Program PWSCF v.5.1.1 starts on 18Oct2015 at 4:15:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ReNCl4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 30 8 1885 1033 157 Max 45 31 9 1891 1056 162 Sum 2159 1451 415 90689 50133 7673 bravais-lattice index = 14 lattice parameter (alat) = 11.6910 a.u. unit-cell volume = 934.1672 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.691021 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.107191 celldm(5)= -0.107191 celldm(6)= -0.785619 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.785619 0.618711 0.000000 ) a(3) = ( -0.107191 -0.309356 0.944886 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.269766 0.529164 ) b(2) = ( 0.000000 1.616263 0.529164 ) b(3) = ( 0.000000 0.000000 1.058329 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Re read from file: /home/autes/Pseudo/Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 151eeb7d95de718c8ba0a4937714e2a1 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Re 15.00 186.20700 Re( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0000000 0.0195987), wk = 0.0034364 k( 3) = ( 0.0000000 0.0000000 0.0391974), wk = 0.0034364 k( 4) = ( 0.0000000 0.0000000 0.0587961), wk = 0.0034364 k( 5) = ( 0.0000000 0.0000000 0.0783947), wk = 0.0034364 k( 6) = ( 0.0000000 0.0000000 0.0979934), wk = 0.0034364 k( 7) = ( 0.0000000 0.0000000 0.1175921), wk = 0.0034364 k( 8) = ( 0.0000000 0.0000000 0.1371908), wk = 0.0034364 k( 9) = ( 0.0000000 0.0000000 0.1567895), wk = 0.0034364 k( 10) = ( 0.0000000 0.0000000 0.1763882), wk = 0.0034364 k( 11) = ( 0.0000000 0.0000000 0.1959868), wk = 0.0034364 k( 12) = ( 0.0000000 0.0000000 0.2155855), wk = 0.0034364 k( 13) = ( 0.0000000 0.0000000 0.2351842), wk = 0.0034364 k( 14) = ( 0.0000000 0.0000000 0.2547829), wk = 0.0034364 k( 15) = ( 0.0000000 0.0000000 0.2743816), wk = 0.0034364 k( 16) = ( 0.0000000 0.0000000 0.2939803), wk = 0.0034364 k( 17) = ( 0.0000000 0.0000000 0.3135789), wk = 0.0034364 k( 18) = ( 0.0000000 0.0000000 0.3331776), wk = 0.0034364 k( 19) = ( 0.0000000 0.0000000 0.3527763), wk = 0.0034364 k( 20) = ( 0.0000000 0.0000000 0.3723750), wk = 0.0034364 k( 21) = ( 0.0000000 0.0000000 0.3919737), wk = 0.0034364 k( 22) = ( 0.0000000 0.0000000 0.4115724), wk = 0.0034364 k( 23) = ( 0.0000000 0.0000000 0.4311710), wk = 0.0034364 k( 24) = ( 0.0000000 0.0000000 0.4507697), wk = 0.0034364 k( 25) = ( 0.0000000 0.0000000 0.4703684), wk = 0.0034364 k( 26) = ( 0.0000000 0.0000000 0.4899671), wk = 0.0034364 k( 27) = ( 0.0000000 0.0000000 0.5095658), wk = 0.0034364 k( 28) = ( 0.0000000 0.0000000 0.5291645), wk = 0.0034364 k( 29) = ( 0.0000000 0.0000000 0.5291645), wk = 0.0034364 k( 30) = ( -0.0185185 0.0064166 0.5291645), wk = 0.0034364 k( 31) = ( -0.0370370 0.0128332 0.5291645), wk = 0.0034364 k( 32) = ( -0.0555556 0.0192498 0.5291645), wk = 0.0034364 k( 33) = ( -0.0740741 0.0256664 0.5291645), wk = 0.0034364 k( 34) = ( -0.0925926 0.0320830 0.5291645), wk = 0.0034364 k( 35) = ( -0.1111111 0.0384997 0.5291645), wk = 0.0034364 k( 36) = ( -0.1296296 0.0449163 0.5291645), wk = 0.0034364 k( 37) = ( -0.1481482 0.0513329 0.5291645), wk = 0.0034364 k( 38) = ( -0.1666667 0.0577495 0.5291645), wk = 0.0034364 k( 39) = ( -0.1851852 0.0641661 0.5291645), wk = 0.0034364 k( 40) = ( -0.2037037 0.0705827 0.5291645), wk = 0.0034364 k( 41) = ( -0.2222222 0.0769993 0.5291645), wk = 0.0034364 k( 42) = ( -0.2407407 0.0834159 0.5291645), wk = 0.0034364 k( 43) = ( -0.2592593 0.0898325 0.5291645), wk = 0.0034364 k( 44) = ( -0.2777778 0.0962491 0.5291645), wk = 0.0034364 k( 45) = ( -0.2962963 0.1026657 0.5291645), wk = 0.0034364 k( 46) = ( -0.3148148 0.1090823 0.5291645), wk = 0.0034364 k( 47) = ( -0.3333333 0.1154990 0.5291645), wk = 0.0034364 k( 48) = ( -0.3518519 0.1219156 0.5291645), wk = 0.0034364 k( 49) = ( -0.3703704 0.1283322 0.5291645), wk = 0.0034364 k( 50) = ( -0.3888889 0.1347488 0.5291645), wk = 0.0034364 k( 51) = ( -0.4074074 0.1411654 0.5291645), wk = 0.0034364 k( 52) = ( -0.4259259 0.1475820 0.5291645), wk = 0.0034364 k( 53) = ( -0.4444444 0.1539986 0.5291645), wk = 0.0034364 k( 54) = ( -0.4629630 0.1604152 0.5291645), wk = 0.0034364 k( 55) = ( -0.4814815 0.1668318 0.5291645), wk = 0.0034364 k( 56) = ( -0.5000000 0.1732484 0.5291645), wk = 0.0034364 k( 57) = ( -0.5000000 0.1732484 0.5291645), wk = 0.0034364 k( 58) = ( -0.4871795 0.1688062 0.5155961), wk = 0.0034364 k( 59) = ( -0.4743590 0.1643639 0.5020278), wk = 0.0034364 k( 60) = ( -0.4615385 0.1599216 0.4884595), wk = 0.0034364 k( 61) = ( -0.4487179 0.1554794 0.4748912), wk = 0.0034364 k( 62) = ( -0.4358974 0.1510371 0.4613229), wk = 0.0034364 k( 63) = ( -0.4230769 0.1465948 0.4477545), wk = 0.0034364 k( 64) = ( -0.4102564 0.1421526 0.4341862), wk = 0.0034364 k( 65) = ( -0.3974359 0.1377103 0.4206179), wk = 0.0034364 k( 66) = ( -0.3846154 0.1332680 0.4070496), wk = 0.0034364 k( 67) = ( -0.3717949 0.1288258 0.3934813), wk = 0.0034364 k( 68) = ( -0.3589744 0.1243835 0.3799129), wk = 0.0034364 k( 69) = ( -0.3461538 0.1199412 0.3663446), wk = 0.0034364 k( 70) = ( -0.3333333 0.1154990 0.3527763), wk = 0.0034364 k( 71) = ( -0.3205128 0.1110567 0.3392080), wk = 0.0034364 k( 72) = ( -0.3076923 0.1066144 0.3256397), wk = 0.0034364 k( 73) = ( -0.2948718 0.1021722 0.3120713), wk = 0.0034364 k( 74) = ( -0.2820513 0.0977299 0.2985030), wk = 0.0034364 k( 75) = ( -0.2692308 0.0932876 0.2849347), wk = 0.0034364 k( 76) = ( -0.2564103 0.0888454 0.2713664), wk = 0.0034364 k( 77) = ( -0.2435897 0.0844031 0.2577981), wk = 0.0034364 k( 78) = ( -0.2307692 0.0799608 0.2442297), wk = 0.0034364 k( 79) = ( -0.2179487 0.0755185 0.2306614), wk = 0.0034364 k( 80) = ( -0.2051282 0.0710763 0.2170931), wk = 0.0034364 k( 81) = ( -0.1923077 0.0666340 0.2035248), wk = 0.0034364 k( 82) = ( -0.1794872 0.0621917 0.1899565), wk = 0.0034364 k( 83) = ( -0.1666667 0.0577495 0.1763882), wk = 0.0034364 k( 84) = ( -0.1538461 0.0533072 0.1628198), wk = 0.0034364 k( 85) = ( -0.1410256 0.0488649 0.1492515), wk = 0.0034364 k( 86) = ( -0.1282051 0.0444227 0.1356832), wk = 0.0034364 k( 87) = ( -0.1153846 0.0399804 0.1221149), wk = 0.0034364 k( 88) = ( -0.1025641 0.0355381 0.1085466), wk = 0.0034364 k( 89) = ( -0.0897436 0.0310959 0.0949782), wk = 0.0034364 k( 90) = ( -0.0769231 0.0266536 0.0814099), wk = 0.0034364 k( 91) = ( -0.0641026 0.0222113 0.0678416), wk = 0.0034364 k( 92) = ( -0.0512821 0.0177691 0.0542733), wk = 0.0034364 k( 93) = ( -0.0384615 0.0133268 0.0407050), wk = 0.0034364 k( 94) = ( -0.0256410 0.0088845 0.0271366), wk = 0.0034364 k( 95) = ( -0.0128205 0.0044423 0.0135683), wk = 0.0034364 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 98) = ( 0.0063271 0.0182603 0.0000000), wk = 0.0034364 k( 99) = ( 0.0126543 0.0365206 0.0000000), wk = 0.0034364 k( 100) = ( 0.0189814 0.0547810 0.0000000), wk = 0.0034364 k( 101) = ( 0.0253086 0.0730413 0.0000000), wk = 0.0034364 k( 102) = ( 0.0316357 0.0913016 0.0000000), wk = 0.0034364 k( 103) = ( 0.0379629 0.1095619 0.0000000), wk = 0.0034364 k( 104) = ( 0.0442900 0.1278223 0.0000000), wk = 0.0034364 k( 105) = ( 0.0506171 0.1460826 0.0000000), wk = 0.0034364 k( 106) = ( 0.0569443 0.1643429 0.0000000), wk = 0.0034364 k( 107) = ( 0.0632714 0.1826032 0.0000000), wk = 0.0034364 k( 108) = ( 0.0695986 0.2008635 0.0000000), wk = 0.0034364 k( 109) = ( 0.0759257 0.2191238 0.0000000), wk = 0.0034364 k( 110) = ( 0.0822529 0.2373842 0.0000000), wk = 0.0034364 k( 111) = ( 0.0885800 0.2556445 0.0000000), wk = 0.0034364 k( 112) = ( 0.0949071 0.2739048 0.0000000), wk = 0.0034364 k( 113) = ( 0.1012343 0.2921651 0.0000000), wk = 0.0034364 k( 114) = ( 0.1075614 0.3104254 0.0000000), wk = 0.0034364 k( 115) = ( 0.1138886 0.3286858 0.0000000), wk = 0.0034364 k( 116) = ( 0.1202157 0.3469461 0.0000000), wk = 0.0034364 k( 117) = ( 0.1265429 0.3652064 0.0000000), wk = 0.0034364 k( 118) = ( 0.1328700 0.3834667 0.0000000), wk = 0.0034364 k( 119) = ( 0.1391972 0.4017270 0.0000000), wk = 0.0034364 k( 120) = ( 0.1455243 0.4199874 0.0000000), wk = 0.0034364 k( 121) = ( 0.1518514 0.4382477 0.0000000), wk = 0.0034364 k( 122) = ( 0.1581786 0.4565080 0.0000000), wk = 0.0034364 k( 123) = ( 0.1645057 0.4747683 0.0000000), wk = 0.0034364 k( 124) = ( 0.1708329 0.4930286 0.0000000), wk = 0.0034364 k( 125) = ( 0.1771600 0.5112890 0.0000000), wk = 0.0034364 k( 126) = ( 0.1834872 0.5295493 0.0000000), wk = 0.0034364 k( 127) = ( 0.1898143 0.5478096 0.0000000), wk = 0.0034364 k( 128) = ( 0.1961414 0.5660699 0.0000000), wk = 0.0034364 k( 129) = ( 0.2024686 0.5843303 0.0000000), wk = 0.0034364 k( 130) = ( 0.2087957 0.6025906 0.0000000), wk = 0.0034364 k( 131) = ( 0.2151229 0.6208509 0.0000000), wk = 0.0034364 k( 132) = ( 0.2214500 0.6391112 0.0000000), wk = 0.0034364 k( 133) = ( 0.2277772 0.6573715 0.0000000), wk = 0.0034364 k( 134) = ( 0.2341043 0.6756318 0.0000000), wk = 0.0034364 k( 135) = ( 0.2404315 0.6938922 0.0000000), wk = 0.0034364 k( 136) = ( 0.2467586 0.7121525 0.0000000), wk = 0.0034364 k( 137) = ( 0.2530857 0.7304128 0.0000000), wk = 0.0034364 k( 138) = ( 0.2594129 0.7486731 0.0000000), wk = 0.0034364 k( 139) = ( 0.2657400 0.7669334 0.0000000), wk = 0.0034364 k( 140) = ( 0.2720672 0.7851938 0.0000000), wk = 0.0034364 k( 141) = ( 0.2783943 0.8034541 0.0000000), wk = 0.0034364 k( 142) = ( 0.2847215 0.8217144 0.0000000), wk = 0.0034364 k( 143) = ( 0.2910486 0.8399747 0.0000000), wk = 0.0034364 k( 144) = ( 0.2973757 0.8582350 0.0000000), wk = 0.0034364 k( 145) = ( 0.3037029 0.8764954 0.0000000), wk = 0.0034364 k( 146) = ( 0.3100300 0.8947557 0.0000000), wk = 0.0034364 k( 147) = ( 0.3100300 0.8947557 0.0000000), wk = 0.0034364 k( 148) = ( 0.3079600 0.8887816 0.0182471), wk = 0.0034364 k( 149) = ( 0.3058900 0.8828075 0.0364941), wk = 0.0034364 k( 150) = ( 0.3038200 0.8768334 0.0547411), wk = 0.0034364 k( 151) = ( 0.3017500 0.8708593 0.0729882), wk = 0.0034364 k( 152) = ( 0.2996800 0.8648853 0.0912352), wk = 0.0034364 k( 153) = ( 0.2976100 0.8589112 0.1094823), wk = 0.0034364 k( 154) = ( 0.2955400 0.8529371 0.1277294), wk = 0.0034364 k( 155) = ( 0.2934700 0.8469630 0.1459764), wk = 0.0034364 k( 156) = ( 0.2914000 0.8409889 0.1642235), wk = 0.0034364 k( 157) = ( 0.2893300 0.8350149 0.1824705), wk = 0.0034364 k( 158) = ( 0.2872600 0.8290408 0.2007175), wk = 0.0034364 k( 159) = ( 0.2851900 0.8230667 0.2189646), wk = 0.0034364 k( 160) = ( 0.2831200 0.8170926 0.2372117), wk = 0.0034364 k( 161) = ( 0.2810500 0.8111185 0.2554587), wk = 0.0034364 k( 162) = ( 0.2789800 0.8051444 0.2737058), wk = 0.0034364 k( 163) = ( 0.2769100 0.7991704 0.2919528), wk = 0.0034364 k( 164) = ( 0.2748400 0.7931963 0.3101999), wk = 0.0034364 k( 165) = ( 0.2727700 0.7872222 0.3284469), wk = 0.0034364 k( 166) = ( 0.2707000 0.7812481 0.3466939), wk = 0.0034364 k( 167) = ( 0.2686300 0.7752740 0.3649410), wk = 0.0034364 k( 168) = ( 0.2665600 0.7692999 0.3831880), wk = 0.0034364 k( 169) = ( 0.2644900 0.7633258 0.4014351), wk = 0.0034364 k( 170) = ( 0.2624200 0.7573518 0.4196822), wk = 0.0034364 k( 171) = ( 0.2603500 0.7513777 0.4379292), wk = 0.0034364 k( 172) = ( 0.2582800 0.7454036 0.4561763), wk = 0.0034364 k( 173) = ( 0.2562100 0.7394295 0.4744233), wk = 0.0034364 k( 174) = ( 0.2541400 0.7334554 0.4926704), wk = 0.0034364 k( 175) = ( 0.2520700 0.7274813 0.5109174), wk = 0.0034364 k( 176) = ( 0.2500000 0.7215073 0.5291645), wk = 0.0034364 k( 177) = ( 0.2500000 0.7215073 0.5291645), wk = 0.0034364 k( 178) = ( 0.2375000 0.7258385 0.5159353), wk = 0.0034364 k( 179) = ( 0.2250000 0.7301697 0.5027062), wk = 0.0034364 k( 180) = ( 0.2125000 0.7345009 0.4894771), wk = 0.0034364 k( 181) = ( 0.2000000 0.7388321 0.4762480), wk = 0.0034364 k( 182) = ( 0.1875000 0.7431633 0.4630189), wk = 0.0034364 k( 183) = ( 0.1750000 0.7474945 0.4497898), wk = 0.0034364 k( 184) = ( 0.1625000 0.7518257 0.4365607), wk = 0.0034364 k( 185) = ( 0.1500000 0.7561569 0.4233316), wk = 0.0034364 k( 186) = ( 0.1375000 0.7604881 0.4101025), wk = 0.0034364 k( 187) = ( 0.1250000 0.7648194 0.3968733), wk = 0.0034364 k( 188) = ( 0.1125000 0.7691506 0.3836442), wk = 0.0034364 k( 189) = ( 0.1000000 0.7734818 0.3704151), wk = 0.0034364 k( 190) = ( 0.0875000 0.7778130 0.3571860), wk = 0.0034364 k( 191) = ( 0.0750000 0.7821442 0.3439569), wk = 0.0034364 k( 192) = ( 0.0625000 0.7864754 0.3307278), wk = 0.0034364 k( 193) = ( 0.0500000 0.7908066 0.3174987), wk = 0.0034364 k( 194) = ( 0.0375000 0.7951378 0.3042696), wk = 0.0034364 k( 195) = ( 0.0250000 0.7994690 0.2910404), wk = 0.0034364 k( 196) = ( 0.0125000 0.8038003 0.2778113), wk = 0.0034364 k( 197) = ( 0.0000000 0.8081315 0.2645822), wk = 0.0034364 k( 198) = ( 0.0000000 0.8081315 0.2645822), wk = 0.0034364 k( 199) = ( -0.0140923 0.8041940 0.2766087), wk = 0.0034364 k( 200) = ( -0.0281845 0.8002565 0.2886352), wk = 0.0034364 k( 201) = ( -0.0422768 0.7963191 0.3006616), wk = 0.0034364 k( 202) = ( -0.0563691 0.7923816 0.3126881), wk = 0.0034364 k( 203) = ( -0.0704614 0.7884441 0.3247145), wk = 0.0034364 k( 204) = ( -0.0845536 0.7845067 0.3367410), wk = 0.0034364 k( 205) = ( -0.0986459 0.7805692 0.3487675), wk = 0.0034364 k( 206) = ( -0.1127382 0.7766318 0.3607940), wk = 0.0034364 k( 207) = ( -0.1268305 0.7726943 0.3728204), wk = 0.0034364 k( 208) = ( -0.1409227 0.7687568 0.3848469), wk = 0.0034364 k( 209) = ( -0.1550150 0.7648194 0.3968733), wk = 0.0034364 k( 210) = ( -0.1691073 0.7608819 0.4088998), wk = 0.0034364 k( 211) = ( -0.1831996 0.7569444 0.4209263), wk = 0.0034364 k( 212) = ( -0.1972918 0.7530070 0.4329527), wk = 0.0034364 k( 213) = ( -0.2113841 0.7490695 0.4449792), wk = 0.0034364 k( 214) = ( -0.2254764 0.7451320 0.4570057), wk = 0.0034364 k( 215) = ( -0.2395687 0.7411946 0.4690321), wk = 0.0034364 k( 216) = ( -0.2536609 0.7372571 0.4810586), wk = 0.0034364 k( 217) = ( -0.2677532 0.7333197 0.4930851), wk = 0.0034364 k( 218) = ( -0.2818455 0.7293822 0.5051115), wk = 0.0034364 k( 219) = ( -0.2959378 0.7254447 0.5171380), wk = 0.0034364 k( 220) = ( -0.3100300 0.7215072 0.5291645), wk = 0.0034364 k( 221) = ( -0.3100300 0.7215072 0.5291645), wk = 0.0034364 k( 222) = ( -0.3163624 0.7032320 0.5291645), wk = 0.0034364 k( 223) = ( -0.3226947 0.6849567 0.5291645), wk = 0.0034364 k( 224) = ( -0.3290270 0.6666814 0.5291645), wk = 0.0034364 k( 225) = ( -0.3353594 0.6484061 0.5291645), wk = 0.0034364 k( 226) = ( -0.3416917 0.6301308 0.5291645), wk = 0.0034364 k( 227) = ( -0.3480240 0.6118555 0.5291645), wk = 0.0034364 k( 228) = ( -0.3543564 0.5935802 0.5291645), wk = 0.0034364 k( 229) = ( -0.3606887 0.5753049 0.5291645), wk = 0.0034364 k( 230) = ( -0.3670210 0.5570296 0.5291645), wk = 0.0034364 k( 231) = ( -0.3733534 0.5387543 0.5291645), wk = 0.0034364 k( 232) = ( -0.3796857 0.5204790 0.5291645), wk = 0.0034364 k( 233) = ( -0.3860180 0.5022037 0.5291645), wk = 0.0034364 k( 234) = ( -0.3923504 0.4839284 0.5291645), wk = 0.0034364 k( 235) = ( -0.3986827 0.4656531 0.5291645), wk = 0.0034364 k( 236) = ( -0.4050150 0.4473778 0.5291645), wk = 0.0034364 k( 237) = ( -0.4113474 0.4291026 0.5291645), wk = 0.0034364 k( 238) = ( -0.4176797 0.4108273 0.5291645), wk = 0.0034364 k( 239) = ( -0.4240120 0.3925519 0.5291645), wk = 0.0034364 k( 240) = ( -0.4303443 0.3742767 0.5291645), wk = 0.0034364 k( 241) = ( -0.4366767 0.3560014 0.5291645), wk = 0.0034364 k( 242) = ( -0.4430090 0.3377261 0.5291645), wk = 0.0034364 k( 243) = ( -0.4493413 0.3194508 0.5291645), wk = 0.0034364 k( 244) = ( -0.4556737 0.3011755 0.5291645), wk = 0.0034364 k( 245) = ( -0.4620060 0.2829002 0.5291645), wk = 0.0034364 k( 246) = ( -0.4683383 0.2646249 0.5291645), wk = 0.0034364 k( 247) = ( -0.4746707 0.2463496 0.5291645), wk = 0.0034364 k( 248) = ( -0.4810030 0.2280743 0.5291645), wk = 0.0034364 k( 249) = ( -0.4873353 0.2097990 0.5291645), wk = 0.0034364 k( 250) = ( -0.4936677 0.1915237 0.5291645), wk = 0.0034364 k( 251) = ( -0.5000000 0.1732484 0.5291645), wk = 0.0034364 k( 252) = ( 0.0000000 0.0000000 0.5291645), wk = 0.0034364 k( 253) = ( 0.0064103 0.0185002 0.5291645), wk = 0.0034364 k( 254) = ( 0.0128205 0.0370004 0.5291645), wk = 0.0034364 k( 255) = ( 0.0192308 0.0555006 0.5291645), wk = 0.0034364 k( 256) = ( 0.0256410 0.0740008 0.5291645), wk = 0.0034364 k( 257) = ( 0.0320513 0.0925009 0.5291645), wk = 0.0034364 k( 258) = ( 0.0384615 0.1110011 0.5291645), wk = 0.0034364 k( 259) = ( 0.0448718 0.1295013 0.5291645), wk = 0.0034364 k( 260) = ( 0.0512821 0.1480015 0.5291645), wk = 0.0034364 k( 261) = ( 0.0576923 0.1665017 0.5291645), wk = 0.0034364 k( 262) = ( 0.0641026 0.1850018 0.5291645), wk = 0.0034364 k( 263) = ( 0.0705128 0.2035020 0.5291645), wk = 0.0034364 k( 264) = ( 0.0769231 0.2220022 0.5291645), wk = 0.0034364 k( 265) = ( 0.0833333 0.2405024 0.5291645), wk = 0.0034364 k( 266) = ( 0.0897436 0.2590026 0.5291645), wk = 0.0034364 k( 267) = ( 0.0961538 0.2775028 0.5291645), wk = 0.0034364 k( 268) = ( 0.1025641 0.2960030 0.5291645), wk = 0.0034364 k( 269) = ( 0.1089744 0.3145032 0.5291645), wk = 0.0034364 k( 270) = ( 0.1153846 0.3330034 0.5291645), wk = 0.0034364 k( 271) = ( 0.1217949 0.3515035 0.5291645), wk = 0.0034364 k( 272) = ( 0.1282051 0.3700037 0.5291645), wk = 0.0034364 k( 273) = ( 0.1346154 0.3885039 0.5291645), wk = 0.0034364 k( 274) = ( 0.1410256 0.4070041 0.5291645), wk = 0.0034364 k( 275) = ( 0.1474359 0.4255043 0.5291645), wk = 0.0034364 k( 276) = ( 0.1538461 0.4440045 0.5291645), wk = 0.0034364 k( 277) = ( 0.1602564 0.4625046 0.5291645), wk = 0.0034364 k( 278) = ( 0.1666667 0.4810048 0.5291645), wk = 0.0034364 k( 279) = ( 0.1730769 0.4995050 0.5291645), wk = 0.0034364 k( 280) = ( 0.1794872 0.5180052 0.5291645), wk = 0.0034364 k( 281) = ( 0.1858974 0.5365054 0.5291645), wk = 0.0034364 k( 282) = ( 0.1923077 0.5550056 0.5291645), wk = 0.0034364 k( 283) = ( 0.1987180 0.5735058 0.5291645), wk = 0.0034364 k( 284) = ( 0.2051282 0.5920060 0.5291645), wk = 0.0034364 k( 285) = ( 0.2115385 0.6105061 0.5291645), wk = 0.0034364 k( 286) = ( 0.2179487 0.6290063 0.5291645), wk = 0.0034364 k( 287) = ( 0.2243590 0.6475065 0.5291645), wk = 0.0034364 k( 288) = ( 0.2307692 0.6660067 0.5291645), wk = 0.0034364 k( 289) = ( 0.2371795 0.6845069 0.5291645), wk = 0.0034364 k( 290) = ( 0.2435897 0.7030071 0.5291645), wk = 0.0034364 k( 291) = ( 0.2500000 0.7215073 0.5291645), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0034364 k( 3) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0034364 k( 4) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034364 k( 5) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0034364 k( 6) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0034364 k( 7) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034364 k( 8) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0034364 k( 9) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0034364 k( 10) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034364 k( 11) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0034364 k( 12) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0034364 k( 13) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034364 k( 14) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0034364 k( 15) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0034364 k( 16) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034364 k( 17) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0034364 k( 18) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0034364 k( 19) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034364 k( 20) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0034364 k( 21) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0034364 k( 22) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034364 k( 23) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0034364 k( 24) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0034364 k( 25) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034364 k( 26) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0034364 k( 27) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0034364 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 30) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0034364 k( 31) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0034364 k( 32) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0034364 k( 33) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0034364 k( 34) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0034364 k( 35) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0034364 k( 36) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0034364 k( 37) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0034364 k( 38) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0034364 k( 39) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0034364 k( 40) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0034364 k( 41) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0034364 k( 42) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0034364 k( 43) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0034364 k( 44) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0034364 k( 45) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0034364 k( 46) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0034364 k( 47) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0034364 k( 48) = ( -0.3518519 0.3518518 0.5000000), wk = 0.0034364 k( 49) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0034364 k( 50) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0034364 k( 51) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0034364 k( 52) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0034364 k( 53) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0034364 k( 54) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0034364 k( 55) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0034364 k( 56) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 57) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 58) = ( -0.4871795 0.4871795 0.4871795), wk = 0.0034364 k( 59) = ( -0.4743590 0.4743590 0.4743590), wk = 0.0034364 k( 60) = ( -0.4615385 0.4615385 0.4615385), wk = 0.0034364 k( 61) = ( -0.4487179 0.4487179 0.4487179), wk = 0.0034364 k( 62) = ( -0.4358974 0.4358974 0.4358974), wk = 0.0034364 k( 63) = ( -0.4230769 0.4230769 0.4230769), wk = 0.0034364 k( 64) = ( -0.4102564 0.4102564 0.4102564), wk = 0.0034364 k( 65) = ( -0.3974359 0.3974359 0.3974359), wk = 0.0034364 k( 66) = ( -0.3846154 0.3846154 0.3846154), wk = 0.0034364 k( 67) = ( -0.3717949 0.3717949 0.3717949), wk = 0.0034364 k( 68) = ( -0.3589744 0.3589744 0.3589744), wk = 0.0034364 k( 69) = ( -0.3461538 0.3461538 0.3461538), wk = 0.0034364 k( 70) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0034364 k( 71) = ( -0.3205128 0.3205128 0.3205128), wk = 0.0034364 k( 72) = ( -0.3076923 0.3076923 0.3076923), wk = 0.0034364 k( 73) = ( -0.2948718 0.2948718 0.2948718), wk = 0.0034364 k( 74) = ( -0.2820513 0.2820513 0.2820513), wk = 0.0034364 k( 75) = ( -0.2692308 0.2692308 0.2692308), wk = 0.0034364 k( 76) = ( -0.2564103 0.2564103 0.2564103), wk = 0.0034364 k( 77) = ( -0.2435897 0.2435897 0.2435897), wk = 0.0034364 k( 78) = ( -0.2307692 0.2307692 0.2307692), wk = 0.0034364 k( 79) = ( -0.2179487 0.2179487 0.2179487), wk = 0.0034364 k( 80) = ( -0.2051282 0.2051282 0.2051282), wk = 0.0034364 k( 81) = ( -0.1923077 0.1923077 0.1923077), wk = 0.0034364 k( 82) = ( -0.1794872 0.1794872 0.1794872), wk = 0.0034364 k( 83) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0034364 k( 84) = ( -0.1538461 0.1538461 0.1538461), wk = 0.0034364 k( 85) = ( -0.1410256 0.1410256 0.1410256), wk = 0.0034364 k( 86) = ( -0.1282051 0.1282051 0.1282051), wk = 0.0034364 k( 87) = ( -0.1153846 0.1153846 0.1153846), wk = 0.0034364 k( 88) = ( -0.1025641 0.1025641 0.1025641), wk = 0.0034364 k( 89) = ( -0.0897436 0.0897436 0.0897436), wk = 0.0034364 k( 90) = ( -0.0769231 0.0769231 0.0769231), wk = 0.0034364 k( 91) = ( -0.0641026 0.0641026 0.0641026), wk = 0.0034364 k( 92) = ( -0.0512821 0.0512821 0.0512820), wk = 0.0034364 k( 93) = ( -0.0384615 0.0384615 0.0384615), wk = 0.0034364 k( 94) = ( -0.0256410 0.0256410 0.0256410), wk = 0.0034364 k( 95) = ( -0.0128205 0.0128205 0.0128205), wk = 0.0034364 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 98) = ( 0.0063271 0.0063271 -0.0063271), wk = 0.0034364 k( 99) = ( 0.0126543 0.0126543 -0.0126543), wk = 0.0034364 k( 100) = ( 0.0189814 0.0189814 -0.0189814), wk = 0.0034364 k( 101) = ( 0.0253086 0.0253086 -0.0253086), wk = 0.0034364 k( 102) = ( 0.0316357 0.0316357 -0.0316357), wk = 0.0034364 k( 103) = ( 0.0379629 0.0379629 -0.0379629), wk = 0.0034364 k( 104) = ( 0.0442900 0.0442900 -0.0442900), wk = 0.0034364 k( 105) = ( 0.0506171 0.0506171 -0.0506171), wk = 0.0034364 k( 106) = ( 0.0569443 0.0569443 -0.0569443), wk = 0.0034364 k( 107) = ( 0.0632714 0.0632714 -0.0632714), wk = 0.0034364 k( 108) = ( 0.0695986 0.0695986 -0.0695986), wk = 0.0034364 k( 109) = ( 0.0759257 0.0759257 -0.0759257), wk = 0.0034364 k( 110) = ( 0.0822529 0.0822529 -0.0822529), wk = 0.0034364 k( 111) = ( 0.0885800 0.0885800 -0.0885800), wk = 0.0034364 k( 112) = ( 0.0949071 0.0949072 -0.0949072), wk = 0.0034364 k( 113) = ( 0.1012343 0.1012343 -0.1012343), wk = 0.0034364 k( 114) = ( 0.1075614 0.1075614 -0.1075614), wk = 0.0034364 k( 115) = ( 0.1138886 0.1138886 -0.1138886), wk = 0.0034364 k( 116) = ( 0.1202157 0.1202157 -0.1202157), wk = 0.0034364 k( 117) = ( 0.1265429 0.1265429 -0.1265429), wk = 0.0034364 k( 118) = ( 0.1328700 0.1328700 -0.1328700), wk = 0.0034364 k( 119) = ( 0.1391972 0.1391972 -0.1391972), wk = 0.0034364 k( 120) = ( 0.1455243 0.1455243 -0.1455243), wk = 0.0034364 k( 121) = ( 0.1518514 0.1518514 -0.1518514), wk = 0.0034364 k( 122) = ( 0.1581786 0.1581786 -0.1581786), wk = 0.0034364 k( 123) = ( 0.1645057 0.1645057 -0.1645057), wk = 0.0034364 k( 124) = ( 0.1708329 0.1708329 -0.1708329), wk = 0.0034364 k( 125) = ( 0.1771600 0.1771600 -0.1771600), wk = 0.0034364 k( 126) = ( 0.1834872 0.1834872 -0.1834872), wk = 0.0034364 k( 127) = ( 0.1898143 0.1898143 -0.1898143), wk = 0.0034364 k( 128) = ( 0.1961414 0.1961415 -0.1961414), wk = 0.0034364 k( 129) = ( 0.2024686 0.2024686 -0.2024686), wk = 0.0034364 k( 130) = ( 0.2087957 0.2087957 -0.2087957), wk = 0.0034364 k( 131) = ( 0.2151229 0.2151229 -0.2151229), wk = 0.0034364 k( 132) = ( 0.2214500 0.2214500 -0.2214500), wk = 0.0034364 k( 133) = ( 0.2277772 0.2277772 -0.2277772), wk = 0.0034364 k( 134) = ( 0.2341043 0.2341043 -0.2341043), wk = 0.0034364 k( 135) = ( 0.2404315 0.2404315 -0.2404315), wk = 0.0034364 k( 136) = ( 0.2467586 0.2467586 -0.2467586), wk = 0.0034364 k( 137) = ( 0.2530857 0.2530857 -0.2530857), wk = 0.0034364 k( 138) = ( 0.2594129 0.2594129 -0.2594129), wk = 0.0034364 k( 139) = ( 0.2657400 0.2657400 -0.2657400), wk = 0.0034364 k( 140) = ( 0.2720672 0.2720672 -0.2720672), wk = 0.0034364 k( 141) = ( 0.2783943 0.2783943 -0.2783943), wk = 0.0034364 k( 142) = ( 0.2847215 0.2847215 -0.2847215), wk = 0.0034364 k( 143) = ( 0.2910486 0.2910486 -0.2910486), wk = 0.0034364 k( 144) = ( 0.2973757 0.2973758 -0.2973757), wk = 0.0034364 k( 145) = ( 0.3037029 0.3037029 -0.3037029), wk = 0.0034364 k( 146) = ( 0.3100300 0.3100300 -0.3100300), wk = 0.0034364 k( 147) = ( 0.3100300 0.3100300 -0.3100300), wk = 0.0034364 k( 148) = ( 0.3079600 0.3079600 -0.2907187), wk = 0.0034364 k( 149) = ( 0.3058900 0.3058900 -0.2714073), wk = 0.0034364 k( 150) = ( 0.3038200 0.3038200 -0.2520959), wk = 0.0034364 k( 151) = ( 0.3017500 0.3017500 -0.2327845), wk = 0.0034364 k( 152) = ( 0.2996800 0.2996800 -0.2134731), wk = 0.0034364 k( 153) = ( 0.2976100 0.2976100 -0.1941618), wk = 0.0034364 k( 154) = ( 0.2955400 0.2955400 -0.1748504), wk = 0.0034364 k( 155) = ( 0.2934700 0.2934700 -0.1555390), wk = 0.0034364 k( 156) = ( 0.2914000 0.2914000 -0.1362276), wk = 0.0034364 k( 157) = ( 0.2893300 0.2893300 -0.1169162), wk = 0.0034364 k( 158) = ( 0.2872600 0.2872600 -0.0976049), wk = 0.0034364 k( 159) = ( 0.2851900 0.2851900 -0.0782935), wk = 0.0034364 k( 160) = ( 0.2831200 0.2831200 -0.0589821), wk = 0.0034364 k( 161) = ( 0.2810500 0.2810500 -0.0396707), wk = 0.0034364 k( 162) = ( 0.2789800 0.2789800 -0.0203593), wk = 0.0034364 k( 163) = ( 0.2769100 0.2769100 -0.0010480), wk = 0.0034364 k( 164) = ( 0.2748400 0.2748400 0.0182634), wk = 0.0034364 k( 165) = ( 0.2727700 0.2727700 0.0375748), wk = 0.0034364 k( 166) = ( 0.2707000 0.2707000 0.0568862), wk = 0.0034364 k( 167) = ( 0.2686300 0.2686300 0.0761976), wk = 0.0034364 k( 168) = ( 0.2665600 0.2665600 0.0955090), wk = 0.0034364 k( 169) = ( 0.2644900 0.2644900 0.1148203), wk = 0.0034364 k( 170) = ( 0.2624200 0.2624200 0.1341317), wk = 0.0034364 k( 171) = ( 0.2603500 0.2603500 0.1534431), wk = 0.0034364 k( 172) = ( 0.2582800 0.2582800 0.1727545), wk = 0.0034364 k( 173) = ( 0.2562100 0.2562100 0.1920659), wk = 0.0034364 k( 174) = ( 0.2541400 0.2541400 0.2113772), wk = 0.0034364 k( 175) = ( 0.2520700 0.2520700 0.2306886), wk = 0.0034364 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 k( 177) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 k( 178) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0034364 k( 179) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0034364 k( 180) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0034364 k( 181) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034364 k( 182) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0034364 k( 183) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0034364 k( 184) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0034364 k( 185) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034364 k( 186) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0034364 k( 187) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034364 k( 188) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0034364 k( 189) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034364 k( 190) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0034364 k( 191) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0034364 k( 192) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0034364 k( 193) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034364 k( 194) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0034364 k( 195) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0034364 k( 196) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0034364 k( 197) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 198) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 199) = ( -0.0140923 