.5185 1.5185 1.5906 1.5906 1.6745 1.6745 1.6834 1.6834 1.7705 1.7705 2.5284 2.5284 3.4393 3.4393 5.0759 5.0759 6.3713 6.3713 7.8358 7.8358 8.1221 8.1221 10.2661 10.2661 10.6665 10.6665 12.1252 12.1252 12.3402 12.3402 k =-0.1338 0.2438 0.2781 ( 3429 PWs) bands (ev): -32.4225 -32.4225 -13.7012 -13.7012 -13.3370 -13.3370 -13.3103 -13.3103 -2.0451 -2.0451 0.2630 0.2630 1.1401 1.1401 1.1751 1.1751 1.2043 1.2043 1.3302 1.3302 1.5186 1.5186 1.5925 1.5925 1.6804 1.6804 1.6891 1.6891 1.7813 1.7813 2.5462 2.5462 3.4471 3.4471 5.1341 5.1341 6.4481 6.4481 7.7679 7.7679 8.1603 8.1603 10.2483 10.2483 10.6046 10.6046 12.1799 12.1799 12.2715 12.2715 k =-0.1271 0.2316 0.2642 ( 3431 PWs) bands (ev): -32.4226 -32.4226 -13.7007 -13.7007 -13.3363 -13.3363 -13.3100 -13.3100 -2.0850 -2.0850 0.2657 0.2657 1.1353 1.1353 1.1672 1.1672 1.1989 1.1989 1.3294 1.3294 1.5194 1.5194 1.5944 1.5944 1.6845 1.6845 1.6964 1.6964 1.7921 1.7921 2.5590 2.5590 3.4525 3.4525 5.2025 5.2025 6.5326 6.5326 7.7027 7.7027 8.1984 8.1984 10.2302 10.2302 10.5416 10.5416 12.1763 12.1763 12.2426 12.2426 k =-0.1204 0.2194 0.2503 ( 3423 PWs) bands (ev): -32.4227 -32.4227 -13.7002 -13.7002 -13.3355 -13.3355 -13.3096 -13.3096 -2.1237 -2.1237 0.2674 0.2674 1.1307 1.1307 1.1593 1.1593 1.1938 1.1938 1.3286 1.3286 1.5210 1.5210 1.5965 1.5965 1.6877 1.6877 1.7043 1.7043 1.8029 1.8029 2.5672 2.5672 3.4557 3.4557 5.2807 5.2807 6.6245 6.6245 7.6404 7.6404 8.2362 8.2362 10.2115 10.2115 10.4782 10.4782 12.0873 12.0873 12.2801 12.2801 k =-0.1137 0.2072 0.2364 ( 3427 PWs) bands (ev): -32.4228 -32.4228 -13.6997 -13.6997 -13.3349 -13.3349 -13.3092 -13.3092 -2.1609 -2.1609 0.2684 0.2684 1.1263 1.1263 1.1514 1.1514 1.1890 1.1890 1.3278 1.3278 1.5231 1.5231 1.5986 1.5986 1.6905 1.6905 1.7122 1.7122 1.8134 1.8134 2.5711 2.5711 3.4570 3.4570 5.3680 5.3680 6.7232 6.7232 7.5809 7.5809 8.2736 8.2736 10.1916 10.1916 10.4146 10.4146 11.9847 11.9847 12.3112 12.3112 k =-0.1070 0.1950 0.2225 ( 3423 PWs) bands (ev): -32.4229 -32.4229 -13.6992 -13.6992 -13.3342 -13.3342 -13.3088 -13.3088 -2.1966 -2.1966 0.2687 0.2687 1.1221 1.1221 1.1436 1.1436 1.1845 1.1845 1.3271 1.3271 1.5259 1.5259 1.6009 1.6009 1.6931 1.6931 1.7199 1.7199 1.8237 1.8237 2.5713 2.5713 3.4567 3.4567 5.4635 5.4635 6.8283 6.8283 7.5245 7.5245 8.3106 8.3106 10.1702 10.1702 10.3513 10.3513 11.8731 11.8731 12.3295 12.3295 k =-0.1003 0.1829 0.2086 ( 3431 PWs) bands (ev): -32.4229 -32.4229 -13.6987 -13.6987 -13.3337 -13.3337 -13.3083 -13.3083 -2.2306 -2.2306 0.2683 0.2683 1.1181 1.1181 1.1359 1.1359 1.1803 1.1803 1.3264 1.3264 1.5291 1.5291 1.6032 1.6032 1.6956 1.6956 1.7274 1.7274 1.8336 1.8336 2.5682 2.5682 3.4551 3.4551 5.5665 5.5665 6.9391 6.9391 7.4711 7.4711 8.3468 8.3468 10.1463 10.1463 10.2883 10.2883 11.7545 11.7545 12.3301 12.3301 k =-0.0937 0.1707 0.1947 ( 3427 PWs) bands (ev): -32.4230 -32.4230 -13.6983 -13.6983 -13.3331 -13.3331 -13.3077 -13.3077 -2.2628 -2.2628 0.2676 0.2676 1.1144 1.1144 1.1284 1.1284 1.1764 1.1764 1.3257 1.3257 1.5328 1.5328 1.6056 1.6056 1.6979 1.6979 1.7346 1.7346 1.8432 1.8432 2.5625 2.5625 3.4525 3.4525 5.6760 5.6760 7.0550 7.0550 7.4209 7.4209 8.3823 8.3823 10.1190 10.1190 10.2258 10.2258 11.6312 11.6312 12.3080 12.3080 k =-0.0870 0.1585 0.1808 ( 3431 PWs) bands (ev): -32.4231 -32.4231 -13.6978 -13.6978 -13.3327 -13.3327 -13.3072 -13.3072 -2.2932 -2.2932 0.2665 0.2665 1.1109 1.1109 1.1210 1.1210 1.1728 1.1728 1.3250 1.3250 1.5367 1.5367 1.6082 1.6082 1.7000 1.7000 1.7415 1.7415 1.8522 1.8522 2.5546 2.5546 3.4491 3.4491 5.7911 5.7911 7.1753 7.1753 7.3743 7.3743 8.4167 8.4167 10.0873 10.0873 10.1637 10.1637 11.5055 11.5055 12.2595 12.2595 k =-0.0803 0.1463 0.1669 ( 3435 PWs) bands (ev): -32.4232 -32.4232 -13.6974 -13.6974 -13.3323 -13.3323 -13.3067 -13.3067 -2.3216 -2.3216 0.2650 0.2650 1.1075 1.1075 1.1140 1.1140 1.1695 1.1695 1.3244 1.3244 1.5408 1.5408 1.6108 1.6108 1.7020 1.7020 1.7480 1.7480 1.8607 1.8607 2.5451 2.5451 3.4451 3.4451 5.9108 5.9108 7.2948 7.2948 7.3357 7.3357 8.4500 8.4500 10.0495 10.0495 10.1019 10.1019 11.3806 11.3806 12.1855 12.1855 k =-0.0736 0.1341 0.1530 ( 3435 PWs) bands (ev): -32.4232 -32.4232 -13.6970 -13.6970 -13.3319 -13.3319 -13.3061 -13.3061 -2.3480 -2.3480 0.2634 0.2634 1.1043 1.1043 1.1075 1.1075 1.1665 1.1665 1.3237 1.3237 1.5449 1.5449 1.6135 1.6135 1.7038 1.7038 1.7543 1.7543 1.8687 1.8687 2.5346 2.5346 3.4407 3.4407 6.0340 6.0340 7.2868 7.2868 7.4314 7.4314 8.4818 8.4818 10.0041 10.0041 10.0405 10.0405 11.2596 11.2596 12.0916 12.0916 k =-0.0669 0.1219 0.1390 ( 3437 PWs) bands (ev): -32.4233 -32.4233 -13.6967 -13.6967 -13.3316 -13.3316 -13.3055 -13.3055 -2.3724 -2.3724 0.2617 0.2617 1.1002 1.1002 1.1024 1.1024 1.1639 1.1639 1.3232 1.3232 1.5490 1.5490 1.6162 1.6162 1.7055 1.7055 1.7602 1.7602 1.8760 1.8760 2.5234 2.5234 3.4362 3.4362 6.1595 6.1595 7.2503 7.2503 7.5616 7.5616 8.5120 8.5120 9.9499 9.9499 9.9785 9.9785 11.1459 11.1459 11.9850 11.9850 k =-0.0602 0.1097 0.1251 ( 3441 PWs) bands (ev): -32.4234 -32.4234 -13.6963 -13.6963 -13.3314 -13.3314 -13.3050 -13.3050 -2.3945 -2.3945 0.2600 0.2600 1.0947 1.0947 1.0994 1.0994 1.1615 1.1615 1.3226 1.3226 1.5529 1.5529 1.6190 1.6190 1.7070 1.7070 1.7657 1.7657 1.8827 1.8827 2.5119 2.5119 3.4317 3.4317 6.2859 6.2859 7.2166 7.2166 7.6945 7.6945 8.5404 8.5404 9.8874 9.8874 9.9142 9.9142 11.0425 11.0425 11.8724 11.8724 k =-0.0535 0.0975 0.1112 ( 3445 PWs) bands (ev): -32.4234 -32.4234 -13.6961 -13.6961 -13.3312 -13.3312 -13.3045 -13.3045 -2.4145 -2.4145 0.2583 0.2583 1.0893 1.0893 1.0970 1.0970 1.1594 1.1594 1.3221 1.3221 1.5565 1.5565 1.6217 1.6217 1.7084 1.7084 1.7708 1.7708 1.8886 1.8886 2.5006 2.5006 3.4273 3.4273 6.4118 6.4118 7.1862 7.1862 7.8285 7.8285 8.5669 8.5669 9.8171 9.8171 9.8459 9.8459 10.9520 10.9520 11.7593 11.7593 k =-0.0468 0.0853 0.0973 ( 3449 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3310 -13.3310 -13.3040 -13.3040 -2.4323 -2.4323 0.2566 0.2566 1.0844 1.0844 1.0948 1.0948 1.1575 1.1575 1.3217 1.3217 1.5600 1.5600 1.6243 1.6243 1.7096 1.7096 1.7756 1.7756 1.8938 1.8938 2.4898 2.4898 3.4232 3.4232 6.5352 6.5352 7.1592 7.1592 7.9625 7.9625 8.5912 8.5912 9.7390 9.7390 9.7744 9.7744 10.8754 10.8754 11.6500 11.6500 k =-0.0401 0.0731 0.0834 ( 3453 PWs) bands (ev): -32.4235 -32.4235 -13.6956 -13.6956 -13.3308 -13.3308 -13.3036 -13.3036 -2.4477 -2.4477 0.2550 0.2550 1.0801 1.0801 1.0931 1.0931 1.1559 1.1559 1.3212 1.3212 1.5629 1.5629 1.6269 1.6269 1.7107 1.7107 1.7799 1.7799 1.8982 1.8982 2.4798 2.4798 3.4194 3.4194 6.6537 6.6537 7.1357 7.1357 8.0950 8.0950 8.6134 8.6134 9.6548 9.6548 9.7002 9.7002 10.8130 10.8130 11.5481 11.5481 k =-0.0334 0.0610 0.0695 ( 3453 PWs) bands (ev): -32.4236 -32.4236 -13.6954 -13.6954 -13.3307 -13.3307 -13.3032 -13.3032 -2.4609 -2.4609 0.2536 0.2536 1.0764 1.0764 1.0915 1.0915 1.1546 1.1546 1.3209 1.3209 1.5655 1.5655 1.6292 1.6292 1.7116 1.7116 1.7836 1.7836 1.9020 1.9020 2.4709 2.4709 3.4160 3.4160 6.7646 6.7646 7.1158 7.1158 8.2237 8.2237 8.6336 8.6336 9.5684 9.5684 9.6236 9.6236 10.7638 10.7638 11.4567 11.4567 k =-0.0268 0.0488 0.0556 ( 3447 PWs) bands (ev): -32.4236 -32.4236 -13.6952 -13.6952 -13.3306 -13.3306 -13.3028 -13.3028 -2.4717 -2.4717 0.2525 0.2525 1.0734 1.0734 1.0904 1.0904 1.1535 1.1535 1.3206 1.3206 1.5676 1.5676 1.6313 1.6313 1.7123 1.7123 1.7869 1.7869 1.9049 1.9049 2.4633 2.4633 3.4132 3.4132 6.8645 6.8645 7.0995 7.0995 8.3454 8.3454 8.6524 8.6524 9.4853 9.4853 9.5453 9.5453 10.7264 10.7264 11.3784 11.3784 k =-0.0201 0.0366 0.0417 ( 3453 PWs) bands (ev): -32.4236 -32.4236 -13.6951 -13.6951 -13.3306 -13.3306 -13.3026 -13.3026 -2.4801 -2.4801 0.2515 0.2515 1.0710 1.0710 1.0894 1.0894 1.1526 1.1526 1.3204 1.3204 1.5693 1.5693 1.6329 1.6329 1.7129 1.7129 1.7894 1.7894 1.9071 1.9071 2.4572 2.4572 3.4110 3.4110 6.9491 6.9491 7.0869 7.0869 8.4539 8.4539 8.6716 8.6716 9.4115 9.4115 9.4677 9.4677 10.6990 10.6990 11.3154 11.3154 k =-0.0134 0.0244 0.0278 ( 3453 PWs) bands (ev): -32.4236 -32.4236 -13.6950 -13.6950 -13.3305 -13.3305 -13.3024 -13.3024 -2.4861 -2.4861 0.2509 0.2509 1.0692 1.0692 1.0887 1.0887 1.1520 1.1520 1.3202 1.3202 1.5704 1.5704 1.6342 1.6342 1.7133 1.7133 1.7913 1.7913 1.9087 1.9087 2.4527 2.4527 3.4093 3.4093 7.0138 7.0138 7.0782 7.0782 8.5386 8.5386 8.6948 8.6948 9.3531 9.3531 9.3965 9.3965 10.6805 10.6805 11.2693 11.2693 k =-0.0067 0.0122 0.0139 ( 3453 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4897 -2.4897 0.2505 0.2505 1.0682 1.0682 1.0884 1.0884 1.1517 1.1517 1.3201 1.3201 1.5711 1.5711 1.6349 1.6349 1.7136 1.7136 1.7924 1.7924 1.9097 1.9097 2.4499 2.4499 3.4084 3.4084 7.0531 7.0531 7.0746 7.0746 8.5872 8.5872 8.7223 8.7223 9.3156 9.3156 9.3426 9.3426 10.6698 10.6698 11.2411 11.2411 k = 0.0000 0.0000 0.0000 ( 3463 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4909 -2.4909 0.2503 0.2503 1.0678 1.0678 1.0881 1.0881 1.1515 1.1515 1.3201 1.3201 1.5713 1.5713 1.6351 1.6351 1.7136 1.7136 1.7928 1.7928 1.9100 1.9100 2.4490 2.4490 3.4080 3.4080 7.0628 7.0628 7.0772 7.0772 8.6013 8.6013 8.7365 8.7365 9.3028 9.3028 9.3216 9.3216 10.6663 10.6663 11.2317 11.2317 k = 0.0000 0.0000 0.0000 ( 3463 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4909 -2.4909 0.2503 0.2503 1.0678 1.0678 1.0881 1.0881 1.1515 1.1515 1.3201 1.3201 1.5713 1.5713 1.6351 1.6351 1.7136 1.7136 1.7928 1.7928 1.9100 1.9100 2.4490 2.4490 3.4080 3.4080 7.0628 7.0628 7.0772 7.0772 8.6013 8.6013 8.7365 8.7365 9.3028 9.3028 9.3216 9.3216 10.6663 10.6663 11.2317 11.2317 k = 0.0172 0.0095-0.0000 ( 3455 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4895 -2.4895 0.2477 0.2477 1.0679 1.0679 1.0882 1.0882 1.1515 1.1515 1.3201 1.3201 1.5712 1.5712 1.6352 1.6352 1.7136 1.7136 1.7928 1.7928 1.9098 1.9098 2.4356 2.4356 3.4268 3.4268 7.0605 7.0605 7.0752 7.0752 8.6057 8.6057 8.7407 8.7407 9.2364 9.2364 9.3907 9.3907 10.6511 10.6511 11.2483 11.2483 k = 0.0345 0.0189-0.0000 ( 3451 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4854 -2.4854 0.2398 0.2398 1.0681 1.0681 1.0882 1.0882 1.1516 1.1516 1.3200 1.3200 1.5706 1.5706 1.6352 1.6352 1.7135 1.7135 1.7928 1.7928 1.9090 1.9090 2.3984 2.3984 3.4803 3.4803 7.0537 7.0537 7.0692 7.0692 8.6188 8.6188 8.7530 8.7530 9.1643 9.1643 9.4710 9.4710 10.6100 10.6100 11.2934 11.2934 k = 0.0517 0.0284-0.0000 ( 3451 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3305 -13.3305 -13.3022 -13.3022 -2.4784 -2.4784 0.2266 0.2266 1.0684 1.0684 1.0883 1.0883 1.1516 1.1516 1.3199 1.3199 1.5695 1.5695 1.6351 1.6351 1.7133 1.7133 1.7928 1.7928 1.9075 1.9075 2.3446 2.3446 3.5615 3.5615 7.0427 7.0427 7.0595 7.0595 8.6403 8.6403 8.7732 8.7732 9.0947 9.0947 9.5543 9.5543 10.5522 10.5522 11.3577 11.3577 k = 0.0690 0.0378-0.0000 ( 3450 PWs) bands (ev): -32.4236 -32.4236 -13.6949 -13.6949 -13.3306 -13.3306 -13.3022 -13.3022 -2.4687 -2.4687 0.2081 0.2081 1.0688 1.0688 1.0883 1.0883 1.1517 1.1517 1.3197 1.3197 1.5680 1.5680 1.6351 1.6351 1.7130 1.7130 1.7928 1.7928 1.9052 1.9052 2.2814 2.2814 3.6633 3.6633 7.0279 7.0279 7.0463 7.0463 8.6697 8.6697 8.8010 8.8010 9.0279 9.0279 9.6403 9.6403 10.4852 10.4852 11.4330 11.4330 k = 0.0862 0.0473-0.0000 ( 3458 PWs) bands (ev): -32.4236 -32.4236 -13.6950 -13.6950 -13.3306 -13.3306 -13.3022 -13.3022 -2.4561 -2.4561 0.1843 0.1843 1.0691 1.0691 1.0883 1.0883 1.1518 1.1518 1.3195 1.3195 1.5658 1.5658 1.6350 1.6350 1.7126 1.7126 1.7927 1.7927 1.9016 1.9016 2.2149 2.2149 3.7803 3.7803 7.0097 7.0097 7.0301 7.0301 8.7066 8.7066 8.8357 8.8357 8.9639 8.9639 9.7290 9.7290 10.4138 10.4138 11.5139 11.5139 k = 0.1034 0.0568-0.0000 ( 3454 PWs) bands (ev): -32.4236 -32.4236 -13.6950 -13.6950 -13.3307 -13.3307 -13.3022 -13.3022 -2.4409 -2.4409 0.1551 0.1551 1.0696 1.0696 1.0883 1.0883 1.1519 1.1519 1.3192 1.3192 1.5630 1.5630 1.6349 1.6349 1.7122 1.7122 1.7927 1.7927 1.8960 1.8960 2.1498 2.1498 3.9088 3.9088 