0.5086350 0.0140923), wk = 0.0034364 k( 200) = ( -0.0281845 0.5172700 0.0281845), wk = 0.0034364 k( 201) = ( -0.0422768 0.5259050 0.0422768), wk = 0.0034364 k( 202) = ( -0.0563691 0.5345400 0.0563691), wk = 0.0034364 k( 203) = ( -0.0704614 0.5431750 0.0704614), wk = 0.0034364 k( 204) = ( -0.0845536 0.5518100 0.0845537), wk = 0.0034364 k( 205) = ( -0.0986459 0.5604450 0.0986459), wk = 0.0034364 k( 206) = ( -0.1127382 0.5690800 0.1127382), wk = 0.0034364 k( 207) = ( -0.1268305 0.5777150 0.1268305), wk = 0.0034364 k( 208) = ( -0.1409227 0.5863500 0.1409227), wk = 0.0034364 k( 209) = ( -0.1550150 0.5949850 0.1550150), wk = 0.0034364 k( 210) = ( -0.1691073 0.6036200 0.1691073), wk = 0.0034364 k( 211) = ( -0.1831996 0.6122550 0.1831996), wk = 0.0034364 k( 212) = ( -0.1972918 0.6208900 0.1972918), wk = 0.0034364 k( 213) = ( -0.2113841 0.6295250 0.2113841), wk = 0.0034364 k( 214) = ( -0.2254764 0.6381600 0.2254764), wk = 0.0034364 k( 215) = ( -0.2395687 0.6467950 0.2395687), wk = 0.0034364 k( 216) = ( -0.2536609 0.6554300 0.2536609), wk = 0.0034364 k( 217) = ( -0.2677532 0.6640650 0.2677532), wk = 0.0034364 k( 218) = ( -0.2818455 0.6727000 0.2818455), wk = 0.0034364 k( 219) = ( -0.2959378 0.6813350 0.2959378), wk = 0.0034364 k( 220) = ( -0.3100300 0.6899700 0.3100300), wk = 0.0034364 k( 221) = ( -0.3100300 0.6899700 0.3100300), wk = 0.0034364 k( 222) = ( -0.3163624 0.6836376 0.3163624), wk = 0.0034364 k( 223) = ( -0.3226947 0.6773053 0.3226947), wk = 0.0034364 k( 224) = ( -0.3290270 0.6709730 0.3290270), wk = 0.0034364 k( 225) = ( -0.3353594 0.6646406 0.3353594), wk = 0.0034364 k( 226) = ( -0.3416917 0.6583083 0.3416917), wk = 0.0034364 k( 227) = ( -0.3480240 0.6519760 0.3480240), wk = 0.0034364 k( 228) = ( -0.3543564 0.6456436 0.3543564), wk = 0.0034364 k( 229) = ( -0.3606887 0.6393113 0.3606887), wk = 0.0034364 k( 230) = ( -0.3670210 0.6329790 0.3670210), wk = 0.0034364 k( 231) = ( -0.3733534 0.6266466 0.3733534), wk = 0.0034364 k( 232) = ( -0.3796857 0.6203143 0.3796857), wk = 0.0034364 k( 233) = ( -0.3860180 0.6139820 0.3860180), wk = 0.0034364 k( 234) = ( -0.3923504 0.6076497 0.3923503), wk = 0.0034364 k( 235) = ( -0.3986827 0.6013173 0.3986827), wk = 0.0034364 k( 236) = ( -0.4050150 0.5949850 0.4050150), wk = 0.0034364 k( 237) = ( -0.4113474 0.5886526 0.4113473), wk = 0.0034364 k( 238) = ( -0.4176797 0.5823203 0.4176797), wk = 0.0034364 k( 239) = ( -0.4240120 0.5759880 0.4240120), wk = 0.0034364 k( 240) = ( -0.4303443 0.5696556 0.4303443), wk = 0.0034364 k( 241) = ( -0.4366767 0.5633233 0.4366767), wk = 0.0034364 k( 242) = ( -0.4430090 0.5569910 0.4430090), wk = 0.0034364 k( 243) = ( -0.4493413 0.5506587 0.4493413), wk = 0.0034364 k( 244) = ( -0.4556737 0.5443263 0.4556737), wk = 0.0034364 k( 245) = ( -0.4620060 0.5379940 0.4620060), wk = 0.0034364 k( 246) = ( -0.4683383 0.5316617 0.4683383), wk = 0.0034364 k( 247) = ( -0.4746707 0.5253293 0.4746707), wk = 0.0034364 k( 248) = ( -0.4810030 0.5189970 0.4810030), wk = 0.0034364 k( 249) = ( -0.4873353 0.5126647 0.4873353), wk = 0.0034364 k( 250) = ( -0.4936677 0.5063323 0.4936677), wk = 0.0034364 k( 251) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 253) = ( 0.0064103 0.0064103 0.4935897), wk = 0.0034364 k( 254) = ( 0.0128205 0.0128205 0.4871795), wk = 0.0034364 k( 255) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0034364 k( 256) = ( 0.0256410 0.0256410 0.4743590), wk = 0.0034364 k( 257) = ( 0.0320513 0.0320513 0.4679487), wk = 0.0034364 k( 258) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0034364 k( 259) = ( 0.0448718 0.0448718 0.4551282), wk = 0.0034364 k( 260) = ( 0.0512821 0.0512821 0.4487179), wk = 0.0034364 k( 261) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0034364 k( 262) = ( 0.0641026 0.0641026 0.4358974), wk = 0.0034364 k( 263) = ( 0.0705128 0.0705128 0.4294872), wk = 0.0034364 k( 264) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0034364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034364 k( 266) = ( 0.0897436 0.0897436 0.4102564), wk = 0.0034364 k( 267) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0034364 k( 268) = ( 0.1025641 0.1025641 0.3974359), wk = 0.0034364 k( 269) = ( 0.1089744 0.1089744 0.3910256), wk = 0.0034364 k( 270) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0034364 k( 271) = ( 0.1217949 0.1217949 0.3782051), wk = 0.0034364 k( 272) = ( 0.1282051 0.1282051 0.3717949), wk = 0.0034364 k( 273) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0034364 k( 274) = ( 0.1410256 0.1410256 0.3589744), wk = 0.0034364 k( 275) = ( 0.1474359 0.1474359 0.3525641), wk = 0.0034364 k( 276) = ( 0.1538461 0.1538462 0.3461538), wk = 0.0034364 k( 277) = ( 0.1602564 0.1602564 0.3397436), wk = 0.0034364 k( 278) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034364 k( 279) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0034364 k( 280) = ( 0.1794872 0.1794872 0.3205128), wk = 0.0034364 k( 281) = ( 0.1858974 0.1858974 0.3141026), wk = 0.0034364 k( 282) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0034364 k( 283) = ( 0.1987180 0.1987180 0.3012820), wk = 0.0034364 k( 284) = ( 0.2051282 0.2051282 0.2948718), wk = 0.0034364 k( 285) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0034364 k( 286) = ( 0.2179487 0.2179487 0.2820513), wk = 0.0034364 k( 287) = ( 0.2243590 0.2243590 0.2756410), wk = 0.0034364 k( 288) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0034364 k( 289) = ( 0.2371795 0.2371795 0.2628205), wk = 0.0034364 k( 290) = ( 0.2435897 0.2435897 0.2564103), wk = 0.0034364 k( 291) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 Dense grid: 90689 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 50133 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 270, 58) NL pseudopotentials 0.38 Mb ( 135, 184) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1891) G-vector shells 0.01 Mb ( 888) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 270, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.33 Mb ( 184, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ReNCl4.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.9 secs Computing kpt #: 2 total cpu time spent up to now is 47.2 secs Computing kpt #: 3 total cpu time spent up to now is 49.3 secs Computing kpt #: 4 total cpu time spent up to now is 51.5 secs Computing kpt #: 5 total cpu time spent up to now is 53.6 secs Computing kpt #: 6 total cpu time spent up to now is 55.9 secs Computing kpt #: 7 total cpu time spent up to now is 58.1 secs Computing kpt #: 8 total cpu time spent up to now is 60.2 secs Computing kpt #: 9 total cpu time spent up to now is 62.4 secs Computing kpt #: 10 total cpu time spent up to now is 64.6 secs Computing kpt #: 11 total cpu time spent up to now is 66.9 secs Computing kpt #: 12 total cpu time spent up to now is 69.0 secs Computing kpt #: 13 total cpu time spent up to now is 71.2 secs Computing kpt #: 14 total cpu time spent up to now is 73.4 secs Computing kpt #: 15 total cpu time spent up to now is 75.5 secs Computing kpt #: 16 total cpu time spent up to now is 77.9 secs Computing kpt #: 17 total cpu time spent up to now is 80.2 secs Computing kpt #: 18 total cpu time spent up to now is 82.6 secs Computing kpt #: 19 total cpu time spent up to now is 84.9 secs Computing kpt #: 20 total cpu time spent up to now is 87.1 secs Computing kpt #: 21 total cpu time spent up to now is 89.2 secs Computing kpt #: 22 total cpu time spent up to now is 91.4 secs Computing kpt #: 23 total cpu time spent up to now is 93.6 secs Computing kpt #: 24 total cpu time spent up to now is 95.7 secs Computing kpt #: 25 total cpu time spent up to now is 97.8 secs Computing kpt #: 26 total cpu time spent up to now is 99.9 secs Computing kpt #: 27 total cpu time spent up to now is 102.0 secs Computing kpt #: 28 total cpu time spent up to now is 104.1 secs Computing kpt #: 29 total cpu time spent up to now is 106.3 secs Computing kpt #: 30 total cpu time spent up to now is 108.4 secs Computing kpt #: 31 total cpu time spent up to now is 110.5 secs Computing kpt #: 32 total cpu time spent up to now is 112.8 secs Computing kpt #: 33 total cpu time spent up to now is 115.5 secs Computing kpt #: 34 total cpu time spent up to now is 117.9 secs Computing kpt #: 35 total cpu time spent up to now is 120.3 secs Computing kpt #: 36 total cpu time spent up to now is 122.7 secs Computing kpt #: 37 total cpu time spent up to now is 124.8 secs Computing kpt #: 38 total cpu time spent up to now is 126.9 secs Computing kpt #: 39 total cpu time spent up to now is 129.2 secs Computing kpt #: 40 total cpu time spent up to now is 131.3 secs Computing kpt #: 41 total cpu time spent up to now is 133.4 secs Computing kpt #: 42 total cpu time spent up to now is 135.5 secs Computing kpt #: 43 total cpu time spent up to now is 137.6 secs Computing kpt #: 44 total cpu time spent up to now is 139.8 secs Computing kpt #: 45 total cpu time spent up to now is 142.0 secs Computing kpt #: 46 total cpu time spent up to now is 144.2 secs Computing kpt #: 47 total cpu time spent up to now is 146.2 secs Computing kpt #: 48 total cpu time spent up to now is 148.6 secs Computing kpt #: 49 total cpu time spent up to now is 151.1 secs Computing kpt #: 50 total cpu time spent up to now is 153.5 secs Computing kpt #: 51 total cpu time spent up to now is 155.7 secs Computing kpt #: 52 total cpu time spent up to now is 158.0 secs Computing kpt #: 53 total cpu time spent up to now is 160.2 secs Computing kpt #: 54 total cpu time spent up to now is 162.3 secs Computing kpt #: 55 total cpu time spent up to now is 164.6 secs Computing kpt #: 56 total cpu time spent up to now is 167.0 secs Computing kpt #: 57 total cpu time spent up to now is 169.0 secs Computing kpt #: 58 total cpu time spent up to now is 171.2 secs Computing kpt #: 59 total cpu time spent up to now is 173.3 secs Computing kpt #: 60 total cpu time spent up to now is 175.4 secs Computing kpt #: 61 total cpu time spent up to now is 177.5 secs Computing kpt #: 62 total cpu time spent up to now is 179.5 secs Computing kpt #: 63 total cpu time spent up to now is 181.9 secs