6.9888 6.9888 7.0113 7.0113 8.7502 8.7502 8.8746 8.8746 8.9051 8.9051 9.8204 9.8204 10.3408 10.3408 11.5964 11.5964 k = 0.1207 0.0662-0.0000 ( 3438 PWs) bands (ev): -32.4236 -32.4236 -13.6950 -13.6950 -13.3307 -13.3307 -13.3021 -13.3021 -2.4228 -2.4228 0.1205 0.1205 1.0702 1.0702 1.0884 1.0884 1.1522 1.1522 1.3189 1.3189 1.5594 1.5594 1.6349 1.6349 1.7117 1.7117 1.7927 1.7927 1.8870 1.8870 2.0900 2.0900 4.0462 4.0462 6.9657 6.9657 6.9905 6.9905 8.7999 8.7999 8.8419 8.8419 8.9267 8.9267 9.9144 9.9144 10.2679 10.2679 11.6774 11.6774 k = 0.1379 0.0757-0.0000 ( 3442 PWs) bands (ev): -32.4236 -32.4236 -13.6951 -13.6951 -13.3308 -13.3308 -13.3021 -13.3021 -2.4021 -2.4021 0.0807 0.0807 1.0709 1.0709 1.0885 1.0885 1.1522 1.1522 1.3184 1.3184 1.5548 1.5548 1.6348 1.6348 1.7111 1.7111 1.7927 1.7927 1.8722 1.8722 2.0398 2.0398 4.1909 4.1909 6.9410 6.9410 6.9681 6.9681 8.7864 8.7864 8.8551 8.8551 8.9791 8.9791 10.0111 10.0111 10.1960 10.1960 11.7535 11.7535 k = 0.1552 0.0851-0.0000 ( 3442 PWs) bands (ev): -32.4236 -32.4236 -13.6951 -13.6951 -13.3309 -13.3309 -13.3021 -13.3021 -2.3786 -2.3786 0.0357 0.0357 1.0715 1.0715 1.0885 1.0885 1.1524 1.1524 1.3178 1.3178 1.5489 1.5489 1.6347 1.6347 1.7104 1.7104 1.7926 1.7926 1.8497 1.8497 2.0025 2.0025 4.3416 4.3416 6.9151 6.9151 6.9446 6.9446 8.7332 8.7332 8.9150 8.9150 9.0367 9.0367 10.1103 10.1103 10.1260 10.1260 11.8208 11.8208 k = 0.1724 0.0946-0.0000 ( 3442 PWs) bands (ev): -32.4236 -32.4236 -13.6952 -13.6952 -13.3310 -13.3310 -13.3021 -13.3021 -2.3524 -2.3524 -0.0142 -0.0142 1.0720 1.0720 1.0885 1.0885 1.1525 1.1525 1.3172 1.3172 1.5413 1.5413 1.6346 1.6346 1.7098 1.7098 1.7926 1.7926 1.8201 1.8201 1.9785 1.9785 4.4976 4.4976 6.8886 6.8886 6.9204 6.9204 8.6826 8.6826 8.9791 8.9791 9.0987 9.0987 10.0581 10.0581 10.2120 10.2120 11.8737 11.8737 k = 0.1897 0.1041-0.0000 ( 3434 PWs) bands (ev): -32.4236 -32.4236 -13.6952 -13.6952 -13.3311 -13.3311 -13.3021 -13.3021 -2.3236 -2.3236 -0.0688 -0.0688 1.0726 1.0726 1.0886 1.0886 1.1528 1.1528 1.3164 1.3164 1.5318 1.5318 1.6345 1.6345 1.7093 1.7093 1.7876 1.7876 1.7925 1.7925 1.9642 1.9642 4.6582 4.6582 6.8618 6.8618 6.8958 6.8958 8.6347 8.6347 9.0467 9.0467 9.1644 9.1644 9.9929 9.9929 10.3161 10.3161 11.9040 11.9040 k = 0.2069 0.1135-0.0000 ( 3434 PWs) bands (ev): -32.4236 -32.4236 -13.6953 -13.6953 -13.3312 -13.3312 -13.3022 -13.3022 -2.2921 -2.2921 -0.1277 -0.1277 1.0731 1.0731 1.0886 1.0886 1.1530 1.1530 1.3154 1.3154 1.5201 1.5201 1.6343 1.6343 1.7085 1.7085 1.7567 1.7567 1.7924 1.7924 1.9556 1.9556 4.8229 4.8229 6.8352 6.8352 6.8712 6.8712 8.5894 8.5894 9.1173 9.1173 9.2333 9.2333 9.9304 9.9304 10.4227 10.4227 11.8990 11.8990 k = 0.2241 0.1230-0.0000 ( 3430 PWs) bands (ev): -32.4236 -32.4236 -13.6953 -13.6953 -13.3313 -13.3313 -13.3022 -13.3022 -2.2579 -2.2579 -0.1906 -0.1906 1.0735 1.0735 1.0886 1.0886 1.1532 1.1532 1.3143 1.3143 1.5064 1.5064 1.6342 1.6342 1.7079 1.7079 1.7297 1.7297 1.7923 1.7923 1.9501 1.9501 4.9913 4.9913 6.8090 6.8090 6.8469 6.8469 8.5468 8.5468 9.1902 9.1902 9.3046 9.3046 9.8709 9.8709 10.5317 10.5317 11.8438 11.8438 k = 0.2414 0.1325-0.0000 ( 3434 PWs) bands (ev): -32.4236 -32.4236 -13.6954 -13.6954 -13.3314 -13.3314 -13.3022 -13.3022 -2.2212 -2.2212 -0.2569 -0.2569 1.0738 1.0738 1.0887 1.0887 1.1535 1.1535 1.3128 1.3128 1.4909 1.4909 1.6340 1.6340 1.7071 1.7071 1.7076 1.7076 1.7922 1.7922 1.9465 1.9465 5.1631 5.1631 6.7834 6.7834 6.8232 6.8232 8.5068 8.5068 9.2649 9.2649 9.3780 9.3780 9.8146 9.8146 10.6428 10.6428 11.7311 11.7311 k = 0.2586 0.1419-0.0000 ( 3434 PWs) bands (ev): -32.4236 -32.4236 -13.6954 -13.6954 -13.3315 -13.3315 -13.3022 -13.3022 -2.1819 -2.1819 -0.3262 -0.3262 1.0740 1.0740 1.0887 1.0887 1.1537 1.1537 1.3110 1.3110 1.4745 1.4745 1.6339 1.6339 1.6903 1.6903 1.7064 1.7064 1.7921 1.7921 1.9439 1.9439 5.3379 5.3379 6.7588 6.7588 6.8003 6.8003 8.4695 8.4695 9.3407 9.3407 9.4527 9.4527 9.7615 9.7615 10.7562 10.7562 11.5703 11.5703 k = 0.2759 0.1514-0.0000 ( 3434 PWs) bands (ev): -32.4236 -32.4236 -13.6955 -13.6955 -13.3316 -13.3316 -13.3022 -13.3022 -2.1400 -2.1400 -0.3981 -0.3981 1.0742 1.0742 1.0888 1.0888 1.1539 1.1539 1.3089 1.3089 1.4581 1.4581 1.6337 1.6337 1.6770 1.6770 1.7056 1.7056 1.7921 1.7921 1.9420 1.9420 5.5155 5.5155 6.7353 6.7353 6.7783 6.7783 8.4348 8.4348 9.4169 9.4169 9.5282 9.5282 9.7117 9.7117 10.8715 10.8715 11.3787 11.3787 k = 0.2931 0.1608-0.0000 ( 3414 PWs) bands (ev): -32.4236 -32.4236 -13.6955 -13.6955 -13.3316 -13.3316 -13.3021 -13.3021 -2.0957 -2.0957 -0.4720 -0.4720 1.0743 1.0743 1.0889 1.0889 1.1541 1.1541 1.3065 1.3065 1.4424 1.4424 1.6337 1.6337 1.6669 1.6669 1.7048 1.7048 1.7921 1.7921 1.9406 1.9406 5.6954 5.6954 6.7130 6.7130 6.7575 6.7575 8.4028 8.4028 9.4924 9.4924 9.6038 9.6038 9.6658 9.6658 10.9888 10.9888 11.1704 11.1704 k = 0.3103 0.1703-0.0000 ( 3418 PWs) bands (ev): -32.4236 -32.4236 -13.6956 -13.6956 -13.3318 -13.3318 -13.3021 -13.3021 -2.0489 -2.0489 -0.5475 -0.5475 1.0742 1.0742 1.0888 1.0888 1.1543 1.1543 1.3036 1.3036 1.4279 1.4279 1.6335 1.6335 1.6591 1.6591 1.7041 1.7041 1.7920 1.7920 1.9395 1.9395 5.8773 5.8773 6.6922 6.6922 6.7379 6.7379 8.3733 8.3733 9.5628 9.5628 9.6273 9.6273 9.6789 9.6789 10.9541 10.9541 11.1077 11.1077 k = 0.3276 0.1798-0.0000 ( 3390 PWs) bands (ev): -32.4236 -32.4236 -13.6955 -13.6955 -13.3318 -13.3318 -13.3021 -13.3021 -1.9997 -1.9997 -0.6241 -0.6241 1.0741 1.0741 1.0889 1.0889 1.1546 1.1546 1.3004 1.3004 1.4154 1.4154 1.6334 1.6334 1.6531 1.6531 1.7035 1.7035 1.7919 1.7919 1.9387 1.9387 6.0608 6.0608 6.6729 6.6729 6.7197 6.7197 8.3465 8.3465 9.5722 9.5722 9.6511 9.6511 9.7525 9.7525 10.7349 10.7349 11.2281 11.2281 k = 0.3448 0.1892-0.0000 ( 3390 PWs) bands (ev): -32.4236 -32.4236 -13.6956 -13.6956 -13.3319 -13.3319 -13.3021 -13.3021 -1.9481 -1.9481 -0.7014 -0.7014 1.0739 1.0739 1.0889 1.0889 1.1548 1.1548 1.2968 1.2968 1.4045 1.4045 1.6333 1.6333 1.6485 1.6485 1.7028 1.7028 1.7919 1.7919 1.9380 1.9380 6.2450 6.2450 6.6554 6.6554 6.7030 6.7030 8.3223 8.3223 9.5376 9.5376 9.7189 9.7189 9.8239 9.8239 10.5165 10.5165 11.3497 11.3497 k = 0.3621 0.1987-0.0000 ( 3390 PWs) bands (ev): -32.4236 -32.4236 -13.6956 -13.6956 -13.3320 -13.3320 -13.3021 -13.3021 -1.8943 -1.8943 -0.7792 -0.7792 1.0736 1.0736 1.0889 1.0889 1.1550 1.1550 1.2930 1.2930 1.3956 1.3956 1.6332 1.6332 1.6448 1.6448 1.7022 1.7022 1.7918 1.7918 1.9375 1.9375 6.4290 6.4290 6.6401 6.6401 6.6878 6.6878 8.3006 8.3006 9.5023 9.5023 9.7853 9.7853 9.8922 9.8922 10.3022 10.3022 11.4719 11.4719 k = 0.3793 0.2081-0.0000 ( 3386 PWs) bands (ev): -32.4236 -32.4236 -13.6957 -13.6957 -13.3320 -13.3320 -13.3021 -13.3021 -1.8382 -1.8382 -0.8569 -0.8569 1.0733 1.0733 1.0889 1.0889 1.1552 1.1552 1.2891 1.2891 1.3884 1.3884 1.6331 1.6331 1.6419 1.6419 1.7017 1.7017 1.7917 1.7917 1.9370 1.9370 6.5999 6.5999 6.6388 6.6388 6.6743 6.6743 8.2815 8.2815 9.4672 9.4672 9.8450 9.8450 9.9563 9.9563 10.0978 10.0978 11.5943 11.5943 k = 0.3966 0.2176-0.0000 ( 3394 PWs) bands (ev): -32.4236 -32.4236 -13.6957 -13.6957 -13.3321 -13.3321 -13.3021 -13.3021 -1.7800 -1.7800 -0.9344 -0.9344 1.0728 1.0728 1.0890 1.0890 1.1553 1.1553 1.2853 1.2853 1.3827 1.3827 1.6330 1.6330 1.6397 1.6397 1.7011 1.7011 1.7916 1.7916 1.9366 1.9366 6.6096 6.6096 6.6625 6.6625 6.7981 6.7981 8.2649 8.2649 9.4293 9.4293 9.8562 9.8562 9.9491 9.9491 10.0151 10.0151 11.7160 11.7160 k = 0.4138 0.2271-0.0000 ( 3386 PWs) bands (ev): -32.4236 -32.4236 -13.6958 -13.6958 -13.3321 -13.3321 -13.3021 -13.3021 -1.7197 -1.7197 -1.0113 -1.0113 1.0725 1.0725 1.0890 1.0890 1.1555 1.1555 1.2818 1.2818 1.3783 1.3783 1.6329 1.6329 1.6379 1.6379 1.7007 1.7007 1.7916 1.7916 1.9364 1.9364 6.5999 6.5999 6.6524 6.6524 6.9738 6.9738 8.2510 8.2510 9.3807 9.3807 9.7115 9.7115 9.9730 9.9730 10.0676 10.0676 11.8355 11.8355 k = 0.4310 0.2365-0.0000 ( 3386 PWs) bands (ev): -32.4236 -32.4236 -13.6958 -13.6958 -13.3322 -13.3322 -13.3021 -13.3021 -1.6576 -1.6576 -1.0872 -1.0872 1.0721 1.0721 1.0890 1.0890 1.1556 1.1556 1.2788 1.2788 1.3750 1.3750 1.6328 1.6328 1.6366 1.6366 1.7003 1.7003 1.7915 1.7915 1.9362 1.9362 6.5914 6.5914 6.6441 6.6441 7.1415 7.1415 8.2395 8.2395 9.3045 9.3045 9.5858 9.5858 10.0146 10.0146 10.1125 10.1125 11.9507 11.9507 k = 0.4483 0.2460-0.0000 ( 3378 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3322 -13.3322 -13.3021 -13.3021 -1.5938 -1.5938 -1.1618 -1.1618 1.0718 1.0718 1.0890 1.0890 1.1557 1.1557 1.2764 1.2764 1.3727 1.3727 1.6328 1.6328 1.6357 1.6357 1.7000 1.7000 1.7915 1.7915 1.9360 1.9360 6.5847 6.5847 6.6377 6.6377 7.2943 7.2943 8.2306 8.2306 9.1950 9.1950 9.5142 9.5142 10.0498 10.0498 10.1488 10.1488 12.0577 12.0577 k = 0.4655 0.2554-0.0000 ( 3382 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3323 -13.3323 -13.3021 -13.3021 -1.5290 -1.5290 -1.2345 -1.2345 1.0716 1.0716 1.0891 1.0891 1.1557 1.1557 1.2746 1.2746 1.3710 1.3710 1.6328 1.6328 1.6350 1.6350 1.6997 1.6997 1.7915 1.7915 1.9359 1.9359 6.5798 6.5798 6.6330 6.6330 7.4221 7.4221 8.2243 8.2243 9.0814 9.0814 9.4795 9.4795 10.0760 10.0760 10.1755 10.1755 12.1494 12.1494 k = 0.4828 0.2649-0.0000 ( 3382 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3323 -13.3323 -13.3021 -13.3021 -1.4656 -1.4656 -1.3026 -1.3026 1.0715 1.0715 1.0891 1.0891 1.1557 1.1557 1.2735 1.2735 1.3701 1.3701 1.6327 1.6327 1.6346 1.6346 1.6996 1.6996 1.7915 1.7915 1.9358 1.9358 6.5769 6.5769 6.6302 6.6302 7.5101 7.5101 8.2205 8.2205 8.9972 8.9972 9.4634 9.4634 10.0921 10.0921 10.1919 10.1919 12.1880 12.1881 k = 0.5000 0.2744-0.0000 ( 3358 PWs) bands (ev): -32.4235 -32.4235 -13.6957 -13.6957 -13.3322 -13.3322 -13.3020 -13.3020 -1.4252 -1.4252 -1.3446 -1.3446 1.0714 1.0714 1.0891 1.0891 1.1559 1.1559 1.2732 1.2732 1.3699 1.3699 1.6328 1.6328 1.6346 1.6346 1.6997 1.6997 1.7916 1.7916 1.9358 1.9358 6.5759 6.5759 6.6293 6.6293 7.5420 7.5420 8.2192 8.2192 8.9659 8.9659 9.4586 9.4586 10.0976 10.0976 10.1974 10.1974 12.1885 12.1885 k = 0.5000 0.2744-0.0000 ( 3358 PWs) bands (ev): -32.4235 -32.4235 -13.6957 -13.6957 -13.3322 -13.3322 -13.3020 -13.3020 -1.4252 -1.4252 -1.3446 -1.3446 1.0714 1.0714 1.0891 1.0891 1.1559 1.1559 1.2732 1.2732 1.3699 1.3699 1.6328 1.6328 1.6346 1.6346 1.6997 1.6997 1.7916 1.7916 1.9358 1.9358 6.5759 6.5759 6.6293 6.6293 7.5420 7.5420 8.2192 8.2192 8.9659 8.9659 9.4586 9.4586 10.0976 10.0976 10.1974 10.1974 12.1885 12.1885 k = 0.4934 0.2865 0.0138 ( 3368 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3322 -13.3322 -13.3021 -13.3021 -1.4245 -1.4245 -1.3434 -1.3434 1.0718 1.0718 1.0892 1.0892 1.1559 1.1559 1.2733 1.2733 1.3700 1.3700 1.6327 1.6327 1.6346 1.6346 1.6996 1.6996 1.7914 1.7914 1.9354 1.9354 6.5648 6.5648 6.6218 6.6218 7.5426 7.5426 8.2331 8.2331 8.9600 8.9600 9.4673 9.4673 10.0977 10.0977 10.1973 10.1973 12.1810 12.1810 k = 0.4867 0.2986 0.0276 ( 3364 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3322 -13.3322 -13.3022 -13.3022 -1.4227 -1.4227 -1.3398 -1.3398 1.0727 1.0727 1.0897 1.0897 1.1562 1.1562 1.2736 1.2736 1.3705 1.3705 1.6326 1.6326 1.6348 1.6348 1.6994 1.6994 1.7910 1.7910 1.9340 1.9340 6.5189 6.5189 6.6145 6.6145 7.5441 7.5441 8.2723 8.2723 8.9421 8.9421 9.4934 9.4934 10.0981 10.0981 10.1970 10.1970 12.1594 12.1596 k = 0.4801 0.3107 0.0414 ( 3368 PWs) bands (ev): -32.4235 -32.4235 -13.6959 -13.6959 -13.3323 -13.3323 -13.3024 -13.3024 -1.4196 -1.4196 -1.3338 -1.3338 1.0742 1.0742 1.0905 1.0905 1.1568 1.1568 1.2741 1.2741 1.3713 1.3713 1.6322 1.6322 1.6351 1.6351 1.6991 1.6991 1.7903 1.7903 1.9317 1.9317 6.4362 6.4362 6.6156 6.6156 7.5460 7.5460 8.3303 8.3303 8.9125 8.9125 9.5376 9.5376 10.0989 10.0989 10.1972 10.1972 12.1214 12.1216 k = 0.4735 0.3227 0.0552 ( 3370 PWs) bands (ev): -32.4235 -32.4235 -13.6961 -13.6961 -13.3324 -13.3324 -13.3027 -13.3027 -1.4154 -1.4154 -1.3254 -1.3254 1.0762 1.0762 1.0916 1.0916 1.1576 1.1576 1.2749 1.2749 1.3725 1.3725 1.6317 1.6317 1.6358 1.6358 1.6986 1.6986 1.7894 1.7894 1.9285 1.9285 6.3282 6.3282 6.6211 6.6211 7.5478 7.5478 8.3993 8.3993 8.8714 8.8714 9.6002 9.6002 10.1003 10.1003 10.1984 10.1984 12.0262 12.0262 k = 0.4668 0.3348 0.0690 ( 3384 PWs) bands (ev): -32.4235 -32.4235 -13.6963 -13.6963 -13.3325 -13.3325 -13.3030 -13.3030 -1.4100 -1.4100 -1.3147 -1.3147 1.0787 1.0787 1.0931 1.0931 1.1585 1.1585 1.2759 1.2759 1.3740 1.3740 1.6311 1.6311 1.6366 1.6366 1.6978 1.6978 1.7883 1.7883 1.9243 1.9243 6.2030 6.2030 6.6294 6.6294 7.5493 7.5493 8.4727 8.4727 8.8191 8.8191 9.6815 9.6815 10.1027 10.1027 10.2012 10.2012 11.9089 11.9089 k = 0.4602 0.3469 0.0828 ( 3392 PWs) bands (ev): -32.4234 -32.4234 -13.6965 -13.6965 -13.3326 -13.3326 -13.3034 -13.3034 -1.4036 -1.4036 -1.3015 -1.3015 1.0818 1.0818 1.0949 1.0949 1.1597 1.1597 1.2771 1.2771 1.3758 1.3758 1.6302 1.6302 1.6376 1.6376 1.6971 1.6971 1.7869 1.7869 1.9194 1.9194 6.0662 6.0662 6.6400 6.6400 7.5502 7.5502 8.5455 8.5455 8.7562 8.7562 9.7807 9.7807 10.1065 10.1065 10.2060 10.2060 11.7831 11.7831 k = 0.4535 0.3590 0.0966 ( 3388 PWs) bands (ev): -32.4234 -32.4234 -13.6967 -13.6967 -13.3327 -13.3327 -13.3039 -13.3039 -1.3960 -1.3960 -1.2860 -1.2860 1.0854 1.0854 1.0971 1.0971 1.1612 1.1612 1.2786 1.2786 1.3781 1.3781 1.6293 1.6293 1.6389 1.6389 1.6962 1.6962 1.7853 1.7853 1.9136 1.9136 5.9217 5.9217 6.6526 6.6526 7.5503 7.5503 8.6151 8.6151 8.6837 8.6837 9.8963 9.8963 10.1123 10.1123 10.2130 10.2130 11.6547 11.6547 k = 0.4469 0.3711 0.1104 ( 3396 PWs) bands (ev): -32.4234 -32.4234 -13.6969 -13.6969 -13.3329 -13.3329 -13.3044 -13.3044 -1.3875 -1.3875 -1.2683 -1.2683 1.0894 1.0894 1.0996 1.0996 1.1629 1.1629 1.2803 1.2803 1.3806 1.3806 1.6281 1.6281 1.6404 1.6404 1.6951 1.6951 1.7835 1.7835 1.9070 1.9070 5.7724 5.7724 6.6672 6.6672 7.5496 7.5496 8.6018 8.6018 8.6806 8.6806 10.0257 10.0257 10.1206 10.1206 10.2220 10.2220 11.5271 11.5271 k = 0.4403 0.3832 0.1242 ( 3404 PWs) bands (ev): -32.4233 -32.4233 -13.6972 -13.6972 -13.3331 -13.3331 -13.3049 -13.3049 -1.3780 -1.3780 -1.2482 -1.2482 1.0937 1.0937 1.1025 1.1025 1.1649 1.1649 1.2823 1.2823 1.3834 1.3834 1.6269 1.6269 1.6420 1.6420 1.6939 1.6939 1.7815 1.7815 1.8996 1.8996 5.6203 5.6203 6.6835 6.6835 7.5477 7.5477 8.5125 8.5125 8.7417 8.7417 10.1317 10.1317 10.1657 10.1657 10.2331 10.2331 11.4026 11.4026 k = 0.4336 0.3953 0.1379 ( 3398 PWs) bands (ev): -32.4232 -32.4232 -13.6975 -13.6975 -13.3333 -13.3333 -13.3055 -13.3055 -1.3678 -1.3678 -1.2258 -1.2258 1.0983 1.0983 1.1060 1.1060 1.1671 1.1671 1.2845 1.2845 1.3866 1.3866 1.6255 1.6255 1.6438 1.6438 1.6926 1.6926 1.7795 1.7795 1.8916 1.8916 5.4670 5.4670 6.7015 6.7015 7.5443 7.5443 8.4164 8.4164 8.7995 8.7995 10.1457 10.1457 10.2453 10.2453 10.3133 10.3133 11.2836 11.2836 k = 0.4270 0.4074 0.1517 ( 3398 PWs) bands (ev): -32.4232 -32.4232 -13.6979 -13.6979 -13.3335 -13.3335 -13.3060 -13.3060 -1.3567 -1.3567 -1.2012 -1.2012 1.1030 1.1030 1.1101 1.1101 1.1696 1.1696 1.2870 1.2870 1.3902 1.3902 1.6241 1.6241 1.6457 1.6457 1.6911 1.6911 1.7773 1.7773 1.8829 1.8829 5.3136 5.3136 6.7211 6.7211 7.5391 7.5391 8.3145 8.3145 8.8548 8.8548 10.1628 10.1628 10.2598 10.2598 10.4619 10.4619 11.1731 11.1731 k = 0.4204 0.4195 0.1655 ( 3406 PWs) bands (ev): -32.4231 -32.4231 -13.6983 -13.6983 -13.3339 -13.3339 -13.3066 -13.3066 -1.3451 -1.3451 -1.1745 -1.1745 1.1077 1.1077 1.1147 1.1147 1.1723 1.1723 1.2897 1.2897 1.3940 1.3940 1.6225 1.6225 1.6477 1.6477 1.6894 1.6894 1.7751 1.7751 1.8736 1.8736 5.1611 5.1611 6.7423 6.7423 7.5317 7.5317 8.2079 8.2079 8.9086 8.9086 10.1828 10.1828 10.2758 10.2758 10.6033 10.6033 11.0784 11.0784 k = 0.4137 0.4316 0.1793 ( 3422 PWs) bands (ev): -32.4231 -32.4231 -13.6987 -13.6987 -13.3343 -13.3343 -13.3072 -13.3072 -1.3329 -1.3329 -1.1456 -1.1456 1.1122 1.1122 1.1199 1.1199 1.1753 1.1753 1.2926 1.2926 1.3983 1.3983 1.6208 1.6208 1.6497 1.6497 1.6877 1.6877 1.7729 1.7729 1.8638 1.8638 5.0100 5.0100 6.7648 6.7648 7.5217 7.5217 8.0975 8.0975 8.9617 8.9617 10.2053 10.2053 10.2932 10.2932 10.7108 10.7108 11.0242 11.0242 k = 0.4071 0.4437 0.1931 ( 3426 PWs) bands (ev): -32.4230 -32.4230 -13.6991 -13.6991 -13.3347 -13.3347 -13.3078 -13.3078 -1.3203 -1.3203 -1.1146 -1.1146 1.1169 1.1169 1.1256 1.1256 1.1785 1.1785 1.2958 1.2958 1.4029 1.4029 1.6192 1.6192 1.6516 1.6516 1.6859 1.6859 1.7708 1.7708 1.8534 1.8534 4.8612 4.8612 6.7886 6.7886 7.5086 7.5086 7.9841 7.9841 9.0147 9.0147 10.2298 10.2298 10.3123 10.3123 10.7287 10.7287 11.0645 11.0645 k = 0.4005 0.4558 0.2069 ( 3430 PWs) bands (ev): -32.4229 -32.4229 -13.6996 -13.6996 -13.3352 -13.3352 -13.3084 -13.3084 -1.3075 -1.3075 -1.0816 -1.0816 1.1217 1.1217 1.1317 1.1317 1.1821 1.1821 1.2993 1.2993 1.4078 1.4078 1.6175 1.6175 1.6534 1.6534 1.6841 1.6841 1.7690 1.7690 1.8426 1.8426 4.7151 4.7151 6.8137 6.8137 7.4920 7.4920 7.8687 7.8687 9.0683 9.0683 10.2552 10.2552 10.3335 10.3335 10.6759 10.6759 11.1789 11.1789 k = 0.3938 0.4679 0.2207 ( 3426 PWs) bands (ev): -32.4228 -32.4228 -13.7000 -13.7000 -13.3356 -13.3356 -13.3088 -13.3088 -1.2946 -1.2946 -1.0467 -1.0467 1.1268 1.1268 1.1380 1.1380 1.1859 1.1859 1.3029 1.3029 1.4131 1.4131 1.6158 1.6158 1.6549 1.6549 1.6822 1.6822 1.7674 1.7674 1.8315 1.8315 4.5721 4.5721 6.8398 6.8398 7.4712 7.4712 7.7520 7.7520 9.1227 9.1227 10.2802 10.2802 10.3577 10.3577 10.6065 10.6065 11.3122 11.3122 k = 0.3872 0.4800 0.2345 ( 3420 PWs) bands (ev): -32.4228 -32.4228 -13.7004 -13.7004 -13.3362 -13.3362 -13.3093 -13.3093 -1.2817 -1.2817 -1.0099 -1.0099 1.1321 1.1321 1.1445 1.1445 1.1900 1.1900 1.3067 1.3067 1.4188 1.4188 1.6141 1.6141 1.6560 1.6560 1.6805 1.6805 1.7663 1.7663 1.8201 1.8201 4.4328 4.4328 6.8670 6.8670 7.4453 7.4453 7.6352 7.6352 9.1783 9.1783 10.3027 10.3027 10.3860 10.3860 10.5382 10.5382 11.4451 11.4451 k = 0.3805 0.4921 0.2483 ( 3424 PWs) bands (ev): -32.4227 -32.4227 -13.7009 -13.7009 -13.3368 -13.3368 -13.3097 -13.3097 -1.2691 -1.2691 -0.9712 -0.9712 1.1377 1.1377 1.1509 1.1509 1.1943 1.1943 1.3106 1.3106 1.4249 1.4249 1.6124 1.6124 1.6563 1.6563 1.6788 1.6788 1.7656 1.7656 1.8085 1.8085 4.2975 4.2975 6.8950 6.8950 7.4118 7.4118 7.5211 7.5211 9.2354 9.2354 10.3208 10.3208 10.4183 10.4183 10.4772 10.4772 11.5358 11.5358 k = 0.3739 0.5041 0.2621 ( 3424 PWs) bands (ev): -32.4226 -32.4226 -13.7014 -13.7014 -13.3374 -13.3374 -13.3101 -13.3101 -1.2569 -1.2569 -0.9309 -0.9309 1.1436 1.1436 1.1573 1.1573 1.1989 1.1989 1.3146 1.3146 1.4314 1.4314 1.6108 1.6108 1.6559 1.6559 1.6773 1.6773 1.7656 1.7656 1.7968 1.7968 4.1667 4.1667 6.9238 6.9238 7.3568 7.3568 7.4237 7.4237 9.2942 9.2942 10.3328 10.3328 10.4185 10.4185 10.4624 10.4624 11.5273 11.5273 k = 0.3673 0.5162 0.2759 ( 3420 PWs) bands (ev): -32.4225 -32.4225 -13.7018 -13.7018 -13.3381 -13.3381 -13.3104 -13.3104 -1.2453 -1.2453 -0.8890 -0.8890 1.1498 1.1498 1.1637 1.1637 1.2037 1.2037 1.3186 1.3186 1.4382 1.4382 1.6092 1.6092 1.6547 1.6547 1.6759 1.6759 1.7662 1.7662 1.7851 1.7851 4.0408 4.0408 6.9533 6.9533 7.2587 7.2587 7.3650 7.3650 9.3546 9.3546 10.3346 10.3346 10.3808 10.3808 10.5034 10.5034 11.5183 11.5183 k = 0.3606 0.5283 0.2897 ( 3416 PWs) bands (ev): -32.4224 -32.4224 -13.7023 -13.7023 -13.3388 -13.3388 -13.3107 -13.3107 -1.2344 -1.2344 -0.8455 -0.8455 1.1564 1.1564 1.1700 1.1700 1.2088 1.2088 1.3226 1.3226 1.4455 1.4455 1.6078 1.6078 1.6527 1.6527 1.6745 1.6745 1.7674 1.7674 1.7734 1.7734 3.9201 3.9201 6.9832 6.9832 7.1449 7.1449 7.3179 7.3179 9.4169 9.4169 10.3179 10.3179 10.3628 10.3628 10.5500 10.5500 11.5134 11.5134 k = 0.3540 0.5404 0.3035 ( 3416 PWs) bands (ev): -32.4224 -32.4224 -13.7028 -13.7028 -13.3395 -13.3395 -13.3110 -13.3110 -1.2246 -1.2246 -0.8007 -0.8007 1.1632 1.1632 1.1761 1.1761 1.2140 1.2140 1.3265 1.3265 1.4532 1.4532 1.6064 1.6064 1.6501 1.6501 1.6730 1.6730 1.7614 1.7614 1.7696 1.7696 3.8052 3.8052 7.0136 7.0136 7.0288 7.0288 7.2696 7.2696 9.4811 9.4811 10.2941 10.2941 10.3540 10.3540 10.6002 10.6002 11.5118 11.5118 k = 0.3474 0.5525 0.3173 ( 3420 PWs) bands (ev): -32.4223 -32.4223 -13.7033 -13.7033 -13.3402 -13.3402 -13.3112 -13.3112 -1.2160 -1.2160 -0.7547 -0.7547 1.1703 1.1703 1.1822 1.1822 1.2194 1.2194 1.3303 1.3303 1.4612 1.4612 1.6051 1.6051 1.6470 1.6470 1.6713 1.6713 1.7501 1.7501 1.7718 1.7718 3.6964 3.6964 6.9128 6.9128 7.0439 7.0439 7.2184 7.2184 9.5473 9.5473 10.2747 10.2747 10.3418 10.3418 10.6536 10.6536 11.4732 11.4732 k = 0.3407 0.5646 0.3311 ( 3418 PWs) bands (ev): -32.4222 -32.4222 -13.7037 -13.7037 -13.3410 -13.3410 -13.3113 -13.3113 -1.2088 -1.2088 -0.7076 -0.7076 1.1775 1.1775 1.1882 1.1882 1.2249 1.2249 1.3338 1.3338 1.4697 1.4697 1.6039 1.6039 1.6436 1.6436 1.6695 1.6695 1.7390 1.7390 1.7742 1.7742 3.5944 3.5944 6.7977 6.7977 7.0728 7.0728 7.1656 7.1656 9.6153 9.6153 10.2604 10.2604 10.3242 10.3242 10.7099 10.7099 11.4065 11.4065 k = 0.3341 0.5767 0.3449 ( 3418 PWs) bands (ev): -32.4221 -32.4221 -13.7042 -13.7042 -13.3417 -13.3417 -13.3115 -13.3115 -1.2032 -1.2032 -0.6596 -0.6596 1.1847 1.1847 1.1943 1.1943 1.2305 1.2305 1.3371 1.3371 1.4784 1.4784 1.6029 1.6029 1.6400 1.6400 1.6676 1.6676 1.7283 1.7283 1.7764 1.7764 3.4995 3.4995 6.6840 6.6840 7.0832 7.0832 7.1282 7.1282 9.6852 9.6852 10.2455 10.2455 10.3058 10.3058 10.7689 10.7689 11.3413 11.3413 k = 0.3275 0.5888 0.3587 ( 3414 PWs) bands (ev): -32.4221 -32.4221 -13.7046 -13.7046 -13.3424 -13.3424 -13.3116 -13.3116 -1.1994 -1.1994 -0.6109 -0.6109 1.1917 1.1917 1.2007 1.2007 1.2361 1.2361 1.3401 1.3401 1.4874 1.4874 1.6021 1.6021 1.6363 1.6363 1.6659 1.6659 1.7183 1.7183 1.7782 1.7782 3.4123 3.4123 6.5719 6.5719 7.0351 7.0351 7.1469 7.1469 9.7570 9.7570 10.2169 10.2169 10.2989 10.2989 10.8303 10.8303 11.2782 11.2782 k = 0.3208 0.6009 0.3725 ( 3416 PWs) bands (ev): -32.4220 -32.4220 -13.7050 -13.7050 -13.3431 -13.3431 -13.3116 -13.3116 -1.1977 -1.1977 -0.5617 -0.5617 1.1979 1.1979 1.2077 1.2077 1.2418 1.2418 1.3426 1.3426 1.4965 1.4965 1.6012 1.6012 1.6326 1.6326 1.6643 1.6643 1.7092 1.7092 1.7791 1.7791 3.3333 3.3333 6.4617 6.4617 6.9732 6.9732 7.1772 7.1772 9.8305 9.8305 10.1706 10.1706 10.3073 10.3073 10.8939 10.8939 11.2175 11.2175 k = 0.3142 0.6130 0.3863 ( 3414 PWs) bands (ev): -32.4219 -32.4219 -13.7054 -13.7054 -13.3437 -13.3437 -13.3117 -13.3117 -1.1982 -1.1982 -0.5122 -0.5122 1.2033 1.2033 1.2152 1.2152 1.2476 1.2476 1.3446 1.3446 1.5057 1.5057 1.6005 1.6005 1.6290 1.6290 1.6628 1.6628 1.7015 1.7015 1.7787 1.7787 3.2630 3.2630 6.3535 6.3535 6.9083 6.9083 7.2089 7.2089 9.9057 9.9057 10.1114 10.1114 10.3266 10.3266 10.9589 10.9589 11.1599 11.1599 k = 0.3075 0.6251 0.4000 ( 3410 PWs) bands (ev): -32.4219 -32.4219 -13.7057 -13.7057 -13.3443 -13.3443 -13.3117 -13.3117 -1.2012 -1.2012 -0.4625 -0.4625 1.2079 1.2079 1.2230 1.2230 1.2535 1.2535 1.3460 1.3460 1.5148 1.5148 1.5997 1.5997 1.6257 1.6257 1.6611 1.6611 1.6960 1.6960 1.7768 1.7768 3.2019 3.2019 6.2476 6.2476 6.8419 6.8419 7.2412 7.2412 9.9821 9.9821 10.0427 10.0427 10.3541 10.3541 11.0208 11.0208 11.1098 11.1098 k = 0.3009 0.6372 0.4138 ( 3398 PWs) bands (ev): -32.4218 -32.4218 -13.7060 -13.7060 -13.3449 -13.3449 -13.3117 -13.3117 -1.2066 -1.2066 -0.4131 -0.4131 1.2120 1.2120 1.2305 1.2305 1.2597 1.2597 1.3468 1.3468 1.5235 1.5235 1.5989 1.5989 1.6228 1.6228 1.6585 1.6585 1.6942 1.6942 1.7731 1.7731 3.1501 3.1501 6.1441 6.1441 6.7748 6.7748 7.2737 7.2737 9.9650 9.9650 10.0613 10.0613 10.3884 10.3884 11.0306 11.0306 11.1163 11.1163 k = 0.2943 0.6493 0.4276 ( 3400 PWs) bands (ev): -32.4218 -32.4218 -13.7063 -13.7063 -13.3454 -13.3454 -13.3117 -13.3117 -1.2148 -1.2148 -0.3640 -0.3640 1.2155 1.2155 1.2373 1.2373 1.2664 1.2664 1.3468 1.3468 1.5314 1.5314 1.5979 1.5979 1.6206 1.6206 1.6543 1.6543 1.6970 1.6970 1.7676 1.7676 3.1080 3.1080 6.0432 6.0432 6.7076 6.7076 7.3063 7.3063 9.8824 9.8824 10.1404 10.1404 10.4288 10.4288 