Computing kpt #: 64 total cpu time spent up to now is 184.4 secs Computing kpt #: 65 total cpu time spent up to now is 186.7 secs Computing kpt #: 66 total cpu time spent up to now is 189.0 secs Computing kpt #: 67 total cpu time spent up to now is 191.5 secs Computing kpt #: 68 total cpu time spent up to now is 193.7 secs Computing kpt #: 69 total cpu time spent up to now is 196.1 secs Computing kpt #: 70 total cpu time spent up to now is 198.3 secs Computing kpt #: 71 total cpu time spent up to now is 200.6 secs Computing kpt #: 72 total cpu time spent up to now is 202.9 secs Computing kpt #: 73 total cpu time spent up to now is 205.0 secs Computing kpt #: 74 total cpu time spent up to now is 207.2 secs Computing kpt #: 75 total cpu time spent up to now is 209.2 secs Computing kpt #: 76 total cpu time spent up to now is 211.3 secs Computing kpt #: 77 total cpu time spent up to now is 213.5 secs Computing kpt #: 78 total cpu time spent up to now is 215.7 secs Computing kpt #: 79 total cpu time spent up to now is 217.8 secs Computing kpt #: 80 total cpu time spent up to now is 220.0 secs Computing kpt #: 81 total cpu time spent up to now is 222.5 secs Computing kpt #: 82 total cpu time spent up to now is 224.9 secs Computing kpt #: 83 total cpu time spent up to now is 227.2 secs Computing kpt #: 84 total cpu time spent up to now is 229.6 secs Computing kpt #: 85 total cpu time spent up to now is 231.9 secs Computing kpt #: 86 total cpu time spent up to now is 234.2 secs Computing kpt #: 87 total cpu time spent up to now is 236.4 secs Computing kpt #: 88 total cpu time spent up to now is 238.5 secs Computing kpt #: 89 total cpu time spent up to now is 240.6 secs Computing kpt #: 90 total cpu time spent up to now is 242.8 secs Computing kpt #: 91 total cpu time spent up to now is 244.9 secs Computing kpt #: 92 total cpu time spent up to now is 247.0 secs Computing kpt #: 93 total cpu time spent up to now is 249.1 secs Computing kpt #: 94 total cpu time spent up to now is 251.3 secs Computing kpt #: 95 total cpu time spent up to now is 253.4 secs Computing kpt #: 96 total cpu time spent up to now is 255.6 secs Computing kpt #: 97 total cpu time spent up to now is 257.7 secs Computing kpt #: 98 total cpu time spent up to now is 259.9 secs Computing kpt #: 99 total cpu time spent up to now is 262.3 secs Computing kpt #: 100 total cpu time spent up to now is 264.4 secs Computing kpt #: 101 total cpu time spent up to now is 266.8 secs Computing kpt #: 102 total cpu time spent up to now is 269.0 secs Computing kpt #: 103 total cpu time spent up to now is 271.2 secs Computing kpt #: 104 total cpu time spent up to now is 273.3 secs Computing kpt #: 105 total cpu time spent up to now is 275.5 secs Computing kpt #: 106 total cpu time spent up to now is 277.8 secs Computing kpt #: 107 total cpu time spent up to now is 279.9 secs Computing kpt #: 108 total cpu time spent up to now is 282.2 secs Computing kpt #: 109 total cpu time spent up to now is 284.3 secs Computing kpt #: 110 total cpu time spent up to now is 286.5 secs Computing kpt #: 111 total cpu time spent up to now is 288.6 secs Computing kpt #: 112 total cpu time spent up to now is 290.9 secs Computing kpt #: 113 total cpu time spent up to now is 293.2 secs Computing kpt #: 114 total cpu time spent up to now is 295.5 secs Computing kpt #: 115 total cpu time spent up to now is 297.7 secs Computing kpt #: 116 total cpu time spent up to now is 300.5 secs Computing kpt #: 117 total cpu time spent up to now is 302.6 secs Computing kpt #: 118 total cpu time spent up to now is 305.9 secs Computing kpt #: 119 total cpu time spent up to now is 308.5 secs Computing kpt #: 120 total cpu time spent up to now is 311.0 secs Computing kpt #: 121 total cpu time spent up to now is 313.2 secs Computing kpt #: 122 total cpu time spent up to now is 315.5 secs Computing kpt #: 123 total cpu time spent up to now is 317.7 secs Computing kpt #: 124 total cpu time spent up to now is 319.8 secs Computing kpt #: 125 total cpu time spent up to now is 322.0 secs Computing kpt #: 126 total cpu time spent up to now is 324.2 secs Computing kpt #: 127 total cpu time spent up to now is 326.4 secs Computing kpt #: 128 total cpu time spent up to now is 328.6 secs Computing kpt #: 129 total cpu time spent up to now is 330.8 secs Computing kpt #: 130 total cpu time spent up to now is 333.1 secs Computing kpt #: 131 total cpu time spent up to now is 335.3 secs Computing kpt #: 132 total cpu time spent up to now is 337.6 secs Computing kpt #: 133 total cpu time spent up to now is 341.2 secs Computing kpt #: 134 total cpu time spent up to now is 344.6 secs Computing kpt #: 135 total cpu time spent up to now is 347.4 secs Computing kpt #: 136 total cpu time spent up to now is 349.7 secs Computing kpt #: 137 total cpu time spent up to now is 352.0 secs Computing kpt #: 138 total cpu time spent up to now is 354.2 secs Computing kpt #: 139 total cpu time spent up to now is 356.4 secs Computing kpt #: 140 total cpu time spent up to now is 358.6 secs Computing kpt #: 141 total cpu time spent up to now is 360.7 secs Computing kpt #: 142 total cpu time spent up to now is 363.2 secs Computing kpt #: 143 total cpu time spent up to now is 365.4 secs Computing kpt #: 144 total cpu time spent up to now is 367.7 secs Computing kpt #: 145 total cpu time spent up to now is 370.0 secs Computing kpt #: 146 total cpu time spent up to now is 372.2 secs Computing kpt #: 147 total cpu time spent up to now is 374.5 secs Computing kpt #: 148 total cpu time spent up to now is 376.8 secs Computing kpt #: 149 total cpu time spent up to now is 379.1 secs Computing kpt #: 150 total cpu time spent up to now is 381.3 secs Computing kpt #: 151 total cpu time spent up to now is 383.6 secs Computing kpt #: 152 total cpu time spent up to now is 385.9 secs Computing kpt #: 153 total cpu time spent up to now is 388.1 secs Computing kpt #: 154 total cpu time spent up to now is 390.3 secs Computing kpt #: 155 total cpu time spent up to now is 392.6 secs Computing kpt #: 156 total cpu time spent up to now is 394.8 secs Computing kpt #: 157 total cpu time spent up to now is 397.1 secs Computing kpt #: 158 total cpu time spent up to now is 399.3 secs Computing kpt #: 159 total cpu time spent up to now is 401.6 secs Computing kpt #: 160 total cpu time spent up to now is 403.8 secs Computing kpt #: 161 total cpu time spent up to now is 406.1 secs Computing kpt #: 162 total cpu time spent up to now is 408.4 secs Computing kpt #: 163 total cpu time spent up to now is 410.7 secs Computing kpt #: 164 total cpu time spent up to now is 412.9 secs Computing kpt #: 165 total cpu time spent up to now is 415.3 secs Computing kpt #: 166 total cpu time spent up to now is 417.5 secs Computing kpt #: 167 total cpu time spent up to now is 419.6 secs Computing kpt #: 168 total cpu time spent up to now is 422.0 secs Computing kpt #: 169 total cpu time spent up to now is 424.2 secs Computing kpt #: 170 total cpu time spent up to now is 426.5 secs Computing kpt #: 171 total cpu time spent up to now is 428.8 secs Computing kpt #: 172 total cpu time spent up to now is 431.1 secs Computing kpt #: 173 total cpu time spent up to now is 433.7 secs Computing kpt #: 174 total cpu time spent up to now is 436.1 secs Computing kpt #: 175 total cpu time spent up to now is 438.3 secs Computing kpt #: 176 total cpu time spent up to now is 440.6 secs Computing kpt #: 177 total cpu time spent up to now is 443.0 secs Computing kpt #: 178 total cpu time spent up to now is 445.2 secs Computing kpt #: 179 total cpu time spent up to now is 447.5 secs Computing kpt #: 180 total cpu time spent up to now is 449.7 secs Computing kpt #: 181 total cpu time spent up to now is 451.9 secs Computing kpt #: 182 total cpu time spent up to now is 454.3 secs Computing kpt #: 183 total cpu time spent up to now is 456.7 secs Computing kpt #: 184 total cpu time spent up to now is 459.0 secs Computing kpt #: 185 total cpu time spent up to now is 461.5 secs Computing kpt #: 186 total cpu time spent up to now is 463.7 secs Computing kpt #: 187 total cpu time spent up to now is 466.0 secs Computing kpt #: 188 total cpu time spent up to now is 468.2 secs Computing kpt #: 189 total cpu time spent up to now is 470.5 secs Computing kpt #: 190 total cpu time spent up to now is 472.8 secs Computing kpt #: 191 total cpu time spent up to now is 475.0 secs Computing kpt #: 192 total cpu time spent up to now is 477.5 secs Computing kpt #: 193 total cpu time spent up to now is 479.8 secs Computing kpt #: 194 total cpu time spent up to now is 482.1 secs Computing kpt #: 195 total cpu time spent up to now is 484.3 secs Computing kpt #: 196 total cpu time spent up to now is 486.6 secs Computing kpt #: 197 total cpu time spent up to now is 488.8 secs Computing kpt #: 198 total cpu time spent up to now is 491.1 secs Computing kpt #: 199 total cpu time spent up to now is 493.3 secs Computing kpt #: 200 total cpu time spent up to now is 495.5 secs Computing kpt #: 201 total cpu time spent up to now is 498.0 secs Computing kpt #: 202 total cpu time spent up to now is 500.2 secs Computing kpt #: 203 total cpu time spent up to now is 502.5 secs Computing kpt #: 204 total cpu time spent up to now is 504.8 secs Computing kpt #: 205 total cpu time spent up to now is 507.2 secs Computing kpt #: 206 total cpu time spent up to now is 509.6 secs Computing kpt #: 207 total cpu time spent up to now is 511.8 secs Computing kpt #: 208 total cpu time spent up to now is 514.1 secs Computing kpt #: 209 total cpu time spent up to now is 516.3 secs Computing kpt #: 210 total cpu time spent up to now is 518.6 secs Computing kpt #: 211 total cpu time spent up to now is 521.0 secs Computing kpt #: 212 total cpu time spent up to now is 523.5 secs Computing kpt #: 213 total cpu time spent up to now is 525.9 secs Computing kpt #: 214 total cpu time spent up to now is 528.1 secs Computing kpt #: 215 total cpu time spent up to now is 530.4 secs Computing kpt #: 216 total cpu time spent up to now is 532.7 secs Computing kpt #: 