10.9853 10.9853 11.1821 11.1821 k = 0.2876 0.6614 0.4414 ( 3409 PWs) bands (ev): -32.4217 -32.4217 -13.7066 -13.7066 -13.3458 -13.3458 -13.3117 -13.3117 -1.2258 -1.2258 -0.3156 -0.3156 1.2185 1.2185 1.2431 1.2431 1.2735 1.2735 1.3459 1.3459 1.5383 1.5383 1.5969 1.5969 1.6190 1.6190 1.6488 1.6488 1.7043 1.7043 1.7604 1.7604 3.0754 3.0754 5.9451 5.9451 6.6410 6.6410 7.3392 7.3392 9.7950 9.7950 10.2207 10.2207 10.4746 10.4746 10.9363 10.9363 11.2556 11.2556 k = 0.2876 0.6614 0.4414 ( 3409 PWs) bands (ev): -32.4217 -32.4217 -13.7066 -13.7066 -13.3458 -13.3458 -13.3117 -13.3117 -1.2258 -1.2258 -0.3156 -0.3156 1.2185 1.2185 1.2431 1.2431 1.2735 1.2735 1.3459 1.3459 1.5383 1.5383 1.5969 1.5969 1.6190 1.6190 1.6488 1.6488 1.7043 1.7043 1.7604 1.7604 3.0754 3.0754 5.9451 5.9451 6.6410 6.6410 7.3392 7.3392 9.7950 9.7950 10.2207 10.2207 10.4746 10.4746 10.9363 10.9363 11.2556 11.2556 k = 0.2697 0.6571 0.4463 ( 3411 PWs) bands (ev): -32.4217 -32.4217 -13.7067 -13.7067 -13.3460 -13.3460 -13.3118 -13.3118 -1.2313 -1.2313 -0.2975 -0.2975 1.2194 1.2194 1.2449 1.2449 1.2762 1.2762 1.3453 1.3453 1.5404 1.5404 1.5966 1.5966 1.6186 1.6186 1.6466 1.6466 1.7074 1.7074 1.7581 1.7581 3.0688 3.0688 5.8867 5.8867 6.6431 6.6431 7.3513 7.3513 9.7613 9.7613 10.2500 10.2500 10.4574 10.4574 10.9213 10.9213 11.3148 11.3148 k = 0.2517 0.6528 0.4512 ( 3420 PWs) bands (ev): -32.4217 -32.4217 -13.7068 -13.7068 -13.3461 -13.3461 -13.3118 -13.3118 -1.2387 -1.2387 -0.2778 -0.2778 1.2203 1.2203 1.2466 1.2466 1.2788 1.2788 1.3446 1.3446 1.5425 1.5425 1.5964 1.5964 1.6181 1.6181 1.6443 1.6443 1.7098 1.7098 1.7569 1.7569 3.0689 3.0689 5.7901 5.7901 6.6868 6.6868 7.3645 7.3645 9.7243 9.7243 10.2807 10.2807 10.3862 10.3862 10.9097 10.9097 11.4247 11.4247 k = 0.2337 0.6485 0.4561 ( 3419 PWs) bands (ev): -32.4217 -32.4217 -13.7068 -13.7068 -13.3462 -13.3462 -13.3118 -13.3118 -1.2474 -1.2474 -0.2570 -0.2570 1.2212 1.2212 1.2481 1.2481 1.2815 1.2815 1.3437 1.3437 1.5444 1.5444 1.5964 1.5964 1.6176 1.6176 1.6419 1.6419 1.7113 1.7113 1.7567 1.7567 3.0759 3.0759 5.6714 5.6714 6.7562 6.7562 7.3784 7.3784 9.6854 9.6854 10.2848 10.2848 10.3125 10.3125 10.8993 10.8993 11.5574 11.5574 k = 0.2157 0.6442 0.4610 ( 3427 PWs) bands (ev): -32.4217 -32.4217 -13.7069 -13.7069 -13.3464 -13.3464 -13.3118 -13.3118 -1.2570 -1.2570 -0.2358 -0.2358 1.2220 1.2220 1.2494 1.2494 1.2843 1.2843 1.3426 1.3426 1.5463 1.5463 1.5965 1.5965 1.6170 1.6170 1.6395 1.6395 1.7120 1.7120 1.7571 1.7571 3.0900 3.0900 5.5417 5.5417 6.8401 6.8401 7.3929 7.3929 9.6455 9.6455 10.1689 10.1689 10.3446 10.3446 10.8897 10.8897 11.5268 11.5268 k = 0.1978 0.6399 0.4659 ( 3425 PWs) bands (ev): -32.4217 -32.4217 -13.7070 -13.7070 -13.3465 -13.3465 -13.3118 -13.3118 -1.2671 -1.2671 -0.2148 -0.2148 1.2229 1.2229 1.2506 1.2506 1.2871 1.2871 1.3413 1.3413 1.5481 1.5481 1.5968 1.5968 1.6163 1.6163 1.6371 1.6371 1.7120 1.7120 1.7578 1.7578 3.1111 3.1111 5.4076 5.4076 6.9323 6.9323 7.4078 7.4078 9.6055 9.6055 10.0462 10.0462 10.3771 10.3771 10.8809 10.8809 11.4843 11.4843 k = 0.1798 0.6356 0.4708 ( 3422 PWs) bands (ev): -32.4217 -32.4217 -13.7070 -13.7070 -13.3466 -13.3466 -13.3118 -13.3118 -1.2772 -1.2772 -0.1943 -0.1943 1.2238 1.2238 1.2515 1.2515 1.2899 1.2899 1.3399 1.3399 1.5498 1.5498 1.5973 1.5973 1.6155 1.6155 1.6348 1.6348 1.7117 1.7117 1.7586 1.7586 3.1392 3.1392 5.2726 5.2726 7.0294 7.0294 7.4227 7.4227 9.5662 9.5662 9.9209 9.9209 10.4092 10.4092 10.8732 10.8732 11.4450 11.4450 k = 0.1618 0.6314 0.4757 ( 3420 PWs) bands (ev): -32.4217 -32.4217 -13.7071 -13.7071 -13.3466 -13.3466 -13.3117 -13.3117 -1.2871 -1.2871 -0.1749 -0.1749 1.2246 1.2246 1.2523 1.2523 1.2927 1.2927 1.3383 1.3383 1.5514 1.5514 1.5980 1.5980 1.6145 1.6145 1.6326 1.6326 1.7112 1.7112 1.7591 1.7591 3.1741 3.1741 5.1389 5.1389 7.1290 7.1290 7.4375 7.4375 9.5279 9.5279 9.7958 9.7958 10.4403 10.4403 10.8670 10.8670 11.4091 11.4091 k = 0.1438 0.6271 0.4806 ( 3420 PWs) bands (ev): -32.4217 -32.4217 -13.7071 -13.7071 -13.3467 -13.3467 -13.3117 -13.3117 -1.2966 -1.2966 -0.1568 -0.1568 1.2254 1.2254 1.2530 1.2530 1.2956 1.2956 1.3365 1.3365 1.5529 1.5529 1.5987 1.5987 1.6134 1.6134 1.6305 1.6305 1.7106 1.7106 1.7594 1.7594 3.2153 3.2153 5.0080 5.0080 7.2294 7.2294 7.4520 7.4520 9.4909 9.4909 9.6733 9.6733 10.4699 10.4699 10.8623 10.8623 11.3768 11.3768 k = 0.1258 0.6228 0.4854 ( 3423 PWs) bands (ev): -32.4217 -32.4217 -13.7071 -13.7071 -13.3468 -13.3468 -13.3118 -13.3118 -1.3053 -1.3053 -0.1403 -0.1403 1.2262 1.2262 1.2534 1.2534 1.2985 1.2985 1.3346 1.3346 1.5543 1.5543 1.5996 1.5996 1.6123 1.6123 1.6285 1.6285 1.7101 1.7101 1.7593 1.7593 3.2621 3.2621 4.8815 4.8815 7.3289 7.3289 7.4660 7.4660 9.4534 9.4534 9.5570 9.5570 10.4973 10.4973 10.8593 10.8593 11.3481 11.3481 k = 0.1079 0.6185 0.4903 ( 3425 PWs) bands (ev): -32.4217 -32.4217 -13.7072 -13.7072 -13.3468 -13.3468 -13.3117 -13.3117 -1.3132 -1.3132 -0.1256 -0.1256 1.2269 1.2269 1.2538 1.2538 1.3013 1.3013 1.3325 1.3325 1.5557 1.5557 1.6006 1.6006 1.6111 1.6111 1.6266 1.6266 1.7097 1.7097 1.7589 1.7589 3.3136 3.3136 4.7606 4.7606 7.4244 7.4244 7.4807 7.4807 9.4011 9.4011 9.4638 9.4638 10.5218 10.5218 10.8579 10.8579 11.3231 11.3231 k = 0.0899 0.6142 0.4952 ( 3424 PWs) bands (ev): -32.4217 -32.4217 -13.7072 -13.7072 -13.3469 -13.3469 -13.3117 -13.3117 -1.3201 -1.3201 -0.1129 -0.1129 1.2275 1.2275 1.2541 1.2541 1.3041 1.3041 1.3304 1.3304 1.5569 1.5569 1.6015 1.6015 1.6101 1.6101 1.6249 1.6249 1.7093 1.7093 1.7583 1.7583 3.3683 3.3683 4.6469 4.6469 7.4829 7.4829 7.5269 7.5269 9.3110 9.3110 9.4189 9.4189 10.5430 10.5430 10.8582 10.8582 11.3020 11.3020 k = 0.0719 0.6099 0.5001 ( 3420 PWs) bands (ev): -32.4216 -32.4216 -13.7072 -13.7072 -13.3469 -13.3469 -13.3117 -13.3117 -1.3259 -1.3259 -0.1024 -0.1024 1.2280 1.2280 1.2543 1.2543 1.3070 1.3070 1.3281 1.3281 1.5579 1.5579 1.6023 1.6023 1.6094 1.6094 1.6232 1.6232 1.7091 1.7091 1.7576 1.7576 3.4241 3.4241 4.5429 4.5429 7.4957 7.4957 7.6102 7.6102 9.2158 9.2158 9.3931 9.3931 10.5604 10.5604 10.8597 10.8597 11.2846 11.2846 k = 0.0539 0.6056 0.5050 ( 3417 PWs) bands (ev): -32.4216 -32.4216 -13.7072 -13.7072 -13.3469 -13.3469 -13.3117 -13.3117 -1.3304 -1.3304 -0.0941 -0.0941 1.2285 1.2285 1.2544 1.2544 1.3098 1.3098 1.3257 1.3257 1.5588 1.5588 1.6028 1.6028 1.6090 1.6090 1.6218 1.6218 1.7090 1.7090 1.7569 1.7569 3.4777 3.4777 4.4517 4.4517 7.5041 7.5041 7.6855 7.6855 9.1314 9.1314 9.3743 9.3743 10.5738 10.5738 10.8618 10.8618 11.2711 11.2711 k = 0.0360 0.6013 0.5099 ( 3420 PWs) bands (ev): -32.4216 -32.4216 -13.7072 -13.7072 -13.3469 -13.3469 -13.3117 -13.3117 -1.3338 -1.3338 -0.0881 -0.0881 1.2288 1.2288 1.2545 1.2545 1.3126 1.3126 1.3232 1.3232 1.5594 1.5594 1.6029 1.6029 1.6091 1.6091 1.6206 1.6206 1.7089 1.7089 1.7563 1.7563 3.5241 3.5241 4.3785 4.3785 7.5100 7.5100 7.7458 7.7458 9.0644 9.0644 9.3611 9.3611 10.5833 10.5833 10.8640 10.8640 11.2614 11.2614 k = 0.0180 0.5971 0.5148 ( 3428 PWs) bands (ev): -32.4216 -32.4216 -13.7073 -13.7073 -13.3470 -13.3470 -13.3117 -13.3117 -1.3358 -1.3358 -0.0845 -0.0845 1.2290 1.2290 1.2545 1.2545 1.3153 1.3153 1.3207 1.3207 1.5598 1.5598 1.6029 1.6029 1.6093 1.6093 1.6197 1.6197 1.7089 1.7089 1.7559 1.7559 3.5568 3.5568 4.3297 4.3297 7.5135 7.5135 7.7853 7.7853 9.0209 9.0209 9.3531 9.3531 10.5889 10.5889 10.8656 10.8656 11.2556 11.2556 k = 0.0000 0.5928 0.5197 ( 3430 PWs) bands (ev): -32.4216 -32.4216 -13.7073 -13.7073 -13.3470 -13.3470 -13.3117 -13.3117 -1.3364 -1.3364 -0.0833 -0.0833 1.2291 1.2291 1.2545 1.2545 1.3177 1.3177 1.3183 1.3183 1.5600 1.5600 1.6029 1.6029 1.6094 1.6094 1.6194 1.6194 1.7089 1.7089 1.7558 1.7558 3.5687 3.5687 4.3124 4.3124 7.5147 7.5147 7.7991 7.7991 9.0057 9.0057 9.3505 9.3505 10.5907 10.5907 10.8662 10.8662 11.2536 11.2536 k = 0.0000 0.5928 0.5197 ( 3430 PWs) bands (ev): -32.4216 -32.4216 -13.7073 -13.7073 -13.3470 -13.3470 -13.3117 -13.3117 -1.3364 -1.3364 -0.0833 -0.0833 1.2291 1.2291 1.2545 1.2545 1.3177 1.3177 1.3183 1.3183 1.5600 1.5600 1.6029 1.6029 1.6094 1.6094 1.6194 1.6194 1.7089 1.7089 1.7558 1.7558 3.5687 3.5687 4.3124 4.3124 7.5147 7.5147 7.7991 7.7991 9.0057 9.0057 9.3505 9.3505 10.5907 10.5907 10.8662 10.8662 11.2536 11.2536 k = 0.0066 0.5808 0.5333 ( 3432 PWs) bands (ev): -32.4216 -32.4216 -13.7073 -13.7073 -13.3470 -13.3470 -13.3118 -13.3118 -1.3359 -1.3359 -0.0825 -0.0825 1.2285 1.2285 1.2548 1.2548 1.3135 1.3135 1.3223 1.3223 1.5597 1.5597 1.6021 1.6021 1.6095 1.6095 1.6201 1.6201 1.7092 1.7092 1.7567 1.7567 3.5693 3.5693 4.3133 4.3133 7.5073 7.5073 7.7967 7.7967 9.0052 9.0052 9.3217 9.3217 10.6230 10.6230 10.8703 10.8703 11.2586 11.2586 k = 0.0132 0.5688 0.5470 ( 3432 PWs) bands (ev): -32.4216 -32.4216 -13.7073 -13.7073 -13.3469 -13.3469 -13.3119 -13.3119 -1.3344 -1.3344 -0.0801 -0.0801 1.2269 1.2269 1.2556 1.2556 1.3090 1.3090 1.3264 1.3264 1.5589 1.5589 1.6001 1.6001 1.6100 1.6100 1.6218 1.6218 1.7100 1.7100 1.7593 1.7593 3.5713 3.5713 4.3161 4.3161 7.4854 7.4854 7.7894 7.7894 9.0023 9.0023 9.2449 9.2449 10.7118 10.7118 10.8821 10.8821 11.2737 11.2737 k = 0.0197 0.5568 0.5607 ( 3424 PWs) bands (ev): -32.4216 -32.4216 -13.7073 -13.7073 -13.3469 -13.3469 -13.3122 -13.3122 -1.3318 -1.3318 -0.0761 -0.0761 1.2245 1.2245 1.2567 1.2567 1.3047 1.3047 1.3303 1.3303 1.5576 1.5576 1.5972 1.5972 1.6108 1.6108 1.6242 1.6242 1.7114 1.7114 1.7635 1.7635 3.5746 3.5746 4.3206 4.3206 7.4497 7.4497 7.7773 7.7773 8.9874 8.9874 9.1460 9.1460 10.8408 10.8408 10.9005 10.9005 11.2991 11.2991 k = 0.0263 0.5448 0.5744 ( 3428 PWs) bands (ev): -32.4216 -32.4216 -13.7074 -13.7074 -13.3468 -13.3468 -13.3125 -13.3125 -1.3282 -1.3282 -0.0705 -0.0705 1.2216 1.2216 1.2573 1.2573 1.3008 1.3008 1.3339 1.3339 1.5560 1.5560 1.5940 1.5940 1.6120 1.6120 1.6269 1.6269 1.7133 1.7133 1.7692 1.7692 3.5791 3.5791 4.3269 4.3269 7.4014 7.4014 7.7605 7.7605 8.9210 8.9210 9.0787 9.0787 10.9235 10.9235 10.9958 10.9958 11.3344 11.3344 k = 0.0329 0.5328 0.5881 ( 3426 PWs) bands (ev): -32.4216 -32.4216 -13.7075 -13.7075 -13.3466 -13.3466 -13.3130 -13.3130 -1.3236 -1.3236 -0.0634 -0.0634 1.2182 1.2182 1.2573 1.2573 1.2976 1.2976 1.3372 1.3372 1.5539 1.5539 1.5906 1.5906 1.6136 1.6136 1.6298 1.6298 1.7157 1.7157 1.7763 1.7763 3.5849 3.5849 4.3348 4.3348 7.3420 7.3420 7.7390 7.7390 8.7915 8.7915 9.0639 9.0639 10.9502 10.9502 11.1664 11.1664 11.3794 11.3794 k = 0.0395 0.5208 0.6017 ( 3424 PWs) bands (ev): -32.4215 -32.4215 -13.7076 -13.7076 -13.3465 -13.3465 -13.3135 -13.3135 -1.3181 -1.3181 -0.0548 -0.0548 1.2145 1.2145 1.2560 1.2560 1.2956 1.2956 1.3403 1.3403 1.5516 1.5516 1.5871 1.5871 1.6154 1.6154 1.6328 1.6328 1.7185 1.7185 1.7846 1.7846 3.5920 3.5920 4.3443 4.3443 7.2729 7.2729 7.7130 7.7130 8.6399 8.6399 9.0663 9.0663 10.9788 10.9788 11.3470 11.3470 11.4327 11.4327 k = 0.0461 0.5088 0.6154 ( 3428 PWs) bands (ev): -32.4215 -32.4215 -13.7078 -13.7078 -13.3463 -13.3463 -13.3141 -13.3141 -1.3116 -1.3116 -0.0447 -0.0447 1.2106 1.2106 1.2532 1.2532 1.2949 1.2949 1.3431 1.3431 1.5491 1.5491 1.5837 1.5837 1.6175 1.6175 1.6361 1.6361 1.7217 1.7217 1.7939 1.7939 3.6003 3.6003 4.3553 4.3553 7.1958 7.1958 7.6827 7.6827 8.4814 8.4814 9.0743 9.0743 11.0086 11.0086 11.4923 11.4923 11.5336 11.5336 k = 0.0526 0.4969 0.6291 ( 3422 PWs) bands (ev): -32.4214 -32.4214 -13.7079 -13.7079 -13.3461 -13.3461 -13.3148 -13.3148 -1.3042 -1.3042 -0.0332 -0.0332 1.2065 1.2065 1.2492 1.2492 1.2956 1.2956 1.3457 1.3457 1.5466 1.5466 1.5804 1.5804 1.6199 1.6199 1.6397 1.6397 1.7250 1.7250 1.8042 1.8042 3.6098 3.6098 4.3676 4.3676 7.1122 7.1122 7.6483 7.6483 8.3208 8.3208 9.0849 9.0849 11.0390 11.0390 11.5563 11.5563 11.7225 11.7225 k = 0.0592 0.4849 0.6428 ( 3418 PWs) bands (ev): -32.4214 -32.4214 -13.7080 -13.7080 -13.3459 -13.3459 -13.3156 -13.3156 -1.2959 -1.2959 -0.0204 -0.0204 1.2022 1.2022 1.2439 1.2439 1.2972 1.2972 1.3482 1.3482 1.5440 1.5440 1.5774 1.5774 1.6226 1.6226 1.6435 1.6435 1.7285 1.7285 1.8153 1.8153 3.6205 3.6205 4.3810 4.3810 7.0235 7.0235 7.6099 7.6099 8.1605 8.1605 9.0972 9.0972 11.0700 11.0700 11.6217 11.6217 11.9100 11.9100 k = 0.0658 0.4729 0.6564 ( 3418 PWs) bands (ev): -32.4213 -32.4213 -13.7082 -13.7082 -13.3456 -13.3456 -13.3164 -13.3164 -1.2868 -1.2868 -0.0064 -0.0064 1.1978 1.1978 1.2379 1.2379 1.2996 1.2996 1.3507 1.3507 1.5415 1.5415 1.5745 1.5745 1.6254 1.6254 1.6474 1.6474 1.7321 1.7321 1.8273 1.8273 3.6322 3.6322 4.3952 4.3952 6.9310 6.9310 7.5678 7.5678 8.0021 8.0021 9.1106 9.1106 11.1016 11.1016 11.6859 11.6859 12.0854 12.0854 k = 0.0724 0.4609 0.6701 ( 3422 PWs) bands (ev): -32.4213 -32.4213 -13.7084 -13.7084 -13.3454 -13.3454 -13.3174 -13.3174 -1.2769 -1.2769 0.0088 0.0088 1.1933 1.1933 1.2313 1.2313 1.3023 1.3023 1.3531 1.3531 1.5391 1.5391 1.5717 1.5717 1.6285 1.6285 1.6515 1.6515 1.7357 1.7357 1.8400 1.8400 3.6450 3.6450 4.4102 4.4102 6.8359 6.8359 7.5221 7.5221 7.8467 7.8467 9.1246 9.1246 11.1338 11.1338 11.7467 11.7467 12.1906 12.1906 k = 0.0789 0.4489 0.6838 ( 3418 PWs) bands (ev): -32.4212 -32.4212 -13.7086 -13.7086 -13.3451 -13.3451 -13.3183 -13.3183 -1.2663 -1.2663 0.0251 0.0251 1.1886 1.1886 1.2244 1.2244 1.3055 1.3055 1.3557 1.3557 1.5368 1.5368 1.5693 1.5693 1.6318 1.6318 1.6559 1.6559 1.7392 1.7392 1.8535 1.8535 3.6589 3.6589 4.4254 4.4254 6.7391 6.7391 7.4726 7.4726 7.6957 7.6957 9.1386 9.1386 11.1666 11.1666 11.8024 11.8024 12.1560 12.1560 k = 0.0855 0.4369 0.6975 ( 3416 PWs) bands (ev): -32.4211 -32.4211 -13.7089 -13.7089 -13.3448 -13.3448 -13.3193 -13.3193 -1.2550 -1.2550 0.0424 0.0424 1.1838 1.1838 1.2172 1.2172 1.3088 1.3088 1.3584 1.3584 1.5348 1.5348 1.5670 1.5670 1.6353 1.6353 1.6604 1.6604 1.7426 1.7426 1.8677 1.8677 3.6736 3.6736 4.4407 4.4407 6.6416 6.6416 7.4180 7.4180 7.5514 7.5514 9.1522 9.1522 11.1999 11.1999 11.8517 11.8517 12.0731 12.0731 k = 0.0921 0.4249 0.7111 ( 3416 PWs) bands (ev): -32.4211 -32.4211 -13.7091 -13.7091 -13.3445 -13.3445 -13.3204 -13.3204 -1.2431 -1.2431 0.0604 0.0604 1.1789 1.1789 1.2099 1.2099 1.3123 1.3123 1.3614 1.3614 1.5329 1.5329 1.5649 1.5649 1.6390 1.6390 1.6650 1.6650 1.7459 1.7459 1.8827 1.8827 3.6892 3.6892 4.4554 4.4554 6.5441 6.5441 7.3498 7.3498 7.4233 7.4233 9.1649 9.1649 11.2338 11.2338 11.8938 11.8938 11.9788 11.9788 k = 0.0987 0.4129 0.7248 ( 3406 PWs) bands (ev): -32.4210 -32.4210 -13.7094 -13.7094 -13.3441 -13.3441 -13.3215 -13.3215 -1.2306 -1.2306 0.0793 0.0793 1.1739 1.1739 1.2025 1.2025 1.3159 1.3159 1.3648 1.3648 1.5313 1.5313 1.5630 1.5630 1.6429 1.6429 1.6697 1.6697 1.7489 1.7489 1.8984 1.8984 3.7055 3.7055 4.4693 4.4693 6.4475 6.4475 7.2438 7.2438 7.3366 7.3366 9.1759 9.1759 11.2681 11.2681 11.8798 11.8798 11.9312 11.9312 k = 0.1053 0.4009 0.7385 ( 3406 PWs) bands (ev): -32.4209 -32.4209 -13.7096 -13.7096 -13.3438 -13.3438 -13.3226 -13.3226 -1.2177 -1.2177 0.0986 0.0986 1.1688 1.1688 1.1951 1.1951 1.3195 1.3195 1.3686 1.3686 1.5298 1.5298 1.5613 1.5613 1.6469 1.6469 1.6745 1.6745 1.7517 1.7517 1.9149 1.9149 3.7224 3.7224 4.4817 4.4817 6.3524 6.3524 7.1195 7.1195 7.2727 7.2727 9.1845 9.1845 11.3026 11.3026 11.7852 11.7852 11.9597 11.9597 k = 0.1118 0.3890 0.7522 ( 3410 PWs) bands (ev): -32.4208 -32.4208 -13.7099 -13.7099 -13.3435 -13.3435 -13.3237 -13.3237 -1.2044 -1.2044 0.1185 0.1185 1.1636 1.1636 1.1877 1.1877 1.3232 1.3232 1.3727 1.3727 1.5285 1.5285 1.5597 1.5597 1.6510 1.6510 1.6793 1.6793 1.7543 1.7543 1.9322 1.9322 3.7399 3.7399 4.4919 4.4919 6.2592 6.2592 6.9974 6.9974 7.2123 7.2123 9.1901 9.1901 11.3370 11.3370 11.6946 11.6946 11.9831 11.9831 k = 0.1184 0.3770 0.7658 ( 3408 PWs) bands (ev): -32.4208 -32.4208 -13.7102 -13.7102 -13.3431 -13.3431 -13.3249 -13.3249 -1.1908 -1.1908 0.1386 0.1386 1.1584 1.1584 1.1804 1.1804 1.3269 1.3269 1.3774 1.3774 1.5274 1.5274 1.5582 1.5582 1.6552 1.6552 1.6841 1.6841 1.7566 1.7566 1.9505 1.9505 3.7578 3.7578 4.4993 4.4993 6.1686 6.1686 6.8817 6.8817 7.1522 7.1522 9.1919 9.1919 11.3711 11.3711 11.6108 11.6108 12.0019 12.0019 k = 0.1250 0.3650 0.7795 ( 3404 PWs) bands (ev): -32.4207 -32.4207 -13.7105 -13.7105 -13.3428 -13.3428 -13.3260 -13.3260 -1.1770 -1.1770 0.1589 0.1589 1.1533 1.1533 1.1732 1.1732 1.3307 1.3307 1.3826 1.3826 1.5265 1.5265 1.5568 1.5568 1.6595 1.6595 1.6889 1.6889 1.7585 1.7585 1.9696 1.9696 3.7760 3.7760 4.5033 4.5033 6.0810 6.0810 6.7740 6.7740 7.0919 7.0919 9.1890 9.1890 11.4044 11.4044 11.5358 11.5358 12.0169 12.0169 k = 0.1316 0.3530 0.7932 ( 3408 PWs) bands (ev): -32.4206 -32.4206 -13.7108 -13.7108 -13.3425 -13.3425 -13.3272 -13.3272 -1.1630 -1.1630 0.1792 0.1792 1.1480 1.1480 1.1661 1.1661 1.3346 1.3346 1.3883 1.3883 1.5256 1.5256 1.5556 1.5556 1.6638 1.6638 1.6936 1.6936 1.7602 1.7602 1.9897 1.9897 3.7942 3.7942 4.5029 4.5029 5.9969 5.9969 6.6755 6.6755 7.0314 7.0314 9.1809 9.1809 11.4349 11.4349 11.4723 11.4723 12.0290 12.0290 k = 0.1382 0.3410 0.8069 ( 3408 PWs) bands (ev): -32.4205 -32.4205 -13.7111 -13.7111 -13.3421 -13.3421 -13.3283 -13.3283 -1.1491 -1.1491 0.1994 0.1994 1.1429 1.1429 1.1592 1.1592 1.3385 1.3385 1.3944 1.3944 1.5249 1.5249 1.5543 1.5543 1.6682 1.6682 1.6983 1.6983 1.7615 1.7615 2.0108 2.0108 3.8123 3.8123 4.4975 4.4975 5.9166 5.9166 6.5868 6.5868 6.9709 6.9709 9.1671 9.1671 11.4126 11.4126 11.4712 11.4712 12.0392 12.0392 k = 0.1447 0.3290 0.8205 ( 3410 PWs) bands (ev): -32.4205 -32.4205 -13.7114 -13.7114 -13.3418 -13.3418 -13.3294 -13.3294 -1.1351 -1.1351 0.2192 0.2192 1.1377 1.1377 1.1525 1.1525 1.3425 1.3425 1.4009 1.4009 1.5243 1.5243 1.5531 1.5531 1.6726 1.6726 1.7028 1.7028 1.7625 1.7625 2.0328 2.0328 3.8302 3.8302 4.4866 4.4866 5.8406 5.8406 6.5088 6.5088 6.9108 6.9108 9.1471 9.1471 11.3703 11.3703 11.4998 11.4998 12.0483 12.0483 k = 0.1513 0.3170 0.8342 ( 3416 PWs) bands (ev): -32.4204 -32.4204 -13.7117 -13.7117 -13.3415 -13.3415 -13.3305 -13.3305 -1.1214 -1.1214 0.2386 0.2386 1.1327 1.1327 1.1461 1.1461 1.3467 1.3467 1.4078 1.4078 1.5237 1.5237 1.5519 1.5519 1.6770 1.6770 1.7072 1.7072 1.7631 1.7631 2.0560 2.0560 3.8477 3.8477 4.4696 4.4696 5.7691 5.7691 6.4417 6.4417 6.8512 6.8512 9.1211 9.1211 11.3390 11.3390 11.5272 11.5272 12.0570 12.0570 k = 0.1579 0.3050 0.8479 ( 3412 PWs) bands (ev): -32.4203 -32.4203 -13.7120 -13.7120 -13.3413 -13.3413 -13.3315 -13.3315 -1.1079 -1.1079 0.2573 0.2573 1.1279 1.1279 1.1400 1.1400 1.3509 1.3509 1.4150 1.4150 1.5231 1.5231 1.5507 1.5507 1.6814 1.6814 1.7115 1.7115 1.7635 1.7635 2.0801 2.0801 3.8645 3.8645 4.4464 4.4464 5.7026 5.7026 6.3859 6.3859 6.7926 6.7926 9.0892 9.0892 11.3195 11.3195 11.5521 11.5521 12.0661 12.0661 k = 0.1645 0.2930 0.8616 ( 3412 PWs) bands (ev): -32.4202 -32.4202 -13.7123 -13.7123 -13.3410 -13.3410 -13.3325 -13.3325 -1.0947 -1.0947 0.2753 0.2753 1.1231 1.1231 1.1341 1.1341 1.3552 1.3552 1.4224 1.4224 1.5225 1.5225 1.5495 1.5495 1.6857 1.6857 1.7155 1.7155 1.7635 1.7635 2.1052 2.1052 3.8805 3.8805 4.4173 4.4173 5.6411 5.6411 6.3411 6.3411 6.7353 6.7353 9.0520 9.0520 11.3113 11.3113 11.5743 11.5743 12.0758 12.0758 k = 0.1711 0.2811 0.8752 ( 3406 PWs) bands (ev): -32.4202 -32.4202 -13.7126 -13.7126 -13.3407 -13.3407 -13.3334 -13.3334 -1.0820 -1.0820 0.2925 0.2925 1.1186 1.1186 1.1287 1.1287 1.3596 1.3596 1.4300 1.4300 1.5220 1.5220 1.5482 1.5482 1.6901 1.6901 1.7194 1.7194 1.7633 1.7633 2.1311 2.1311 3.8955 3.8955 4.3825 4.3825 5.5850 5.5850 6.3068 6.3068 6.6797 6.6797 9.0104 9.0104 11.3139 11.3139 11.5936 11.5936 12.0865 12.0865 k = 0.1776 0.2691 0.8889 ( 3404 PWs) bands (ev): -32.4201 -32.4201 -13.7128 -13.7128 -13.3405 -13.3405 -13.3342 -13.3342 -1.0699 -1.0699 0.3086 0.3086 1.1143 1.1143 1.1235 1.1235 1.3640 1.3640 1.4377 1.4377 1.5213 1.5213 1.5467 1.5467 1.6943 1.6943 1.7231 1.7231 1.7627 1.7627 2.1577 2.1577 3.9093 3.9093 4.3431 4.3431 5.5343 5.5343 6.2822 6.2822 6.6261 6.6261 8.9655 8.9655 11.3263 11.3263 11.6098 11.6098 12.0982 12.0982 k = 0.1842 0.2571 0.9026 ( 3404 PWs) bands (ev): -32.4200 -32.4200 -13.7131 -13.7131 -13.3403 -13.3403 -13.3349 -13.3349 -1.0584 -1.0584 0.3237 0.3237 1.1103 1.1103 1.1187 1.1187 1.3684 1.3684 1.4453 1.4453 1.5207 1.5207 1.5452 1.5452 1.6985 1.6985 1.7264 1.7264 1.7619 1.7619 2.1848 2.1848 3.9218 3.9218 4.3000 4.3000 5.4892 5.4892 6.2662 6.2662 6.5749 6.5749 8.9185 8.9185 11.3473 11.3473 11.6231 11.6231 12.1108 12.1108 k = 0.1908 0.2451 0.9163 ( 3406 PWs) bands (ev): -32.4200 -32.4200 -13.7133 -13.7133 -13.3402 -13.3402 -13.3356 -13.3356 -1.0478 -1.0478 0.3375 0.3375 1.1065 1.1065 1.1144 1.1144 1.3727 1.3727 1.4528 1.4528 1.5199 1.5199 1.5435 1.5435 1.7026 1.7026 1.7295 1.7295 1.7608 1.7608 2.2120 2.2120 3.9329 3.9329 4.2546 4.2546 5.4497 5.4497 6.2575 6.2575 6.5266 6.5266 8.8706 8.8706 11.3758 11.3758 11.6337 11.6337 12.1240 12.1240 k = 0.1974 0.2331 0.9299 ( 3408 PWs) bands (ev): -32.4199 -32.4199 -13.7136 -13.7136 -13.3402 -13.3402 -13.3362 -13.3362 -1.0379 -1.0379 0.3500 0.3500 1.1030 1.1030 1.1104 1.1104 1.3769 1.3769 1.4602 1.4602 1.5192 1.5192 1.5416 1.5416 1.7065 1.7065 1.7323 1.7323 1.7595 1.7595 2.2390 2.2390 3.9426 3.9426 4.2082 4.2082 5.4155 5.4155 6.2547 6.2547 6.4816 6.4816 8.8233 8.8233 11.4101 11.4101 11.6418 11.6418 12.1375 12.1375 k = 0.2039 0.2211 0.9436 ( 3408 PWs) bands (ev): -32.4199 -32.4199 -13.7138 -13.7138 -13.3402 -13.3402 -13.3366 -13.3366 -1.0290 -1.0290 0.3613 0.3613 1.0999 1.0999 1.1068 1.1068 1.3809 1.3809 1.4673 1.4673 1.5183 1.5183 1.5396 1.5396 1.7104 1.7104 1.7348 1.7348 1.7580 1.7580 2.2652 2.2652 3.9508 3.9508 4.1625 4.1625 5.3866 5.3866 6.2565 6.2565 6.4403 6.4403 8.7777 8.7777 11.4488 11.4488 11.6479 11.6479 12.1506 12.1506 k = 0.2105 0.2091 0.9573 ( 3410 PWs) bands (ev): -32.4198 -32.4198 -13.7140 -13.7140 -13.3403 -13.3403 -13.3369 -13.3369 -1.0211 -1.0211 0.3711 0.3711 1.0971 1.0971 1.1037 1.1037 1.3846 1.3846 1.4741 1.4741 1.5175 1.5175 1.5374 1.5374 1.7141 1.7141 1.7369 1.7369 1.7563 1.7563 2.2900 2.2900 3.9576 3.9576 4.1188 4.1188 5.3627 5.3627 6.2613 6.2613 6.4033 6.4033 8.7353 8.7353 11.4900 11.4900 11.6523 11.6523 12.1630 12.1630 k = 0.2171 0.1971 0.9710 ( 3414 PWs) bands (ev): -32.4198 -32.4198 -13.7141 -13.7141 -13.3404 -13.3404 -13.3371 -13.3371 -1.0143 -1.0143 0.3794 0.3794 1.0947 1.0947 1.1010 1.1010 1.3880 1.3880 1.4805 1.4805 1.5167 1.5167 1.5351 1.5351 1.7176 1.7176 1.7387 1.7387 1.7546 1.7546 2.3129 2.3129 3.9630 3.9630 4.0787 4.0787 5.3434 5.3434 6.2680 6.2680 6.3709 6.3709 8.6970 8.6970 11.5316 11.5316 11.6554 11.6554 12.1743 12.1743 k = 0.2237 0.1851 0.9846 ( 3410 PWs) bands (ev): -32.4198 -32.4198 -13.7142 -13.7142 -13.3405 -13.3405 -13.3372 -13.3372 -1.0086 -1.0086 0.3864 0.3864 1.0928 1.0928 1.0989 1.0989 1.3909 1.3909 1.4864 1.4864 1.5158 1.5158 1.5326 1.5326 1.7209 1.7209 1.7399 1.7399 1.7529 1.7529 2.3330 2.3330 3.9672 3.9672 4.0436 4.0436 5.3284 5.3284 6.2753 6.2753 6.3437 6.3437 8.6641 8.6641 11.5714 11.5714 11.6575 11.6575 12.1840 12.1840 k = 0.2303 0.1732 0.9983 ( 3410 PWs) bands (ev): -32.4198 -32.4198 -13.7143 -13.7143 -13.3407 -13.3407 -13.3373 -13.3373 -1.0042 -1.0042 0.3917 0.3917 1.0912 1.0912 1.0972 1.0972 1.3932 1.3932 1.4916 1.4916 1.5151 1.5151 1.5302 1.5302 1.7239 1.7239 1.7407 1.7407 1.7514 1.7514 2.3496 2.3496 3.9702 3.9702 4.0149 4.0149 5.3172 5.3172 6.2821 6.2821 6.3220 6.3220 8.6374 8.6374 11.6067 11.6067 11.6590 11.6590 12.1918 12.1918 k = 0.2368 0.1612 1.0120 ( 3406 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3373 -13.3373 -1.0010 -1.0010 0.3956 0.3956 1.0901 1.0901 1.0960 1.0960 1.3950 1.3950 1.4961 1.4961 1.5143 1.5143 1.5280 1.5280 1.7265 1.7265 1.7410 1.7410 1.7502 1.7502 2.3621 2.3621 3.9721 3.9721 3.9937 3.9937 5.3095 5.3095 6.2877 6.2877 6.3063 6.3063 8.6177 8.6177 11.6344 11.6344 11.6601 11.6601 12.1975 12.1975 k = 0.2434 0.1492 1.0257 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3373 -13.3373 -0.9990 -0.9990 0.3979 0.3979 1.0894 1.0894 1.0952 1.0952 1.3960 1.3960 1.4992 1.4992 1.5137 1.5137 1.5264 1.5264 1.7283 1.7283 1.7409 1.7409 1.7495 1.7495 2.3698 2.3698 3.9723 3.9723 3.9814 3.9814 5.3050 5.3050 6.2912 6.2912 6.2968 6.2968 8.6057 8.6057 11.6513 11.6513 11.6619 11.6619 12.2010 12.2010 k = 0.2500 0.1372 1.0393 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3987 0.3987 1.0892 1.0892 1.0950 1.0950 1.3964 1.3964 1.5003 1.5003 1.5134 1.5134 1.5258 1.5258 1.7289 1.7289 1.7407 1.7407 1.7493 1.7493 2.3725 2.3725 3.9714 3.9714 3.9783 3.9783 5.3035 5.3035 6.2920 6.2920 6.2939 6.2939 8.6016 8.6016 11.6556 11.6556 11.6641 11.6641 12.2022 12.2022 k = 0.2500 0.1372 1.0393 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3987 0.3987 1.0892 1.0892 1.0950 1.0950 1.3964 1.3964 1.5003 1.5003 1.5134 1.5134 1.5258 1.5258 1.7289 1.7289 1.7407 1.7407 1.7493 1.7493 2.3725 2.3725 3.9714 3.9714 3.9783 3.9783 5.3035 5.3035 6.2920 6.2920 6.2939 6.2939 8.6016 8.6016 11.6556 11.6556 11.6641 11.6641 12.2022 12.2022 k = 0.2647 0.1453 1.0301 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3373 -13.3373 -0.9985 -0.9985 0.3985 0.3985 1.0892 1.0892 1.0951 1.0951 1.3963 1.3963 1.5000 1.5000 1.5135 1.5135 1.5259 1.5259 1.7288 1.7288 1.7407 1.7407 1.7493 1.7493 2.3722 2.3722 3.9599 3.9599 3.9912 3.9912 5.3026 5.3026 6.2384 6.2384 6.3487 6.3487 8.6066 8.6066 11.5636 11.5636 11.7542 11.7542 12.1775 12.1775 k = 0.2794 0.1533 1.0209 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3373 -13.3373 -0.9989 -0.9989 0.3979 0.3979 1.0894 1.0894 1.0952 1.0952 1.3961 1.3961 1.4990 1.4990 1.5137 1.5137 1.5262 1.5262 1.7283 1.7283 1.7407 1.7407 1.7494 1.7494 2.3711 2.3711 3.9467 3.9467 4.0095 4.0095 5.2996 5.2996 6.1853 6.1853 6.4058 6.4058 8.6211 8.6211 11.4683 11.4683 11.8435 11.8435 12.1112 12.1112 k = 0.2941 0.1614 1.0117 ( 3417 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9994 -0.9994 0.3967 0.3967 1.0897 1.0897 1.0954 1.0954 1.3958 1.3958 1.4974 1.4974 1.5139 1.5139 1.5266 1.5266 1.7276 1.7276 1.7407 1.7407 1.7494 1.7494 2.3687 2.3687 3.9344 3.9344 4.0311 4.0311 5.2937 5.2937 6.1350 6.1350 6.4634 6.4634 8.6447 8.6447 11.3742 11.3742 11.9215 11.9215 12.0242 12.0242 k = 0.3088 0.1695 1.0025 ( 3411 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3373 -13.3373 -1.0000 -1.0000 0.3950 0.3950 1.0903 1.0903 1.0957 1.0957 1.3954 1.3954 1.4956 1.4956 1.5143 1.5143 1.5271 1.5271 1.7269 1.7269 1.7406 1.7406 1.7496 1.7496 2.3648 2.3648 3.9232 3.9232 4.0564 4.0564 5.2846 5.2846 6.0883 6.0883 6.5212 6.5212 8.6766 8.6766 11.2822 11.2822 11.8869 11.8869 12.0300 12.0300 k = 0.3235 0.1775 0.9933 ( 3409 PWs) bands (ev): -32.4198 -32.4198 -13.7144 -13.7144 -13.3408 -13.3408 -13.3373 -13.3373 -1.0007 -1.0007 0.3926 0.3926 1.0909 1.0909 1.0961 1.0961 1.3949 1.3949 1.4936 1.4936 1.5147 1.5147 1.5275 1.5275 1.7261 1.7261 1.7404 1.7404 1.7497 1.7497 2.3590 2.3590 3.9132 3.9132 4.0856 4.0856 5.2720 5.2720 6.0459 6.0459 6.5788 6.5788 8.7160 8.7160 11.1929 11.1929 11.7714 11.7714 12.1048 12.1048 k = 0.3382 0.1856 0.9841 ( 3413 PWs) bands (ev): -32.4198 -32.4198 -13.7144 -13.7144 -13.3407 -13.3407 -13.3373 -13.3373 -1.0013 -1.0013 0.3894 0.3894 1.0916 1.0916 1.0967 1.0967 1.3943 1.3943 1.4914 1.4914 1.5151 1.5151 1.5279 1.5279 1.7252 1.7252 1.7401 1.7401 1.7498 1.7498 2.3510 2.3510 3.9043 3.9043 4.1190 4.1190 5.2559 5.2559 6.0083 6.0083 6.6358 6.6358 8.7619 8.7619 11.1071 11.1071 11.6486 11.6486 12.1802 12.1802 k = 0.3529 0.1937 0.9749 ( 3409 PWs) bands (ev): -32.4198 -32.4198 -13.7143 -13.7143 -13.3406 -13.3406 -13.3373 -13.3373 -1.0019 -1.0019 0.3855 0.3855 1.0923 1.0923 1.0975 1.0975 1.3936 1.3936 1.4892 1.4892 1.5155 1.5155 1.5282 1.5282 1.7244 1.7244 1.7398 1.7398 1.7500 1.7500 2.3407 2.3407 3.8967 3.8967 4.1567 4.1567 5.2364 5.2364 5.9760 5.9760 6.6917 6.6917 8.8135 8.8135 11.0256 11.0256 11.5254 11.5254 12.2527 12.2527 k = 0.3676 0.2017 0.9657 ( 3404 PWs) bands (ev): -32.4198 -32.4198 -13.7142 -13.7142 -13.3405 -13.3405 -13.3372 -13.3372 -1.0024 -1.0024 0.3807 0.3807 1.0929 1.0929 1.0986 1.0986 1.3929 1.3929 1.4869 1.4869 1.5159 1.5159 1.5285 1.5285 1.7237 1.7237 1.7395 1.7395 1.7501 1.7501 2.3280 2.3280 3.8904 3.8904 4.1986 4.1986 5.2140 5.2140 5.9488 5.9488 6.7459 6.7459 8.8693 8.8693 10.9490 10.9490 11.4048 11.4048 12.3221 12.3221 k = 0.3824 0.2098 0.9565 ( 3402 PWs) bands (ev): -32.4198 -32.4198 -13.7142 -13.7142 -13.3404 -13.3404 -13.3372 -13.3372 -1.0028 -1.0028 0.3751 0.3751 1.0935 1.0935 1.1000 1.1000 1.3920 1.3920 1.4847 1.4847 1.5163 1.5163 1.5288 1.5288 1.7229 1.7229 1.7392 1.7392 1.7502 1.7502 2.3131 2.3131 3.8854 3.8854 4.2446 4.2446 5.1893 5.1893 5.9270 5.9270 6.7980 6.7980 8.9282 8.9282 10.8782 10.8782 11.2891 11.2891 12.3882 12.3882 k = 0.3971 0.2179 0.9473 ( 3400 PWs) bands (ev): -32.4198 -32.4198 -13.7141 -13.7141 -13.3403 -13.3403 -13.3372 -13.3372 -1.0031 -1.0031 0.3685 0.3685 1.0939 1.0939 1.1017 1.1017 1.3911 1.3911 1.4826 1.4826 1.5166 1.5166 1.5291 1.5291 1.7221 1.7221 1.7390 1.7390 1.7502 1.7502 2.2959 2.2959 3.8817 3.8817 4.2942 4.2942 5.1631 5.1631 5.9101 5.9101 6.8474 6.8474 8.9883 8.9883 10.8137 10.8137 11.1803 11.1803 12.4514 12.4514 k = 0.4118 0.2260 0.9381 ( 3396 PWs) bands (ev): -32.4198 -32.4198 -13.7140 -13.7140 -13.3402 -13.3402 -13.3372 -13.3372 -1.0033 -1.0033 0.3611 0.3611 1.0943 1.0943 1.1038 1.1038 1.3901 1.3901 1.4806 1.4806 1.5169 1.5169 1.5294 1.5294 1.7213 1.7213 1.7388 1.7388 1.7503 1.7503 2.2768 2.2768 3.8794 3.8794 4.3470 4.3470 5.1362 5.1362 5.8980 5.8980 6.8935 6.8935 9.0480 9.0480 10.7563 10.7563 11.0806 11.0806 12.5120 12.5120 k = 0.4265 0.2340 0.9289 ( 3392 PWs) bands (ev): -32.4198 -32.4198 -13.7139 -13.7139 -13.3400 -13.3400 -13.3372 -13.3372 -1.0034 -1.0034 0.3528 0.3528 1.0946 1.0946 1.1062 1.1062 1.3890 1.3890 1.4786 1.4786 1.5172 1.5172 1.5298 1.5298 1.7205 1.7205 1.7388 1.7388 1.7503 1.7503 2.2558 2.2558 3.8784 3.8784 4.4023 4.4023 5.1094 5.1094 5.8906 5.8906 6.9358 6.9358 9.1050 9.1050 10.7067 10.7067 10.9921 10.9921 12.5703 12.5703 k = 0.4412 0.2421 0.9197 ( 3398 PWs) bands (ev): -32.4198 -32.4198 -13.7139 -13.7139 -13.3399 -13.3399 -13.3372 -13.3372 -1.0035 -1.0035 0.3437 0.3437 1.0948 1.0948 1.1087 1.1087 1.3877 1.3877 1.4767 1.4767 1.5174 1.5174 1.5302 1.5302 1.7195 1.7195 1.7388 1.7388 1.7504 1.7504 2.2334 2.2334 3.8789 3.8789 4.4593 4.4593 5.0834 5.0834 5.8878 5.8878 6.9737 6.9737 9.1569 9.1569 10.6655 10.6655 10.9173 10.9173 12.6268 12.6268 k = 0.4559 0.2502 0.9105 ( 3398 PWs) bands (ev): -32.4199 -32.4199 -13.7138 -13.7138 -13.3397 -13.3397 -13.3371 -13.3371 -1.0036 -1.0036 0.3338 0.3338 1.0950 1.0950 1.1115 1.1115 1.3865 1.3865 1.4748 1.4748 1.5176 1.5176 1.5307 1.5307 1.7185 1.7185 1.7390 1.7390 1.7506 1.7506 2.2098 2.2098 3.8807 3.8807 4.5171 4.5171 5.0590 5.0590 5.8897 5.8897 7.0066 7.0066 9.2011 9.2011 10.6332 10.6332 10.8587 10.8587 12.6820 12.6820 k = 0.4706 0.2582 0.9013 ( 3408 PWs) bands (ev): -32.4199 -32.4199 -13.7137 -13.7137 -13.3396 -13.3396 -13.3372 -13.3372 -1.0038 -1.0038 0.3232 0.3232 1.0952 1.0952 1.1145 1.1145 1.3851 1.3851 1.4729 1.4729 1.5178 1.5178 1.5312 1.5312 1.7174 1.7174 1.7391 1.7391 1.7508 1.7508 2.1855 2.1855 3.8840 3.8840 4.5745 4.5745 5.0366 5.0366 5.8965 5.8965 7.0342 7.0342 9.2351 9.2351 10.6105 10.6105 10.8186 10.8186 12.7360 12.7360 k = 0.4853 0.2663 0.8921 ( 3408 PWs) bands (ev): -32.4199 -32.4199 -13.7136 -13.7136 -13.3394 -13.3394 -13.3371 -13.3371 -1.0042 -1.0042 0.3120 0.3120 1.0953 1.0953 1.1177 1.1177 1.3836 1.3836 1.4709 1.4709 1.5182 1.5182 1.5318 1.5318 1.7162 1.7162 1.7392 1.7392 1.7513 1.7513 2.1608 2.1608 3.8887 3.8887 4.6304 4.6304 5.0168 5.0168 5.9085 5.9085 7.0560 7.0560 9.2569 9.2569 10.5975 10.5975 10.7990 10.7990 12.7892 12.7892 k = 0.5000 0.2744 0.8829 ( 3416 PWs) bands (ev): -32.4199 -32.4199 -13.7136 -13.7136 -13.3392 -13.3392 -13.3371 -13.3371 -1.0049 -1.0049 0.3004 0.3004 1.0953 1.0953 1.1211 1.1211 1.3821 1.3821 1.4688 1.4688 1.5185 1.5185 1.5325 1.5325 1.7149 1.7149 1.7391 1.7391 1.7519 1.7519 2.1361 2.1361 3.8949 3.8949 4.6833 4.6833 5.0001 5.0001 5.9265 5.9265 7.0718 7.0718 9.2658 9.2658 10.5947 10.5947 10.8004 10.8004 12.8376 12.8376 k = 0.5000 0.2744 0.8829 ( 3416 PWs) bands (ev): -32.4199 -32.4199 -13.7136 -13.7136 -13.3392 -13.3392 -13.3371 -13.3371 -1.0049 -1.0049 0.3004 0.3004 1.0953 1.0953 1.1211 1.1211 1.3821 1.3821 1.4688 1.4688 1.5185 1.5185 1.5325 1.5325 1.7149 1.7149 1.7391 1.7391 1.7519 1.7519 2.1361 2.1361 3.8949 3.8949 4.6833 4.6833 5.0001 5.0001 5.9265 5.9265 7.0718 7.0718 9.2658 9.2658 10.5947 10.5947 10.8004 10.8004 12.8376 12.8376 k = 0.5000 0.2744 0.8632 ( 3410 PWs) bands (ev): -32.4200 -32.4200 -13.7133 -13.7133 -13.3387 -13.3387 -13.3370 -13.3370 -1.0068 -1.0068 0.2737 0.2737 1.0954 1.0954 1.1289 1.1289 1.3788 1.3788 1.4638 1.4638 1.5197 1.5197 1.5340 1.5340 1.7119 1.7119 1.7385 1.7385 1.7538 1.7538 2.0842 2.0842 3.9107 3.9107 4.7944 4.7944 4.9687 4.9687 5.9726 5.9726 7.1005 7.1005 9.2715 9.2715 10.6000 10.6000 10.8248 10.8248 12.8444 12.8444 k = 0.5000 0.2744 0.8436 ( 3410 PWs) bands (ev): -32.4201 -32.4201 -13.7130 -13.7130 -13.3383 -13.3383 -13.3370 -13.3370 -1.0092 -1.0092 0.2438 0.2438 1.0956 1.0956 1.1372 1.1372 1.3754 1.3754 1.4583 1.4583 1.5208 1.5208 1.5356 1.5356 1.7087 1.7087 1.7377 1.7377 1.7558 1.7558 2.0334 2.0334 3.9284 3.9284 4.9042 4.9042 4.9453 4.9453 6.0209 6.0209 7.1326 7.1326 9.2787 9.2787 10.6061 10.6061 10.8459 10.8459 12.8473 12.8473 k = 0.5000 0.2744 0.8240 ( 3418 PWs) bands (ev): -32.4201 -32.4201 -13.7127 -13.7127 -13.3378 -13.3378 -13.3368 -13.3368 -1.0119 -1.0119 0.2106 0.2106 1.0957 1.0957 1.1457 1.1457 1.3720 1.3720 1.4522 1.4522 1.5219 1.5219 1.5371 1.5371 1.7053 1.7053 1.7367 1.7367 1.7578 1.7578 1.9846 1.9846 3.9481 3.9481 4.9035 4.9035 5.0386 5.0386 6.0713 6.0713 7.1679 7.1679 9.2875 9.2875 10.6131 10.6131 10.8621 10.8621 12.8577 12.8577 k = 0.5000 0.2744 0.8044 ( 3422 PWs) bands (ev): -32.4202 -32.4202 -13.7124 -13.7124 -13.3375 -13.3375 -13.3365 -13.3365 -1.0152 -1.0152 0.1744 0.1744 1.0959 1.0959 1.1545 1.1545 1.3688 1.3688 1.4454 1.4454 1.5230 1.5230 1.5387 1.5387 1.7018 1.7018 1.7355 1.7355 1.7597 1.7597 1.9384 1.9384 3.9700 3.9700 4.8769 4.8769 5.1637 5.1637 6.1235 6.1235 7.2064 7.2064 9.2983 9.2983 10.6210 10.6210 10.8721 10.8721 12.8764 12.8764 k = 0.5000 0.2744 0.7848 ( 3424 PWs) bands (ev): -32.4203 -32.4203 -13.7121 -13.7121 -13.3373 -13.3373 -13.3360 -13.3360 -1.0189 -1.0189 0.1351 0.1351 1.0962 1.0962 1.1632 1.1632 1.3659 1.3659 1.4380 1.4380 1.5241 1.5241 1.5404 1.5404 1.6983 1.6983 1.7342 1.7342 1.7614 1.7614 1.8955 1.8955 3.9939 3.9939 4.8519 4.8519 5.2929 5.2929 6.1776 6.1776 7.2480 7.2480 9.3113 9.3113 10.6299 10.6299 10.8749 10.8749 12.9022 12.9022 k = 0.5000 0.2744 0.7651 ( 3424 PWs) bands (ev): -32.4204 -32.4204 -13.7117 -13.7117 -13.3371 -13.3371 -13.3353 -13.3353 -1.0232 -1.0232 0.0931 0.0931 1.0966 1.0966 1.1716 1.1716 1.3632 1.3632 1.4300 1.4300 1.5250 1.5250 1.5421 1.5421 1.6949 1.6949 1.7327 1.7327 1.7629 1.7629 1.8561 1.8561 4.0200 4.0200 4.8296 4.8296 5.4249 5.4249 6.2332 6.2332 7.2928 7.2928 9.3268 9.3268 10.6399 10.6399 10.8701 10.8701 12.9313 12.9314 k = 0.5000 0.2744 0.7455 ( 3416 PWs) bands (ev): -32.4204 -32.4204 -13.7113 -13.7113 -13.3370 -13.3370 -13.3345 -13.3345 -1.0281 -1.0281 0.0485 0.0485 1.0970 1.0970 1.1796 1.1796 1.3610 1.3610 1.4214 1.4214 1.5260 1.5260 1.5440 1.5440 1.6915 1.6915 1.7310 1.7310 1.7640 1.7640 1.8205 1.8205 4.0483 4.0483 4.8107 4.8107 5.5588 5.5588 6.2904 6.2904 7.3406 7.3406 9.3451 9.3451 10.6511 10.6511 10.8577 10.8577 12.9562 12.9563 k = 0.5000 0.2744 0.7259 ( 3424 PWs) bands (ev): -32.4205 -32.4205 -13.7109 -13.7109 -13.3369 -13.3369 -13.3338 -13.3338 -1.0336 -1.0336 0.0016 0.0016 1.0975 1.0975 1.1867 1.1867 1.3590 1.3590 1.4123 1.4123 1.5266 1.5266 1.5461 1.5461 1.6883 1.6883 