217 total cpu time spent up to now is 534.8 secs Computing kpt #: 218 total cpu time spent up to now is 537.1 secs Computing kpt #: 219 total cpu time spent up to now is 539.3 secs Computing kpt #: 220 total cpu time spent up to now is 541.6 secs Computing kpt #: 221 total cpu time spent up to now is 544.2 secs Computing kpt #: 222 total cpu time spent up to now is 546.4 secs Computing kpt #: 223 total cpu time spent up to now is 548.8 secs Computing kpt #: 224 total cpu time spent up to now is 551.0 secs Computing kpt #: 225 total cpu time spent up to now is 553.3 secs Computing kpt #: 226 total cpu time spent up to now is 556.0 secs Computing kpt #: 227 total cpu time spent up to now is 558.2 secs Computing kpt #: 228 total cpu time spent up to now is 561.0 secs Computing kpt #: 229 total cpu time spent up to now is 563.2 secs Computing kpt #: 230 total cpu time spent up to now is 565.4 secs Computing kpt #: 231 total cpu time spent up to now is 567.9 secs Computing kpt #: 232 total cpu time spent up to now is 570.1 secs Computing kpt #: 233 total cpu time spent up to now is 572.2 secs Computing kpt #: 234 total cpu time spent up to now is 574.4 secs Computing kpt #: 235 total cpu time spent up to now is 578.2 secs Computing kpt #: 236 total cpu time spent up to now is 580.5 secs Computing kpt #: 237 total cpu time spent up to now is 583.0 secs Computing kpt #: 238 total cpu time spent up to now is 586.1 secs Computing kpt #: 239 total cpu time spent up to now is 588.2 secs Computing kpt #: 240 total cpu time spent up to now is 590.6 secs Computing kpt #: 241 total cpu time spent up to now is 593.1 secs Computing kpt #: 242 total cpu time spent up to now is 595.2 secs Computing kpt #: 243 total cpu time spent up to now is 597.5 secs Computing kpt #: 244 total cpu time spent up to now is 599.9 secs Computing kpt #: 245 total cpu time spent up to now is 602.0 secs Computing kpt #: 246 total cpu time spent up to now is 604.2 secs Computing kpt #: 247 total cpu time spent up to now is 606.3 secs Computing kpt #: 248 total cpu time spent up to now is 608.9 secs Computing kpt #: 249 total cpu time spent up to now is 611.0 secs Computing kpt #: 250 total cpu time spent up to now is 613.3 secs Computing kpt #: 251 total cpu time spent up to now is 615.3 secs Computing kpt #: 252 total cpu time spent up to now is 617.7 secs Computing kpt #: 253 total cpu time spent up to now is 619.8 secs Computing kpt #: 254 total cpu time spent up to now is 621.9 secs Computing kpt #: 255 total cpu time spent up to now is 624.4 secs Computing kpt #: 256 total cpu time spent up to now is 626.6 secs Computing kpt #: 257 total cpu time spent up to now is 628.9 secs Computing kpt #: 258 total cpu time spent up to now is 631.0 secs Computing kpt #: 259 total cpu time spent up to now is 633.1 secs Computing kpt #: 260 total cpu time spent up to now is 635.4 secs Computing kpt #: 261 total cpu time spent up to now is 638.3 secs Computing kpt #: 262 total cpu time spent up to now is 641.9 secs Computing kpt #: 263 total cpu time spent up to now is 644.9 secs Computing kpt #: 264 total cpu time spent up to now is 647.2 secs Computing kpt #: 265 total cpu time spent up to now is 649.7 secs Computing kpt #: 266 total cpu time spent up to now is 652.2 secs Computing kpt #: 267 total cpu time spent up to now is 654.4 secs Computing kpt #: 268 total cpu time spent up to now is 656.7 secs Computing kpt #: 269 total cpu time spent up to now is 659.0 secs Computing kpt #: 270 total cpu time spent up to now is 661.8 secs Computing kpt #: 271 total cpu time spent up to now is 664.1 secs Computing kpt #: 272 total cpu time spent up to now is 666.6 secs Computing kpt #: 273 total cpu time spent up to now is 669.1 secs Computing kpt #: 274 total cpu time spent up to now is 671.3 secs Computing kpt #: 275 total cpu time spent up to now is 673.5 secs Computing kpt #: 276 total cpu time spent up to now is 675.7 secs Computing kpt #: 277 total cpu time spent up to now is 678.0 secs Computing kpt #: 278 total cpu time spent up to now is 680.2 secs Computing kpt #: 279 total cpu time spent up to now is 682.4 secs Computing kpt #: 280 total cpu time spent up to now is 684.6 secs Computing kpt #: 281 total cpu time spent up to now is 686.9 secs Computing kpt #: 282 total cpu time spent up to now is 689.0 secs Computing kpt #: 283 total cpu time spent up to now is 691.4 secs Computing kpt #: 284 total cpu time spent up to now is 693.6 secs Computing kpt #: 285 total cpu time spent up to now is 695.9 secs Computing kpt #: 286 total cpu time spent up to now is 698.0 secs Computing kpt #: 287 total cpu time spent up to now is 700.3 secs Computing kpt #: 288 total cpu time spent up to now is 702.6 secs Computing kpt #: 289 total cpu time spent up to now is 705.2 secs Computing kpt #: 290 total cpu time spent up to now is 707.4 secs Computing kpt #: 291 total cpu time spent up to now is 709.7 secs ethr = 2.08E-11, avg # of iterations = 17.5 total cpu time spent up to now is 709.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6669 -11.6669 -10.6232 -10.6232 -10.5464 -10.5464 -10.4140 -10.4140 -10.3229 -10.3229 -1.8260 -1.8260 -1.4333 -1.4333 -0.7639 -0.7639 -0.5278 -0.5278 -0.3239 -0.3239 0.0132 0.0132 0.2691 0.2691 1.4038 1.4038 2.0828 2.0828 2.0980 2.0980 2.1221 2.1221 2.2477 2.2477 2.4775 2.4775 2.5535 2.5535 2.6395 2.6395 3.9572 3.9572 5.7917 5.7917 6.0429 6.0429 7.7352 7.7352 7.7747 7.7747 k = 0.0000 0.0000 0.0196 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6667 -11.6661 -10.6239 -10.6238 -10.5496 -10.5433 -10.4144 -10.4143 -10.3256 -10.3198 -1.8253 -1.8250 -1.4331 -1.4318 -0.7675 -0.7632 -0.5290 -0.5263 -0.3259 -0.3217 0.0131 0.0145 0.2689 0.2700 1.4024 1.4036 2.0721 2.0835 2.1007 2.1036 2.1144 2.1311 2.2469 2.2513 2.4641 2.4866 2.5405 2.5647 2.6381 2.6400 3.9559 3.9612 5.7892 5.7938 6.0404 6.0451 7.7348 7.7361 7.7738 7.7761 k = 0.0000 0.0000 0.0392 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6655 -11.6643 -10.6257 -10.6254 -10.5529 -10.5402 -10.4154 -10.4150 -10.3278 -10.3166 -1.8229 -1.8221 -1.4312 -1.4287 -0.7736 -0.7653 -0.5299 -0.5244 -0.3276 -0.3196 0.0140 0.0167 0.2697 0.2718 1.3993 1.4018 2.0600 2.0753 2.1071 2.1076 2.1136 2.1412 2.2491 2.2575 2.4475 2.4884 2.5285 2.5732 2.6361 2.6400 3.9573 3.9678 5.7865 5.7956 6.0376 6.0470 7.7348 7.7375 7.7736 7.7782 k = 0.0000 0.0000 0.0588 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6632 -11.6614 -10.6286 -10.6279 -10.5564 -10.5374 -10.4174 -10.4157 -10.3292 -10.3133 -1.8187 -1.8176 -1.4276 -1.4239 -0.7820 -0.7700 -0.5304 -0.5222 -0.3288 -0.3177 0.0154 0.0193 0.2717 0.2748 1.3947 1.3983 2.0478 2.0653 2.1025 2.1110 2.1253 2.1521 2.2543 2.2657 2.4281 2.4778 2.5224 2.5785 2.6333 2.6402 3.9614 3.9767 5.7836 5.7970 6.0346 6.0485 7.7352 7.7393 7.7739 7.7807 k = 0.0000 0.0000 0.0784 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6600 -11.6575 -10.6324 -10.6314 -10.5604 -10.5351 -10.4203 -10.4162 -10.3298 -10.3102 -1.8130 -1.8115 -1.4225 -1.4175 -0.7922 -0.7770 -0.5306 -0.5198 -0.3295 -0.3161 0.0165 0.0215 0.2756 0.2795 1.3887 1.3934 2.0357 2.0547 2.0983 2.1133 2.1375 2.1636 2.2619 2.2753 2.4067 2.4563 2.5202 2.5807 2.6302 2.6414 3.9680 3.9878 5.7805 5.7981 6.0314 6.0496 7.7360 7.7415 7.7747 7.7838 k = 0.0000 0.0000 0.0980 ( 6284 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6558 -11.6527 -10.6371 -10.6355 -10.5650 -10.5335 -10.4239 -10.4164 -10.3295 -10.3072 -1.8058 -1.8039 -1.4157 -1.4095 -0.8036 -0.7857 -0.5306 -0.5172 -0.3297 -0.3148 0.0164 0.0224 0.2820 0.2864 1.3813 1.3870 2.0240 2.0439 2.0953 2.1142 2.1497 2.1754 2.2714 2.2853 2.3839 2.4285 2.5176 2.5797 2.6274 2.6436 3.9768 4.0006 5.7774 5.7989 6.0282 6.0503 7.7371 7.7440 7.7760 7.7872 k = 0.0000 0.0000 0.1176 ( 6268 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6506 -11.6470 -10.6425 -10.6402 -10.5704 -10.5331 -10.4278 -10.4162 -10.3285 -10.3045 -1.7973 -1.7950 -1.4075 -1.4002 -0.8156 -0.7955 -0.5304 -0.5146 -0.3294 -0.3139 0.0143 0.0212 0.2916 0.2962 1.3727 1.3794 2.0128 2.0331 2.0931 2.1135 2.1619 2.1872 2.2814 2.2945 2.3620 2.3971 2.5130 2.5757 2.6259 2.6466 3.9877 4.0149 5.7742 5.7994 6.0249 6.0507 7.7385 7.7466 7.7777 7.7909 k = 0.0000 0.0000 0.1372 ( 6270 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6445 -11.6403 -10.6485 -10.6453 -10.5766 -10.5343 -10.4316 -10.4155 -10.3269 -10.3020 -1.7876 -1.7849 -1.3980 -1.3896 -0.8277 -0.8060 -0.5300 -0.5118 -0.3288 -0.3133 0.0094 0.0171 0.3044 0.3091 1.3631 1.3706 2.0019 2.0223 2.0914 2.1108 2.1738 2.1986 2.2863 2.3025 2.3449 2.3651 2.5063 2.5689 2.6260 2.6497 4.0002 4.0304 5.7711 5.7995 6.0218 6.0508 7.7400 7.7494 7.7797 7.7947 k = 0.0000 0.0000 0.1568 ( 6266 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6375 -11.6328 -10.6550 -10.6508 -10.5836 -10.5375 -10.4346 -10.4143 -10.3248 -10.2997 -1.7770 -1.7738 -1.3874 -1.3780 -0.8392 -0.8162 -0.5296 -0.5091 -0.3280 -0.3129 0.0017 0.0101 0.3204 0.3250 1.3526 1.3608 1.9916 2.0118 2.0895 2.1053 2.1855 2.2092 2.2762 2.3121 2.3233 2.3514 2.4981 2.5599 2.6275 2.6527 4.0141 4.0466 5.7682 5.7994 6.0187 6.0506 7.7416 7.7521 7.7818 7.7985 k = 0.0000 0.0000 0.1764 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.6298 -11.6245 -10.6619 -10.6566 -10.5914 -10.5429 -10.4366 -10.4126 -10.3224 -10.2977 -1.7656 -1.7619 -1.3759 -1.3657 -0.8495 -0.8256 -0.5291 -0.5063 -0.3271 -0.3126 -0.0088 0.0001 0.3392 0.3435 1.3415 1.3502 1.9817 2.0013 2.0849 2.0976 2.1967 2.2173 2.2561 2.2906 2.3274 2.3573 2.4888 2.5493 2.6301 2.6553 4.0292 4.0633 5.7654 5.7991 6.0159 6.0501 7.7432 7.7548 7.7841 7.8021 k = 0.0000 0.0000 0.1960 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.6212 -11.6155 -10.6693 -10.6627 -10.5998 -10.5504 -10.4374 -10.4107 -10.3197 -10.2958 -1.7536 -1.7495 -1.3639 -1.3529 -0.8580 -0.8335 -0.5286 -0.5035 -0.3265 -0.3122 -0.0217 -0.0124 0.3600 0.3642 1.3298 1.3389 1.9722 1.9907 2.0717 2.0909 2.2057 2.2162 2.2369 2.2713 2.3405 2.3676 2.4789 2.5377 2.6331 2.6575 4.0449 4.0802 5.7630 5.7986 6.0134 6.0495 7.7449 7.7573 7.7864 7.8054 k = 0.0000 0.0000 0.2156 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.6120 -11.6058 -10.6771 -10.6690 -10.6086 -10.5599 -10.4370 -10.4085 -10.3169 -10.2941 -1.7413 -1.7367 -1.3517 -1.3402 -0.8640 -0.8393 -0.5280 -0.5007 -0.3262 -0.3117 -0.0367 -0.0271 0.3822 0.3863 1.3178 1.3271 1.9627 1.9794 2.0505 2.0820 2.1888 2.2180 2.2332 2.2667 2.3533 2.3788 2.4689 2.5256 2.6363 2.6591 4.0612 4.0970 5.7609 5.7979 6.0111 6.0486 7.7465 7.7596 7.7885 7.8083 k = 0.0000 0.0000 0.2352 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.6022 -11.5955 -10.6854 -10.6755 -10.6175 -10.5708 -10.4356 -10.4061 -10.3140 -10.2926 -1.7288 -1.7238 -1.3397 -1.3280 -0.8670 -0.8423 -0.5275 -0.4980 -0.3265 -0.3110 -0.0533 -0.0434 0.4049 0.4091 1.3057 1.3150 1.9525 1.9661 2.0262 2.0648 2.1668 2.2222 2.2363 2.2712 2.3650 2.3900 2.4594 2.5135 2.6395 2.6602 4.0776 4.1135 5.7592 5.7971 6.0092 6.0477 7.7480 7.7617 7.7904 7.8108 k = 0.0000 0.0000 0.2548 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5918 -11.5848 -10.6941 -10.6823 -10.6264 -10.5829 -10.4335 -10.4038 -10.3111 -10.2912 -1.7163 -1.7110 -1.3285 -1.3168 -0.8665 -0.8421 -0.5269 -0.4954 -0.3272 -0.3102 -0.0709 -0.0608 0.4274 0.4318 1.2935 1.3028 1.9375 1.9509 2.0044 2.0372 2.1551 2.2231 2.2440 2.2787 2.3747 2.4006 2.4513 2.5016 2.6425 2.6608 4.0941 4.1295 5.7579 5.7962 6.0077 6.0466 7.7495 7.7634 7.7921 7.8127 k = 0.0000 0.0000 0.2744 ( 6236 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5810 -11.5737 -10.7034 -10.6895 -10.6349 -10.5955 -10.4310 -10.4015 -10.3083 -10.2899 -1.7040 -1.6984 -1.3183 -1.3069 -0.8620 -0.8382 -0.5264 -0.4928 -0.3285 -0.3095 -0.0890 -0.0788 0.4492 0.4539 1.2815 1.2905 1.9119 1.9359 1.9887 2.0054 2.1515 2.2239 2.2527 2.2871 2.3810 2.4101 2.4461 2.4904 2.6453 2.6608 4.1103 4.1448 5.7570 5.7952 6.0067 6.0454 7.7508 7.7649 7.7935 7.8140 k = 0.0000 0.0000 0.2940 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5700 -11.5624 -10.7132 -10.6971 -10.6429 -10.6081 -10.4281 -10.3993 -10.3054 -10.2887 -1.6920 -1.6862 -1.3096 -1.2988 -0.8535 -0.8305 -0.5259 -0.4903 -0.3302 -0.3090 -0.1073 -0.0969 0.4696 0.4746 1.2698 1.2784 1.8792 1.9155 1.9762 1.9807 2.1520 2.2251 2.2611 2.2953 2.3828 2.4176 2.4453 2.4807 2.6476 2.6603 4.1261 4.1593 5.7566 5.7941 6.0060 6.0442 7.7521 7.7661 7.7946 7.8148 k = 0.0000 0.0000 0.3136 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5587 -11.5511 -10.7234 -10.7052 -10.6503 -10.6205 -10.4250 -10.3974 -10.3027 -10.2876 -1.6806 -1.6746 -1.3024 -1.2924 -0.8410 -0.8192 -0.5254 -0.4879 -0.3323 -0.3090 -0.1255 -0.1148 0.4881 0.4935 1.2584 1.2666 1.8444 1.8856 1.9614 1.9720 2.1545 2.2263 2.2689 2.3032 2.3799 2.4223 2.4489 2.4735 2.6496 2.6595 4.1413 4.1729 5.7566 5.7929 6.0058 6.0429 7.7532 7.7670 7.7955 7.8151 k = 0.0000 0.0000 0.3332 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5474 -11.5398 -10.7338 -10.7139 -10.6569 -10.6321 -10.4218 -10.3957 -10.3001 -10.2865 -1.6697 -1.6637 -1.2968 -1.2878 -0.8249 -0.8045 -0.5249 -0.4856 -0.3346 -0.3095 -0.1431 -0.1320 0.5043 0.5100 1.2476 1.2552 1.8100 1.8505 1.9528 1.9666 2.1579 2.2272 2.2762 2.3105 2.3740 2.4231 2.4553 2.4701 2.6511 2.6583 4.1558 4.1854 5.7570 5.7916 6.0060 6.0415 7.7542 7.7675 7.7961 7.8149 k = 0.0000 0.0000 0.3528 ( 6236 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5363 -11.5288 -10.7442 -10.7232 -10.6628 -10.6426 -10.4187 -10.3943 -10.2976 -10.2855 -1.6596 -1.6536 -1.2928 -1.2848 -0.8057 -0.7870 -0.5243 -0.4835 -0.3371 -0.3108 -0.1598 -0.1483 0.5179 0.5239 1.2374 1.2443 1.7775 1.8151 1.9479 1.9626 2.1616 2.2273 2.2828 2.3171 2.3669 2.4202 2.4625 2.4710 2.6521 2.6568 4.1694 4.1967 5.7577 5.7903 6.0066 6.0401 7.7551 7.7678 7.7966 7.8143 k = 0.0000 0.0000 0.3724 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5255 -11.5182 -10.7544 -10.7331 -10.6679 -10.6518 -10.4156 -10.3932 -10.2953 -10.2847 -1.6502 -1.6445 -1.2900 -1.2831 -0.7843 -0.7676 -0.5236 -0.4817 -0.3396 -0.3127 -0.1756 -0.1633 0.5288 0.5349 1.2278 1.2340 1.7477 1.7816 1.9450 1.9597 2.1653 2.2263 2.2887 2.3230 2.3599 2.4149 2.4693 2.4750 2.6527 2.6553 4.1820 4.2068 5.7588 5.7888 6.0075 6.0386 7.7559 7.7677 7.7970 7.8133 k = 0.0000 0.0000 0.3920 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5151 -11.5082 -10.7640 -10.7433 -10.6723 -10.6597 -10.4126 -10.3924 -10.2931 -10.2839 -1.6418 -1.6364 -1.2882 -1.2823 -0.7616 -0.7472 -0.5227 -0.4803 -0.3420 -0.3154 -0.1900 -0.1769 0.5371 0.5430 1.2191 1.2246 1.7214 1.7512 1.9436 1.9576 2.1687 2.2240 2.2940 2.3279 2.3538 2.4086 2.4754 2.4805 2.6529 2.6537 4.1935 4.2156 5.7602 5.7873 6.0088 6.0370 7.7566 7.7674 7.7973 7.8120 k = 0.0000 0.0000 0.4116 ( 6236 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5055 -11.4991 -10.7728 -10.7535 -10.6759 -10.6662 -10.4097 -10.3920 -10.2911 -10.2833 -1.6343 -1.6293 -1.2871 -1.2823 -0.7387 -0.7268 -0.5215 -0.4795 -0.3438 -0.3187 -0.2030 -0.1892 0.5428 0.5484 1.2112 1.2160 1.6988 1.7246 1.9432 1.9561 2.1718 2.2206 2.2987 2.3312 2.3497 2.4023 2.4809 2.4862 2.6519 2.6529 4.2039 4.2232 5.7618 5.7857 6.0104 6.0353 7.7573 7.7669 7.7976 7.8106 k = 0.0000 0.0000 0.4312 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4967 -11.4911 -10.7805 -10.7633 -10.6789 -10.6716 -10.4069 -10.3920 -10.2893 -10.2828 -1.6278 -1.6234 -1.2865 -1.2826 -0.7167 -0.7073 -0.5197 -0.4795 -0.3449 -0.3222 -0.2142 -0.2002 0.5464 0.5515 1.2043 1.2085 1.6803 1.7019 1.9436 1.9550 2.1746 2.2161 2.3028 2.3316 2.3492 2.3962 2.4859 2.4913 2.6506 2.6524 4.2130 4.2293 5.7637 5.7840 6.0122 6.0335 7.7580 7.7662 7.7979 7.8091 k = 0.0000 0.0000 0.4508 ( 6232 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4890 -11.4843 -10.7868 -10.7723 -10.6813 -10.6758 -10.4044 -10.3922 -10.2877 -10.2825 -1.6223 -1.6187 -1.2861 -1.2831 -0.6968 -0.6897 -0.5171 -0.4807 -0.3450 -0.3259 -0.2235 -0.2099 0.5484 0.5527 1.1985 1.2020 1.6659 1.6833 1.9446 1.9542 2.1772 2.2109 2.3065 2.3296 2.3517 2.3904 2.4904 2.4955 2.6494 2.6517 4.2209 4.2340 5.7656 5.7822 6.0142 6.0316 7.7586 7.7654 7.7984 7.8075 k = 0.0000 0.0000 0.4704 ( 6230 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4827 -11.4790 -10.7915 -10.7802 -10.6830 -10.6791 -10.4020 -10.3928 -10.2863 -10.2824 -1.6180 -1.6151 -1.2859 -1.2837 -0.6801 -0.6750 -0.5136 -0.4831 -0.3442 -0.3294 -0.2305 -0.2185 0.5492 0.5526 1.1940 1.1967 1.6554 1.6685 1.9459 1.9535 2.1799 2.2054 2.3098 2.3267 2.3557 2.3850 2.4943 2.4986 2.6487 2.6509 4.2275 4.2374 5.7677 5.7804 6.0163 6.0296 7.7593 7.7645 7.7990 7.8059 k = 0.0000 0.0000 0.4900 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4778 -11.4752 -10.7944 -10.7867 -10.6840 -10.6816 -10.3998 -10.3936 -10.2850 -10.2825 -1.6147 -1.6127 -1.2858 -1.2843 -0.6675 -0.6640 -0.5090 -0.4869 -0.3426 -0.3326 -0.2348 -0.2258 0.5495 0.5519 1.1908 1.1928 1.6487 1.6575 1.9475 1.9527 2.1828 2.1999 2.3127 2.3238 2.3602 2.3798 2.4974 2.5005 2.6483 2.6500 4.2326 4.2393 5.7699 5.7784 6.0185 6.0275 7.7601 7.7636 7.7998 7.8044 k = 0.0000 0.0000 0.5096 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4745 -11.4732 -10.7954 -10.7915 -10.6844 -10.6832 -10.3979 -10.3948 -10.2841 -10.2828 -1.6125 -1.6115 -1.2855 -1.2848 -0.6593 -0.6575 -0.5036 -0.4919 -0.3405 -0.3355 -0.2364 -0.2315 0.5497 0.5509 1.1891 1.1901 1.6457 1.6501 1.9491 1.9517 2.1862 2.1948 2.3156 2.3210 2.3650 2.3747 2.4997 2.5013 2.6483 2.6492 4.2364 4.2398 5.7720 5.7763 6.0208 6.0253 7.7609 7.7627 7.8007 7.8030 k = 0.0000 0.0000 0.5292 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4730 -11.4730 -10.7944 -10.7944 -10.6842 -10.6842 -10.3962 -10.3962 -10.2833 -10.2833 -1.6114 -1.6114 -1.2852 -1.2852 -0.6559 -0.6559 -0.4976 -0.4976 -0.3381 -0.3381 -0.2352 -0.2352 0.5501 0.5501 1.1889 1.1889 1.6461 1.6461 1.9505 1.9505 2.1901 2.1901 2.3183 2.3183 2.3698 2.3698 2.5010 2.5010 2.6486 2.6486 4.2388 4.2388 5.7742 5.7742 6.0231 6.0231 7.7618 7.7618 7.8018 7.8018 k = 0.0000 0.0000 0.5292 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4730 -11.4730 -10.7944 -10.7944 -10.6842 -10.6842 -10.3962 -10.3962 -10.2833 -10.2833 -1.6114 -1.6114 -1.2852 -1.2852 -0.6559 -0.6559 -0.4976 -0.4976 -0.3381 -0.3381 -0.2352 -0.2352 0.5501 0.5501 1.1889 1.1889 1.6461 1.6461 1.9505 1.9505 2.1901 2.1901 2.3183 2.3183 2.3698 2.3698 2.5010 2.5010 2.6486 2.6486 4.2388 4.2388 5.7742 5.7742 6.0231 6.0231 7.7618 7.7618 7.8018 7.8018 k =-0.0185 0.0064 0.5292 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4729 -11.4721 -10.7952 -10.7939 -10.6849 -10.6833 -10.4017 -10.3916 -10.2885 -10.2785 -1.6110 -1.6103 -1.2882 -1.2858 -0.6608 -0.6535 -0.5015 -0.4934 -0.3459 -0.3260 -0.2374 -0.2280 0.5501 0.5508 1.1869 1.1887 1.6447 1.6453 1.9514 1.9517 2.1869 2.1928 2.3064 2.3217 2.3618 2.3808 2.4982 2.5028 2.6491 2.6508 4.2361 4.2433 5.7731 5.7757 6.0191 6.0273 7.7591 7.7619 7.8001 7.8028 k =-0.0370 0.0128 0.5292 ( 6250 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4719 -11.4703 -10.7960 -10.7936 -10.6855 -10.6823 -10.4080 -10.3881 -10.2939 -10.2743 -1.6090 -1.6075 -1.2947 -1.2900 -0.6675 -0.6534 -0.5044 -0.4898 -0.3484 -0.3122 -0.2333 -0.2162 0.5506 0.5520 1.1829 1.1863 1.6411 1.6423 1.9542 1.9550 2.1824 2.1951 2.2900 2.3119 2.3616 2.3908 2.4948 2.5033 2.6523 2.6555 4.2352 4.2495 5.7723 5.7775 6.0154 6.0318 7.7540 7.7597 7.7978 7.8034 k =-0.0556 0.0192 0.5292 ( 6250 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4699 -11.4675 -10.7970 -10.7935 -10.6858 -10.6811 -10.4149 -10.3858 -10.2993 -10.2705 -1.6054 -1.6032 -1.3044 -1.2975 -0.6752 -0.6549 -0.5061 -0.4872 -0.3461 -0.3007 -0.2204 -0.1994 0.5517 0.5538 1.1769 1.1818 1.6353 1.6371 1.9591 1.9601 2.1755 2.1974 2.2706 2.2937 2.3653 2.3985 2.4914 2.5030 2.6579 2.6619 4.2362 4.2572 5.7719 5.7797 6.0120 6.0364 7.7466 7.7551 7.7949 7.8033 k =-0.0741 0.0257 0.5292 ( 6250 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4670 -11.4638 -10.7982 -10.7935 -10.6860 -10.6799 -10.4225 -10.3852 -10.3044 -10.2674 -1.6004 -1.5974 -1.3172 -1.3083 -0.6829 -0.6570 -0.5066 -0.4856 -0.3407 -0.2934 -0.1980 -0.1771 0.5533 0.5561 1.1691 1.1754 1.6276 1.6299 1.9658 1.9668 2.1646 2.1994 2.2477 2.2740 2.3688 2.4036 2.4886 2.5024 2.6655 2.6697 4.2388 4.2663 5.7718 5.7821 6.0090 6.0411 7.7369 7.7482 7.7914 7.8027 k =-0.0926 0.0321 0.5292 