1.7288 1.7288 1.7646 1.7646 1.7893 1.7893 4.0789 4.0789 4.7954 4.7954 5.6942 5.6942 6.3490 6.3490 7.3914 7.3914 9.3665 9.3665 10.6634 10.6634 10.8382 10.8382 12.9685 12.9686 k = 0.5000 0.2744 0.7063 ( 3428 PWs) bands (ev): -32.4206 -32.4206 -13.7105 -13.7105 -13.3369 -13.3369 -13.3329 -13.3329 -1.0398 -1.0398 -0.0473 -0.0473 1.0980 1.0980 1.1930 1.1930 1.3574 1.3574 1.4027 1.4027 1.5269 1.5269 1.5485 1.5485 1.6852 1.6852 1.7254 1.7254 1.7619 1.7619 1.7661 1.7661 4.1118 4.1118 4.7841 4.7841 5.8303 5.8303 6.4090 6.4090 7.4452 7.4452 9.3913 9.3913 10.6770 10.6770 10.8124 10.8124 12.9622 12.9625 k = 0.5000 0.2744 0.6867 ( 3428 PWs) bands (ev): -32.4207 -32.4207 -13.7100 -13.7100 -13.3368 -13.3368 -13.3320 -13.3320 -1.0466 -1.0466 -0.0980 -0.0980 1.0987 1.0987 1.1982 1.1982 1.3558 1.3558 1.3930 1.3930 1.5267 1.5267 1.5515 1.5515 1.6820 1.6820 1.7188 1.7188 1.7438 1.7438 1.7652 1.7652 4.1471 4.1471 4.7771 4.7771 5.9669 5.9669 6.4701 6.4701 7.5019 7.5019 9.4199 9.4199 10.6919 10.6919 10.7815 10.7815 12.9024 12.9025 k = 0.5000 0.2744 0.6671 ( 3424 PWs) bands (ev): -32.4208 -32.4208 -13.7096 -13.7096 -13.3367 -13.3367 -13.3311 -13.3311 -1.0542 -1.0542 -0.1502 -0.1502 1.0994 1.0994 1.2020 1.2020 1.3539 1.3539 1.3835 1.3835 1.5258 1.5258 1.5553 1.5553 1.6783 1.6783 1.7070 1.7070 1.7345 1.7345 1.7648 1.7648 4.1848 4.1848 4.7747 4.7747 6.1031 6.1031 6.5322 6.5322 7.5615 7.5615 9.4525 9.4525 10.7081 10.7081 10.7466 10.7466 12.8247 12.8247 k = 0.5000 0.2744 0.6474 ( 3424 PWs) bands (ev): -32.4209 -32.4209 -13.7091 -13.7091 -13.3366 -13.3366 -13.3301 -13.3301 -1.0625 -1.0625 -0.2034 -0.2034 1.1002 1.1002 1.2047 1.2047 1.3508 1.3508 1.3750 1.3750 1.5241 1.5241 1.5600 1.5600 1.6732 1.6732 1.6952 1.6952 1.7304 1.7304 1.7640 1.7640 4.2250 4.2250 4.7771 4.7771 6.2386 6.2386 6.5952 6.5952 7.6238 7.6238 9.4896 9.4896 10.7086 10.7086 10.7261 10.7261 12.7362 12.7362 k = 0.5000 0.2744 0.6278 ( 3432 PWs) bands (ev): -32.4210 -32.4210 -13.7086 -13.7086 -13.3365 -13.3365 -13.3291 -13.3291 -1.0715 -1.0715 -0.2574 -0.2574 1.1010 1.1010 1.2060 1.2060 1.3453 1.3453 1.3687 1.3687 1.5212 1.5212 1.5657 1.5657 1.6657 1.6657 1.6878 1.6878 1.7278 1.7278 1.7630 1.7630 4.2678 4.2678 4.7845 4.7845 6.3728 6.3728 6.6590 6.6590 7.6888 7.6888 9.5315 9.5315 10.6696 10.6696 10.7449 10.7449 12.6371 12.6371 k = 0.5000 0.2744 0.6082 ( 3424 PWs) bands (ev): -32.4211 -32.4211 -13.7080 -13.7080 -13.3363 -13.3363 -13.3280 -13.3280 -1.0813 -1.0813 -0.3120 -0.3120 1.1019 1.1019 1.2062 1.2062 1.3372 1.3372 1.3647 1.3647 1.5174 1.5174 1.5725 1.5725 1.6574 1.6574 1.6841 1.6841 1.7258 1.7258 1.7619 1.7619 4.3132 4.3132 4.7969 4.7969 6.5049 6.5049 6.7234 6.7234 7.7565 7.7565 9.5784 9.5784 10.6299 10.6299 10.7653 10.7653 12.5279 12.5279 k = 0.5000 0.2744 0.5886 ( 3424 PWs) bands (ev): -32.4213 -32.4213 -13.7075 -13.7075 -13.3362 -13.3362 -13.3269 -13.3269 -1.0917 -1.0917 -0.3668 -0.3668 1.1028 1.1028 1.2053 1.2053 1.3274 1.3274 1.3619 1.3619 1.5125 1.5125 1.5803 1.5803 1.6500 1.6500 1.6822 1.6822 1.7241 1.7241 1.7609 1.7609 4.3612 4.3612 4.8145 4.8145 6.6340 6.6340 6.7888 6.7888 7.8268 7.8268 9.6307 9.6307 10.5908 10.5908 10.7871 10.7871 12.4093 12.4093 k = 0.5000 0.2744 0.5690 ( 3428 PWs) bands (ev): -32.4214 -32.4214 -13.7070 -13.7070 -13.3361 -13.3361 -13.3259 -13.3259 -1.1029 -1.1029 -0.4215 -0.4215 1.1037 1.1037 1.2033 1.2033 1.3170 1.3170 1.3594 1.3594 1.5066 1.5066 1.5888 1.5888 1.6443 1.6443 1.6810 1.6810 1.7227 1.7227 1.7599 1.7599 4.4120 4.4120 4.8373 4.8373 6.7578 6.7578 6.8565 6.8565 7.8996 7.8996 9.6887 9.6887 10.5532 10.5532 10.8102 10.8102 12.2823 12.2823 k = 0.5000 0.2744 0.5493 ( 3430 PWs) bands (ev): -32.4215 -32.4215 -13.7065 -13.7065 -13.3360 -13.3360 -13.3248 -13.3248 -1.1147 -1.1147 -0.4759 -0.4759 1.1046 1.1046 1.2006 1.2006 1.3063 1.3063 1.3567 1.3567 1.5000 1.5000 1.5977 1.5977 1.6402 1.6402 1.6803 1.6803 1.7219 1.7219 1.7592 1.7592 4.4655 4.4655 4.8652 4.8652 6.8688 6.8688 6.9335 6.9335 7.9749 7.9749 9.7524 9.7524 10.5179 10.5179 10.8343 10.8343 12.1480 12.1480 k = 0.5000 0.2744 0.5297 ( 3430 PWs) bands (ev): -32.4216 -32.4216 -13.7059 -13.7059 -13.3358 -13.3358 -13.3236 -13.3236 -1.1272 -1.1272 -0.5299 -0.5299 1.1056 1.1056 1.1970 1.1970 1.2957 1.2957 1.3537 1.3537 1.4929 1.4929 1.6066 1.6066 1.6378 1.6378 1.6797 1.6797 1.7217 1.7217 1.7589 1.7589 4.5218 4.5218 4.8983 4.8983 6.9528 6.9528 7.0331 7.0331 8.0525 8.0525 9.8221 9.8221 10.4857 10.4857 10.8591 10.8591 12.0078 12.0078 k = 0.5000 0.2744 0.5101 ( 3430 PWs) bands (ev): -32.4217 -32.4217 -13.7054 -13.7054 -13.3357 -13.3357 -13.3225 -13.3225 -1.1402 -1.1402 -0.5830 -0.5830 1.1065 1.1065 1.1929 1.1929 1.2853 1.2853 1.3502 1.3502 1.4854 1.4854 1.6146 1.6146 1.6372 1.6372 1.6789 1.6789 1.7226 1.7226 1.7591 1.7591 4.5809 4.5809 4.9365 4.9365 7.0196 7.0196 7.1448 7.1448 8.1323 8.1323 9.8977 9.8977 10.4573 10.4573 10.8840 10.8840 11.8636 11.8636 k = 0.5000 0.2744 0.4905 ( 3424 PWs) bands (ev): -32.4218 -32.4218 -13.7048 -13.7048 -13.3355 -13.3355 -13.3213 -13.3213 -1.1538 -1.1538 -0.6353 -0.6353 1.1074 1.1074 1.1882 1.1882 1.2751 1.2751 1.3464 1.3464 1.4777 1.4777 1.6205 1.6205 1.6389 1.6389 1.6779 1.6779 1.7248 1.7248 1.7599 1.7599 4.6429 4.6429 4.9796 4.9796 7.0803 7.0803 7.2569 7.2569 8.2144 8.2144 9.9790 9.9790 10.4333 10.4333 10.9076 10.9076 11.7176 11.7176 k = 0.5000 0.2744 0.4709 ( 3428 PWs) bands (ev): -32.4219 -32.4219 -13.7042 -13.7042 -13.3353 -13.3353 -13.3202 -13.3202 -1.1679 -1.1679 -0.6865 -0.6865 1.1083 1.1083 1.1831 1.1831 1.2653 1.2653 1.3422 1.3422 1.4699 1.4699 1.6237 1.6237 1.6430 1.6430 1.6766 1.6766 1.7284 1.7284 1.7615 1.7615 4.7077 4.7077 5.0275 5.0275 7.1375 7.1375 7.3662 7.3662 8.2984 8.2984 10.0657 10.0657 10.4142 10.4142 10.9271 10.9271 11.5736 11.5736 k = 0.5000 0.2744 0.4512 ( 3428 PWs) bands (ev): -32.4221 -32.4221 -13.7037 -13.7037 -13.3352 -13.3352 -13.3190 -13.3190 -1.1823 -1.1823 -0.7364 -0.7364 1.1090 1.1090 1.1775 1.1775 1.2557 1.2557 1.3377 1.3377 1.4621 1.4621 1.6251 1.6251 1.6479 1.6479 1.6752 1.6752 1.7334 1.7334 1.7641 1.7641 4.7755 4.7755 5.0800 5.0800 7.1914 7.1914 7.4719 7.4719 8.3845 8.3845 10.1570 10.1570 10.4004 10.4004 10.9359 10.9359 11.4392 11.4392 k = 0.5000 0.2744 0.4316 ( 3436 PWs) bands (ev): -32.4222 -32.4222 -13.7032 -13.7032 -13.3350 -13.3350 -13.3179 -13.3179 -1.1971 -1.1971 -0.7849 -0.7849 1.1097 1.1097 1.1717 1.1717 1.2464 1.2464 1.3331 1.3331 1.4545 1.4545 1.6258 1.6258 1.6522 1.6522 1.6739 1.6739 1.7390 1.7390 1.7681 1.7681 4.8461 4.8461 5.1370 5.1370 7.2420 7.2420 7.5737 7.5737 8.4723 8.4723 10.2514 10.2514 10.3927 10.3927 10.9194 10.9194 11.3298 11.3298 k = 0.5000 0.2744 0.4120 ( 3436 PWs) bands (ev): -32.4223 -32.4223 -13.7026 -13.7026 -13.3349 -13.3349 -13.3167 -13.3167 -1.2121 -1.2121 -0.8319 -0.8319 1.1102 1.1102 1.1657 1.1657 1.2375 1.2375 1.3283 1.3283 1.4471 1.4471 1.6262 1.6262 1.6549 1.6549 1.6734 1.6734 1.7446 1.7446 1.7741 1.7741 4.9195 4.9195 5.1982 5.1982 7.2891 7.2891 7.6716 7.6716 8.5618 8.5618 10.3421 10.3421 10.3965 10.3965 10.8563 10.8563 11.2675 11.2675 k = 0.5000 0.2744 0.3924 ( 3436 PWs) bands (ev): -32.4224 -32.4224 -13.7021 -13.7021 -13.3347 -13.3347 -13.3156 -13.3156 -1.2273 -1.2273 -0.8773 -0.8773 1.1106 1.1106 1.1594 1.1594 1.2289 1.2289 1.3236 1.3236 1.4400 1.4400 1.6266 1.6266 1.6558 1.6558 1.6740 1.6740 1.7495 1.7495 1.7821 1.7821 4.9958 4.9958 5.2634 5.2634 7.3324 7.3324 7.7656 7.7656 8.6529 8.6529 10.3786 10.3786 10.4596 10.4596 10.7453 10.7453 11.2546 11.2546 k = 0.5000 0.2744 0.3728 ( 3432 PWs) bands (ev): -32.4225 -32.4225 -13.7016 -13.7016 -13.3345 -13.3345 -13.3145 -13.3145 -1.2425 -1.2425 -0.9210 -0.9210 1.1109 1.1109 1.1531 1.1531 1.2207 1.2207 1.3188 1.3188 1.4331 1.4331 1.6269 1.6269 1.6551 1.6551 1.6755 1.6755 1.7536 1.7536 1.7919 1.7919 5.0748 5.0748 5.3324 5.3324 7.3717 7.3717 7.8560 7.8560 8.7453 8.7453 10.3858 10.3858 10.5515 10.5515 10.6081 10.6081 11.2715 11.2715 k = 0.5000 0.2744 0.3531 ( 3440 PWs) bands (ev): -32.4226 -32.4226 -13.7011 -13.7011 -13.3344 -13.3344 -13.3134 -13.3134 -1.2576 -1.2576 -0.9628 -0.9628 1.1109 1.1109 1.1467 1.1467 1.2129 1.2129 1.3142 1.3142 1.4265 1.4265 1.6272 1.6272 1.6536 1.6536 1.6776 1.6776 1.7571 1.7571 1.8029 1.8029 5.1566 5.1566 5.4047 5.4047 7.4070 7.4070 7.9429 7.9429 8.8389 8.8389 10.3894 10.3894 10.4558 10.4558 10.6450 10.6450 11.3036 11.3036 k = 0.5000 0.2744 0.3335 ( 3436 PWs) bands (ev): -32.4227 -32.4227 -13.7006 -13.7006 -13.3342 -13.3342 -13.3123 -13.3123 -1.2727 -1.2727 -1.0028 -1.0028 1.1107 1.1107 1.1403 1.1403 1.2055 1.2055 1.3097 1.3097 1.4203 1.4203 1.6275 1.6275 1.6517 1.6517 1.6797 1.6797 1.7603 1.7603 1.8145 1.8145 5.2410 5.2410 5.4802 5.4802 7.4380 7.4380 8.0266 8.0266 8.9334 8.9334 10.2899 10.2899 10.4034 10.4034 10.7236 10.7236 11.3442 11.3442 k = 0.5000 0.2744 0.3139 ( 3428 PWs) bands (ev): -32.4228 -32.4228 -13.7001 -13.7001 -13.3340 -13.3340 -13.3113 -13.3113 -1.2875 -1.2875 -1.0408 -1.0408 1.1102 1.1102 1.1340 1.1340 1.1986 1.1986 1.3054 1.3054 1.4144 1.4144 1.6279 1.6279 1.6497 1.6497 1.6819 1.6819 1.7633 1.7633 1.8263 1.8263 5.3278 5.3278 5.5585 5.5585 7.4649 7.4649 8.1074 8.1074 9.0286 9.0286 10.1307 10.1307 10.4036 10.4036 10.7835 10.7835 11.3901 11.3901 k = 0.5000 0.2744 0.2943 ( 3432 PWs) bands (ev): -32.4229 -32.4229 -13.6996 -13.6996 -13.3338 -13.3338 -13.3103 -13.3103 -1.3020 -1.3020 -1.0767 -1.0767 1.1095 1.1095 1.1277 1.1277 1.1922 1.1922 1.3013 1.3013 1.4089 1.4089 1.6282 1.6282 1.6478 1.6478 1.6839 1.6839 1.7662 1.7662 1.8380 1.8380 5.4171 5.4171 5.6391 5.6391 7.4878 7.4878 8.1855 8.1855 9.1241 9.1241 9.9698 9.9698 10.3961 10.3961 10.8171 10.8171 11.4397 11.4397 k = 0.5000 0.2744 0.2747 ( 3428 PWs) bands (ev): -32.4230 -32.4230 -13.6992 -13.6992 -13.3337 -13.3337 -13.3093 -13.3093 -1.3161 -1.3161 -1.1106 -1.1106 1.1085 1.1085 1.1216 1.1216 1.1864 1.1864 1.2975 1.2975 1.4038 1.4038 1.6285 1.6285 1.6459 1.6459 1.6859 1.6859 1.7690 1.7690 1.8494 1.8494 5.5085 5.5085 5.7217 5.7217 7.5068 7.5068 8.2612 8.2612 9.2196 9.2196 9.8092 9.8092 10.3748 10.3748 10.8212 10.8212 11.4892 11.4892 k = 0.5000 0.2744 0.2550 ( 3420 PWs) bands (ev): -32.4230 -32.4230 -13.6987 -13.6987 -13.3335 -13.3335 -13.3084 -13.3084 -1.3297 -1.3297 -1.1423 -1.1423 1.1072 1.1072 1.1156 1.1156 1.1813 1.1813 1.2940 1.2940 1.3991 1.3991 1.6289 1.6289 1.6442 1.6442 1.6877 1.6877 1.7717 1.7717 1.8605 1.8605 5.6018 5.6018 5.8057 5.8057 7.5222 7.5222 8.3345 8.3345 9.3147 9.3147 9.6500 9.6500 10.3354 10.3354 10.7984 10.7984 11.4767 11.4767 k = 0.5000 0.2744 0.2354 ( 3422 PWs) bands (ev): -32.4231 -32.4231 -13.6983 -13.6983 -13.3333 -13.3333 -13.3075 -13.3075 -1.3426 -1.3426 -1.1718 -1.1718 1.1056 1.1056 1.1099 1.1099 1.1766 1.1766 1.2907 1.2907 1.3947 1.3947 1.6292 1.6292 1.6426 1.6426 1.6895 1.6895 1.7743 1.7743 1.8710 1.8710 5.6967 5.6967 5.8906 5.8906 7.5342 7.5342 8.4058 8.4058 9.4088 9.4088 9.4932 9.4932 10.2769 10.2769 10.7553 10.7553 11.4669 11.4669 k = 0.5000 0.2744 0.2158 ( 3408 PWs) bands (ev): -32.4232 -32.4232 -13.6979 -13.6979 -13.3332 -13.3332 -13.3067 -13.3067 -1.3549 -1.3549 -1.1991 -1.1991 1.1039 1.1039 1.1044 1.1044 1.1726 1.1726 1.2877 1.2877 1.3907 1.3907 1.6297 1.6297 1.6413 1.6413 1.6910 1.6910 1.7768 1.7768 1.8809 1.8809 5.7929 5.7929 5.9758 5.9758 7.5432 7.5432 8.4749 8.4749 9.3388 9.3388 9.5018 9.5018 10.2016 10.2016 10.6988 10.6988 11.4858 11.4858 k = 0.5000 0.2744 0.1962 ( 3408 PWs) bands (ev): -32.4232 -32.4232 -13.6976 -13.6976 -13.3330 -13.3330 -13.3059 -13.3059 -1.3664 -1.3664 -1.2241 -1.2241 1.0991 1.0991 1.1021 1.1021 1.1692 1.1692 1.2850 1.2850 1.3870 1.3870 1.6300 1.6300 1.6400 1.6400 1.6925 1.6925 1.7791 1.7791 1.8901 1.8901 5.8898 5.8898 6.0605 6.0605 7.5495 7.5495 8.5419 8.5419 9.1885 9.1885 9.5922 9.5922 10.1142 10.1142 10.6347 10.6347 11.5294 11.5294 k = 0.5000 0.2744 0.1766 ( 3406 PWs) bands (ev): -32.4233 -32.4233 -13.6973 -13.6973 -13.3329 -13.3329 -13.3052 -13.3052 -1.3771 -1.3771 -1.2468 -1.2468 1.0942 1.0942 1.1001 1.1001 1.1662 1.1662 1.2826 1.2826 1.3837 1.3837 1.6304 1.6304 1.6389 1.6389 1.6938 1.6938 1.7813 1.7813 1.8986 1.8986 5.9867 5.9867 6.1438 6.1438 7.5535 7.5535 8.6065 8.6065 9.0426 9.0426 9.6797 9.6797 10.0202 10.0202 10.5668 10.5668 11.5924 11.5924 k = 0.5000 0.2744 0.1570 ( 3394 PWs) bands (ev): -32.4233 -32.4233 -13.6970 -13.6970 -13.3328 -13.3328 -13.3046 -13.3046 -1.3868 -1.3868 -1.2672 -1.2672 1.0897 1.0897 1.0982 1.0982 1.1638 1.1638 1.2806 1.2806 1.3808 1.3808 1.6308 1.6308 1.6380 1.6380 1.6951 1.6951 1.7834 1.7834 1.9062 1.9062 6.0828 6.0828 6.2248 6.2248 7.5554 7.5554 8.6686 8.6686 8.9022 8.9022 9.7631 9.7631 9.9243 9.9243 10.4983 10.4983 11.6703 11.6703 k = 0.5000 0.2744 0.1373 ( 3394 PWs) bands (ev): -32.4234 -32.4234 -13.6967 -13.6967 -13.3327 -13.3327 -13.3040 -13.3040 -1.3955 -1.3955 -1.2853 -1.2853 1.0855 1.0855 1.0963 1.0963 1.1617 1.1617 1.2788 1.2788 1.3781 1.3781 1.6312 1.6312 1.6371 1.6371 1.6961 1.6961 1.7852 1.7852 1.9131 1.9131 6.1768 6.1768 6.3024 6.3024 7.5556 7.5556 8.7273 8.7273 8.7687 8.7687 9.8298 9.8298 9.8420 9.8420 10.4314 10.4314 11.7584 11.7584 k = 0.5000 0.2744 0.1177 ( 3386 PWs) bands (ev): -32.4234 -32.4234 -13.6965 -13.6965 -13.3325 -13.3325 -13.3035 -13.3035 -1.4032 -1.4032 -1.3010 -1.3010 1.0819 1.0819 1.0945 1.0945 1.1600 1.1600 1.2772 1.2772 1.3759 1.3759 1.6316 1.6316 1.6364 1.6364 1.6971 1.6971 1.7868 1.7868 1.9190 1.9190 6.2673 6.2673 6.3754 6.3754 7.5545 7.5545 8.6430 8.6430 8.7827 8.7827 9.7418 9.7418 9.9131 9.9131 10.3683 10.3683 11.8524 11.8524 k = 0.5000 0.2744 0.0981 ( 3378 PWs) bands (ev): -32.4235 -32.4235 -13.6962 -13.6962 -13.3324 -13.3324 -13.3030 -13.3030 -1.4098 -1.4098 -1.3143 -1.3143 1.0789 1.0789 1.0930 1.0930 1.1586 1.1586 1.2760 1.2760 1.3741 1.3741 1.6319 1.6319 1.6358 1.6358 1.6979 1.6979 1.7882 1.7882 1.9241 1.9241 6.3519 6.3519 6.4423 6.4423 7.5523 7.5523 8.5280 8.5280 8.8330 8.8330 9.6615 9.6615 9.9764 9.9764 10.3110 10.3110 11.9470 11.9470 k = 0.5000 0.2744 0.0785 ( 3370 PWs) bands (ev): -32.4235 -32.4235 -13.6961 -13.6961 -13.3324 -13.3324 -13.3027 -13.3027 -1.4153 -1.4153 -1.3252 -1.3252 1.0763 1.0763 1.0916 1.0916 1.1576 1.1576 1.2749 1.2749 1.3726 1.3726 1.6322 1.6322 1.6353 1.6353 1.6986 1.6986 1.7894 1.7894 1.9284 1.9284 6.4277 6.4277 6.5018 6.5018 7.5496 7.5496 8.4260 8.4260 8.8774 8.8774 9.5919 9.5919 10.0291 10.0291 10.2623 10.2623 12.0349 12.0349 k = 0.5000 0.2744 0.0589 ( 3372 PWs) bands (ev): -32.4235 -32.4235 -13.6959 -13.6959 -13.3323 -13.3323 -13.3024 -13.3024 -1.4196 -1.4196 -1.3337 -1.3337 1.0742 1.0742 1.0905 1.0905 1.1568 1.1568 1.2741 1.2741 1.3713 1.3713 1.6324 1.6324 1.6350 1.6350 1.6990 1.6990 1.7903 1.7903 1.9316 1.9316 6.4910 6.4910 6.5527 6.5527 7.5468 7.5468 8.3403 8.3403 8.9144 8.9144 9.5352 9.5352 10.0683 10.0683 10.2253 10.2253 12.1065 12.1065 k = 0.5000 0.2744 0.0392 ( 3372 PWs) bands (ev): -32.4235 -32.4235 -13.6959 -13.6959 -13.3323 -13.3323 -13.3022 -13.3022 -1.4227 -1.4227 -1.3398 -1.3398 1.0727 1.0727 1.0897 1.0897 1.1562 1.1562 1.2736 1.2736 1.3705 1.3705 1.6326 1.6326 1.6347 1.6347 1.6994 1.6994 1.7910 1.7910 1.9340 1.9340 6.5380 6.5380 6.5931 6.5931 7.5443 7.5443 8.2748 8.2748 8.9424 8.9424 9.4932 9.4932 10.0905 10.0905 10.2042 10.2042 12.1548 12.1548 k = 0.5000 0.2744 0.0196 ( 3366 PWs) bands (ev): -32.4235 -32.4235 -13.6958 -13.6958 -13.3322 -13.3322 -13.3021 -13.3021 -1.4245 -1.4245 -1.3434 -1.3434 1.0718 1.0718 1.0892 1.0892 1.1559 1.1559 1.2733 1.2733 1.3700 1.3700 1.6327 1.6327 1.6346 1.6346 1.6996 1.6996 1.7914 1.7914 1.9354 1.9354 6.5665 6.5665 6.6198 6.6198 7.5426 7.5426 8.2334 8.2334 8.9599 8.9599 9.4673 9.4673 10.0971 10.0971 10.1978 10.1978 12.1807 12.1807 k = 0.5000 0.2744-0.0000 ( 3358 PWs) bands (ev): -32.4235 -32.4235 -13.6957 -13.6957 -13.3322 -13.3322 -13.3020 -13.3020 -1.4252 -1.4252 -1.3446 -1.3446 1.0714 1.0714 1.0891 1.0891 1.1559 1.1559 1.2732 1.2732 1.3699 1.3699 1.6328 1.6328 1.6346 1.6346 1.6997 1.6997 1.7916 1.7916 1.9358 1.9358 6.5759 6.5759 6.6293 6.6293 7.5420 7.5420 8.2192 8.2192 8.9659 8.9659 9.4586 9.4586 10.0976 10.0976 10.1974 10.1974 12.1885 12.1885 k = 0.0000 0.0000 1.0393 ( 3388 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9987 -0.9987 0.3987 0.3987 1.0897 1.0897 1.0948 1.0948 1.3981 1.3981 1.4877 1.4877 1.5140 1.5140 1.5248 1.5248 1.7256 1.7256 1.7393 1.7393 1.7474 1.7474 2.4189 2.4189 3.8371 3.8371 4.1756 4.1756 5.1803 5.1803 5.7050 5.7050 6.9636 6.9636 9.2505 9.2505 10.5771 10.5771 10.6599 10.6599 12.6562 12.6562 k = 0.0167 0.0091 1.0393 ( 3388 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9987 -0.9987 0.3987 0.3987 1.0897 1.0897 1.0948 1.0948 1.3981 1.3981 1.4878 1.4878 1.5140 1.5140 1.5248 1.5248 1.7257 1.7257 1.7393 1.7393 1.7474 1.7474 2.4184 2.4184 3.8377 3.8377 4.1742 4.1742 5.1816 5.1816 5.7083 5.7083 6.9593 6.9593 9.2395 9.2395 10.5835 10.5835 10.6761 10.6761 12.6512 12.6512 k = 0.0333 0.0183 1.0393 ( 3394 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9987 -0.9987 0.3987 0.3987 1.0896 1.0896 1.0948 1.0948 1.3979 1.3979 1.4883 1.4883 1.5140 1.5140 1.5248 1.5248 1.7257 1.7257 1.7393 1.7393 1.7473 1.7473 2.4169 2.4169 3.8397 3.8397 4.1700 4.1700 5.1854 5.1854 5.7182 5.7182 6.9465 6.9465 9.2080 9.2080 10.6025 10.6025 10.7232 10.7232 12.6361 12.6361 k = 0.0500 0.0274 1.0393 ( 3396 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9986 -0.9986 0.3987 0.3987 1.0896 1.0896 1.0948 1.0948 1.3979 1.3979 1.4889 1.4889 1.5139 1.5139 1.5249 1.5249 1.7259 1.7259 1.7395 1.7395 1.7474 1.7474 2.4145 2.4145 3.8429 3.8429 4.1632 4.1632 5.1916 5.1916 5.7344 5.7344 6.9256 6.9256 9.1603 9.1603 10.6339 10.6339 10.7969 10.7969 12.6111 12.6111 k = 0.0667 0.0366 1.0393 ( 3404 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9986 -0.9986 0.3987 0.3987 1.0896 1.0896 1.0947 1.0947 1.3977 1.3977 1.4898 1.4898 1.5138 1.5138 1.5249 1.5249 1.7261 1.7261 1.7396 1.7396 1.7474 1.7474 2.4113 2.4113 3.8475 3.8475 4.1539 4.1539 5.1999 5.1999 5.7568 5.7568 6.8971 6.8971 9.1014 9.1014 10.6770 10.6770 10.8921 10.8921 12.5762 12.5762 k = 0.0833 0.0457 1.0393 ( 3402 PWs) bands (ev): -32.4197 -32.4197 -13.7144 -13.7144 -13.3408 -13.3408 -13.3374 -13.3374 -0.9986 -0.9986 0.3987 0.3987 1.0895 1.0895 1.0947 1.0947 1.3976 1.3976 1.4909 1.4909 1.5138 1.5138 1.5250 1.5250 1.7265 1.7265 1.7398 1.7398 1.7475 1.7475 2.4074 2.4074 3.8533 3.8533 4.1424 4.1424 5.2100 5.2100 5.7850 5.7850 6.8615 6.8615 9.0362 9.0362 10.7311 10.7311 11.0041 11.0041 12.5314 12.5314 k = 0.1000 0.0549 1.0393 ( 3404 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9986 -0.9986 0.3987 0.3987 1.0895 1.0895 1.0947 1.0947 1.3974 1.3974 1.4922 1.4922 1.5137 1.5137 1.5251 1.5251 1.7268 1.7268 1.7400 1.7400 1.7476 1.7476 2.4029 2.4029 3.8604 3.8604 4.1291 4.1291 5.2216 5.2216 5.8187 5.8187 6.8197 6.8197 8.9686 8.9686 10.7954 10.7954 11.1288 11.1288 12.4770 12.4770 k = 0.1167 0.0640 1.0393 ( 3404 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9985 -0.9985 0.3987 0.3987 1.0895 1.0895 1.0948 1.0948 1.3972 1.3972 1.4935 1.4935 1.5136 1.5136 1.5252 1.5252 1.7271 1.7271 1.7402 1.7402 1.7477 1.7477 2.3982 2.3982 3.8687 3.8687 4.1142 4.1142 5.2340 5.2340 5.8573 5.8573 6.7725 6.7725 8.9018 8.9018 10.8688 10.8688 11.2628 11.2628 12.4133 12.4133 k = 0.1333 0.0732 1.0393 ( 3408 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9985 -0.9985 0.3987 0.3987 1.0894 1.0894 1.0948 1.0948 1.3971 1.3971 1.4948 1.4948 1.5135 1.5135 1.5254 1.5254 1.7275 1.7275 1.7403 1.7403 1.7479 1.7479 2.3933 2.3933 3.8783 3.8783 4.0981 4.0981 5.2469 5.2469 5.9005 5.9005 6.7206 6.7206 8.8381 8.8381 10.9504 10.9504 11.4034 11.4034 12.3409 12.3409 k = 0.1500 0.0823 1.0393 ( 3420 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9985 -0.9985 0.3986 0.3986 1.0894 1.0894 1.0948 1.0948 1.3969 1.3969 1.4960 1.4960 1.5134 1.5134 1.5254 1.5254 1.7278 1.7278 1.7404 1.7404 1.7481 1.7481 2.3885 2.3885 3.8890 3.8890 4.0811 4.0811 5.2596 5.2596 5.9479 5.9479 6.6650 6.6650 8.7796 8.7796 11.0390 11.0390 11.5477 11.5477 12.2602 12.2602 k = 0.1667 0.0915 1.0393 ( 3416 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9985 -0.9985 0.3986 0.3986 1.0893 1.0893 1.0949 1.0949 1.3968 1.3968 1.4972 1.4972 1.5134 1.5134 1.5255 1.5255 1.7281 1.7281 1.7405 1.7405 1.7484 1.7484 2.3841 2.3841 3.9008 3.9008 4.0635 4.0635 5.2715 5.2715 5.9988 5.9988 6.6064 6.6064 8.7276 8.7276 11.1338 11.1338 11.6930 11.6930 12.1725 12.1725 k = 0.1833 0.1006 1.0393 ( 3424 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3986 0.3986 1.0893 1.0893 1.0948 1.0948 1.3966 1.3966 1.4983 1.4983 1.5134 1.5134 1.5256 1.5256 1.7284 1.7284 1.7406 1.7406 1.7486 1.7486 2.3801 2.3801 3.9137 3.9137 4.0455 4.0455 5.2823 5.2823 6.0530 6.0530 6.5456 6.5456 8.6836 8.6836 11.2335 11.2335 11.8349 11.8349 12.0789 12.0789 k = 0.2000 0.1097 1.0393 ( 3422 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3986 0.3986 1.0892 1.0892 1.0949 1.0949 1.3965 1.3965 1.4991 1.4991 1.5134 1.5134 1.5257 1.5257 1.7286 1.7286 1.7406 1.7406 1.7489 1.7489 2.3769 2.3769 3.9276 3.9276 4.0275 4.0275 5.2912 5.2912 6.1100 6.1100 6.4833 6.4833 8.6483 8.6483 11.3370 11.3370 11.9561 11.9561 11.9924 11.9924 k = 0.2167 0.1189 1.0393 ( 3410 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3987 0.3987 1.0893 1.0893 1.0949 1.0949 1.3965 1.3965 1.4998 1.4998 1.5134 1.5134 1.5257 1.5257 1.7288 1.7288 1.7407 1.7407 1.7491 1.7491 2.3745 2.3745 3.9425 3.9425 4.0097 4.0097 5.2979 5.2979 6.1692 6.1692 6.4200 6.4200 8.6225 8.6225 11.4434 11.4434 11.8732 11.8732 12.0882 12.0882 k = 0.2333 0.1280 1.0393 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3987 0.3987 1.0892 1.0892 1.0950 1.0950 1.3964 1.3964 1.5002 1.5002 1.5134 1.5134 1.5257 1.5257 1.7289 1.7289 1.7407 1.7407 1.7492 1.7492 2.3730 2.3730 3.9580 3.9580 3.9922 3.9922 5.3021 5.3021 6.2303 6.2303 6.3565 6.3565 8.6069 8.6069 11.5515 11.5515 11.7675 11.7675 12.1711 12.1711 k = 0.2500 0.1372 1.0393 ( 3412 PWs) bands (ev): -32.4197 -32.4197 -13.7145 -13.7145 -13.3409 -13.3409 -13.3374 -13.3374 -0.9984 -0.9984 0.3987 0.3987 1.0892 1.0892 1.0950 1.0950 1.3964 1.3964 1.5003 1.5003 1.5134 1.5134 1.5258 1.5258 1.7289 1.7289 1.7407 1.7407 1.7493 1.7493 2.3725 2.3725 3.9714 3.9714 3.9783 3.9783 5.3035 5.3035 6.2920 6.2920 6.2939 6.2939 8.6016 8.6016 11.6556 11.6556 11.6641 11.6641 12.2022 12.2022 Writing output data file CaxZnGex2.save init_run : 0.32s CPU 0.45s WALL ( 1 calls) electrons : 230.68s CPU 234.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 230.68s CPU 234.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 339 calls) cegterg : 212.70s CPU 214.94s WALL ( 601 calls) Called by sum_band: Called by *egterg: h_psi : 145.26s CPU 147.01s WALL ( 10279 calls) s_psi : 4.92s CPU 5.01s WALL ( 10279 calls) g_psi : 0.23s CPU 0.22s WALL ( 9339 calls) cdiaghg : 62.17s CPU 62.86s WALL ( 9678 calls) cegterg:over : 5.62s CPU 5.63s WALL ( 9339 calls) cegterg:upda : 4.59s CPU 4.78s WALL ( 9339 calls) cegterg:last : 2.77s CPU 2.73s WALL ( 1554 calls) cdiaghg:chol : 3.47s CPU 3.47s WALL ( 9678 calls) cdiaghg:inve : 2.35s CPU 2.29s WALL ( 9678 calls) cdiaghg:para : 3.80s CPU 3.76s WALL ( 19356 calls) Called by h_psi: h_psi:vloc : 134.05s CPU 135.54s WALL ( 10279 calls) h_psi:vnl : 11.03s CPU 11.27s WALL ( 10279 calls) add_vuspsi : 5.60s CPU 5.80s WALL ( 10279 calls) General routines calbec : 5.40s CPU 5.45s WALL ( 10279 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 126.30s CPU 127.70s WALL ( 909704 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 678 calls) Parallel routines fft_scatter : 36.59s CPU 36.77s WALL ( 909727 calls) PWSCF : 4m 5.53s CPU 4m27.24s WALL This run was terminated on: 16:47: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=