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4632 -11.4591 -10.7994 -10.7938 -10.6860 -10.6786 -10.4307 -10.3865 -10.3087 -10.2648 -1.5939 -1.5903 -1.3326 -1.3221 -0.6895 -0.6587 -0.5063 -0.4847 -0.3340 -0.2892 -0.1685 -0.1490 0.5555 0.5589 1.1597 1.1671 1.6181 1.6209 1.9740 1.9749 2.1479 2.1997 2.2216 2.2581 2.3707 2.4060 2.4871 2.5020 2.6743 2.6783 4.2430 4.2765 5.7721 5.7849 6.0063 6.0458 7.7251 7.7392 7.7873 7.8015 k =-0.1111 0.0385 0.5292 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4585 -11.4536 -10.8006 -10.7943 -10.6859 -10.6772 -10.4395 -10.3900 -10.3119 -10.2627 -1.5862 -1.5821 -1.3503 -1.3384 -0.6946 -0.6592 -0.5053 -0.4841 -0.3273 -0.2864 -0.1344 -0.1157 0.5582 0.5623 1.1489 1.1573 1.6071 1.6103 1.9825 1.9842 2.1254 2.1806 2.2099 2.2478 2.3708 2.4057 2.4868 2.5021 2.6837 2.6874 4.2486 4.2876 5.7726 5.7878 6.0042 6.0506 7.7114 7.7282 7.7828 7.7997 k =-0.1296 0.0449 0.5292 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4529 -11.4473 -10.8019 -10.7950 -10.6856 -10.6759 -10.4488 -10.3959 -10.3138 -10.2612 -1.5774 -1.5729 -1.3699 -1.3567 -0.6976 -0.6579 -0.5037 -0.4835 -0.3214 -0.2839 -0.0973 -0.0782 0.5613 0.5661 1.1370 1.1461 1.5948 1.5983 1.9894 1.9946 2.0991 2.1444 2.2117 2.2421 2.3691 2.4031 2.4875 2.5029 2.6934 2.6967 4.2554 4.2992 5.7735 5.7909 6.0024 6.0553 7.6960 7.7153 7.7780 7.7974 k =-0.1481 0.0513 0.5292 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4465 -11.4402 -10.8032 -10.7958 -10.6853 -10.6746 -10.4585 -10.4041 -10.3146 -10.2601 -1.5677 -1.5630 -1.3908 -1.3765 -0.6984 -0.6545 -0.5018 -0.4829 -0.3165 -0.2810 -0.0581 -0.0380 0.5649 0.5703 1.1242 1.1338 1.5814 1.5853 1.9900 2.0049 2.0750 2.1048 2.2151 2.2395 2.3662 2.3990 2.4888 2.5041 2.7028 2.7060 4.2632 4.3111 5.7746 5.7941 6.0012 6.0599 7.6793 7.7008 7.7728 7.7945 k =-0.1667 0.0577 0.5292 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4394 -11.4324 -10.8045 -10.7967 -10.6849 -10.6733 -10.4687 -10.4142 -10.3143 -10.2594 -1.5574 -1.5529 -1.4125 -1.3971 -0.6968 -0.6487 -0.4995 -0.4821 -0.3126 -0.2774 -0.0174 0.0037 0.5690 0.5750 1.1107 1.1206 1.5671 1.5715 1.9755 2.0108 2.0629 2.0674 2.2191 2.2391 2.3623 2.3938 2.4903 2.5056 2.7119 2.7150 4.2717 4.3230 5.7760 5.7974 6.0005 6.0642 7.6614 7.6848 7.7674 7.7911 k =-0.1852 0.0642 0.5292 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4315 -11.4239 -10.8057 -10.7978 -10.6845 -10.6722 -10.4793 -10.4259 -10.3133 -10.2591 -1.5467 -1.5431 -1.4345 -1.4177 -0.6928 -0.6405 -0.4969 -0.4812 -0.3096 -0.2729 0.0241 0.0461 0.5734 0.5800 1.0968 1.1067 1.5524 1.5572 1.9446 1.9934 2.0514 2.0651 2.2234 2.2403 2.3577 2.3879 2.4916 2.5071 2.7203 2.7235 4.2807 4.3347 5.7776 5.8007 6.0004 6.0683 7.6426 7.6677 7.7618 7.7872 k =-0.2037 0.0706 0.5292 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4230 -11.4148 -10.8068 -10.7989 -10.6842 -10.6711 -10.4901 -10.4387 -10.3119 -10.2591 -1.5365 -1.5349 -1.4557 -1.4369 -0.6865 -0.6299 -0.4940 -0.4802 -0.3073 -0.2677 0.0657 0.0881 0.5783 0.5854 1.0826 1.0925 1.5373 1.5426 1.9050 1.9520 2.0580 2.0741 2.2280 2.2430 2.3529 2.3818 2.4924 2.5083 2.7279 2.7313 4.2901 4.3461 5.7794 5.8038 6.0008 6.0721 7.6233 7.6497 7.7561 7.7829 k =-0.2222 0.0770 0.5292 ( 6258 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4140 -11.4052 -10.8078 -10.8001 -10.6840 -10.6702 -10.5010 -10.4526 -10.3101 -10.2594 -1.5309 -1.5281 -1.4744 -1.4523 -0.6779 -0.6172 -0.4909 -0.4791 -0.3055 -0.2619 0.1066 0.1291 0.5836 0.5912 1.0684 1.0781 1.5222 1.5281 1.8617 1.9047 2.0693 2.0854 2.2327 2.2473 2.3482 2.3758 2.4925 2.5090 2.7348 2.7383 4.2997 4.3569 5.7814 5.8069 6.0017 6.0755 7.6037 7.6310 7.7504 7.7782 k =-0.2407 0.0834 0.5292 ( 6258 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4044 -11.3952 -10.8087 -10.8012 -10.6841 -10.6695 -10.5120 -10.4670 -10.3081 -10.2600 -1.5341 -1.5269 -1.4853 -1.4603 -0.6672 -0.6025 -0.4875 -0.4780 -0.3038 -0.2554 0.1462 0.1684 0.5893 0.5973 1.0543 1.0637 1.5072 1.5137 1.8169 1.8559 2.0812 2.0972 2.2376 2.2529 2.3438 2.3701 2.4918 2.5090 2.7407 2.7443 4.3094 4.3669 5.7836 5.8097 6.0033 6.0784 7.5841 7.6120 7.7447 7.7731 k =-0.2593 0.0898 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.3945 -11.3849 -10.8095 -10.8023 -10.6844 -10.6690 -10.5229 -10.4818 -10.3060 -10.2607 -1.5457 -1.5375 -1.4836 -1.4598 -0.6546 -0.5862 -0.4837 -0.4769 -0.3022 -0.2485 0.1840 0.2054 0.5954 0.6039 1.0406 1.0495 1.4925 1.4998 1.7720 1.8071 2.0927 2.1087 2.2429 2.2599 2.3399 2.3650 2.4901 2.5083 2.7455 2.7494 4.3190 4.3762 5.7859 5.8123 6.0053 6.0808 7.5648 7.5929 7.7392 7.7678 k =-0.2778 0.0962 0.5292 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3843 -11.3744 -10.8101 -10.8034 -10.6852 -10.6688 -10.5334 -10.4968 -10.3038 -10.2617 -1.5620 -1.5541 -1.4754 -1.4540 -0.6402 -0.5690 -0.4793 -0.4757 -0.3006 -0.2412 0.2191 0.2394 0.6021 0.6108 1.0272 1.0358 1.4782 1.4863 1.7279 1.7591 2.1031 2.1190 2.2487 2.2680 2.3367 2.3607 2.4875 2.5066 2.7493 2.7535 4.3284 4.3845 5.7883 5.8146 6.0079 6.0827 7.5460 7.5740 7.7339 7.7622 k =-0.2963 0.1027 0.5292 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3739 -11.3639 -10.8105 -10.8044 -10.6863 -10.6689 -10.5436 -10.5117 -10.3016 -10.2627 -1.5798 -1.5723 -1.4654 -1.4459 -0.6244 -0.5515 -0.4756 -0.4730 -0.2986 -0.2336 0.2511 0.2699 0.6091 0.6181 1.0145 1.0225 1.4643 1.4735 1.6855 1.7128 2.1123 2.1279 2.2555 2.2771 2.3345 2.3572 2.4839 2.5040 2.7520 2.7567 4.3375 4.3919 5.7908 5.8166 6.0110 6.0840 7.5281 7.5555 7.7288 7.7565 k =-0.3148 0.1091 0.5292 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3635 -11.3535 -10.8107 -10.8052 -10.6880 -10.6694 -10.5531 -10.5262 -10.2994 -10.2639 -1.5974 -1.5903 -1.4552 -1.4372 -0.6074 -0.5349 -0.4742 -0.4665 -0.2961 -0.2259 0.2796 0.2965 0.6165 0.6257 1.0023 1.0100 1.4510 1.4613 1.6456 1.6689 2.1200 2.1351 2.2632 2.2867 2.3333 2.3548 2.4793 2.5003 2.7537 2.7589 4.3464 4.3983 5.7933 5.8182 6.0145 6.0848 7.5112 7.5377 7.7241 7.7508 k =-0.3333 0.1155 0.5292 ( 6234 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3533 -11.3433 -10.8107 -10.8059 -10.6902 -10.6705 -10.5619 -10.5399 -10.2972 -10.2652 -1.6140 -1.6074 -1.4453 -1.4287 -0.5897 -0.5205 -0.4730 -0.4577 -0.2928 -0.2182 0.3040 0.3189 0.6242 0.6334 0.9910 0.9983 1.4382 1.4497 1.6091 1.6282 2.1262 2.1403 2.2719 2.2967 2.3333 2.3533 2.4738 2.4958 2.7545 2.7602 4.3549 4.4037 5.7959 5.8195 6.0184 6.0849 7.4956 7.5207 7.7197 7.7451 k =-0.3519 0.1219 0.5292 ( 6236 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3433 -11.3337 -10.8104 -10.8065 -10.6928 -10.6722 -10.5698 -10.5527 -10.2951 -10.2666 -1.6294 -1.6233 -1.4359 -1.4208 -0.5716 -0.5091 -0.4718 -0.4469 -0.2882 -0.2107 0.3244 0.3371 0.6319 0.6411 0.9806 0.9876 1.4259 1.4386 1.5766 1.5915 2.1309 2.1438 2.2815 2.3066 2.3345 2.3528 2.4675 2.4903 2.7546 2.7607 4.3630 4.4080 5.7985 5.8204 6.0227 6.0844 7.4814 7.5048 7.7159 7.7395 k =-0.3704 0.1283 0.5292 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3337 -11.3247 -10.8100 -10.8068 -10.6957 -10.6747 -10.5766 -10.5642 -10.2930 -10.2680 -1.6432 -1.6378 -1.4273 -1.4137 -0.5539 -0.5008 -0.4702 -0.4352 -0.2820 -0.2037 0.3406 0.3511 0.6395 0.6484 0.9711 0.9778 1.4140 1.4278 1.5487 1.5594 2.1344 2.1457 2.2917 2.3162 2.3371 2.3532 2.4607 2.4839 2.7541 2.7605 4.3706 4.4113 5.8010 5.8210 6.0272 6.0833 7.4688 7.4901 7.7125 7.7340 k =-0.3889 0.1347 0.5292 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3248 -11.3165 -10.8095 -10.8070 -10.6987 -10.6780 -10.5825 -10.5740 -10.2910 -10.2696 -1.6554 -1.6507 -1.4195 -1.4075 -0.5371 -0.4950 -0.4680 -0.4244 -0.2735 -0.1975 0.3530 0.3615 0.6465 0.6550 0.9628 0.9691 1.4027 1.4172 1.5257 1.5326 2.1368 2.1465 2.3021 2.3248 2.3408 2.3542 2.4535 2.4768 2.7533 2.7596 4.3778 4.4137 5.8035 5.8212 6.0320 6.0816 7.4579 7.4768 7.7098 7.7289 k =-0.4074 0.1412 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3166 -11.3093 -10.8088 -10.8070 -10.7016 -10.6820 -10.5874 -10.5821 -10.2889 -10.2711 -1.6658 -1.6618 -1.4127 -1.4025 -0.5221 -0.4909 -0.4644 -0.4162 -0.2628 -0.1926 0.3620 0.3686 0.6528 0.6606 0.9557 0.9615 1.3923 1.4066 1.5076 1.5114 2.1384 2.1463 2.3126 2.3324 2.3455 2.3557 2.4463 2.4691 2.7524 2.7583 4.3844 4.4151 5.8059 5.8210 6.0369 6.0794 7.4488 7.4651 7.7077 7.7241 k =-0.4259 0.1476 0.5292 ( 6268 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.3095 -11.3033 -10.8081 -10.8069 -10.7040 -10.6867 -10.5913 -10.5883 -10.2870 -10.2727 -1.6743 -1.6711 -1.4068 -1.3985 -0.5099 -0.4884 -0.4588 -0.4114 -0.2501 -0.1893 0.3682 0.3731 0.6582 0.6650 0.9500 0.9550 1.3832 1.3962 1.4938 1.4956 2.1394 2.1456 2.3228 2.3388 2.3503 2.3574 2.4396 2.4611 2.7515 2.7568 4.3905 4.4155 5.8082 5.8206 6.0419 6.0766 7.4416 7.4549 7.7063 7.7197 k =-0.4444 0.1540 0.5292 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3035 -11.2987 -10.8074 -10.8067 -10.7056 -10.6916 -10.5943 -10.5928 -10.2851 -10.2744 -1.6809 -1.6785 -1.4019 -1.3956 -0.5010 -0.4870 -0.4510 -0.4101 -0.2365 -0.1882 0.3722 0.3757 0.6626 0.6681 0.9456 0.9497 1.3761 1.3867 1.4838 1.4847 2.1400 2.1446 2.3325 2.3443 2.3540 2.3592 2.4342 2.4530 2.7508 2.7551 4.3961 4.4151 5.8104 5.8198 6.0470 6.0734 7.4363 7.4465 7.7055 7.7158 k =-0.4630 0.1604 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2989 -11.2955 -10.8068 -10.8064 -10.7062 -10.6964 -10.5964 -10.5958 -10.2832 -10.2760 -1.6855 -1.6839 -1.3981 -1.3938 -0.4950 -0.4867 -0.4418 -0.4120 -0.2231 -0.1896 0.3746 0.3768 0.6661 0.6699 0.9428 0.9456 1.3712 1.3788 1.4771 1.4778 2.1405 2.1436 2.3415 2.3489 2.3559 2.3602 2.4308 2.4452 2.7505 2.7535 4.4010 4.4138 5.8125 5.8188 6.0519 6.0697 7.4331 7.4400 7.7055 7.7124 k =-0.4815 0.1668 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2957 -11.2940 -10.8064 -10.8063 -10.7056 -10.7005 -10.5977 -10.5975 -10.2813 -10.2778 -1.6882 -1.6873 -1.3954 -1.3932 -0.4912 -0.4873 -0.4323 -0.4167 -0.2110 -0.1939 0.3760 0.3771 0.6685 0.6705 0.9414 0.9428 1.3691 1.3729 1.4734 1.4738 2.1411 2.1426 2.3493 2.3525 2.3561 2.3592 2.4305 2.4384 2.7506 2.7522 4.4052 4.4117 5.8144 5.8175 6.0567 6.0657 7.4318 7.4353 7.7062 7.7097 k =-0.5000 0.1732 0.5292 ( 6260 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2940 -11.2940 -10.8063 -10.8063 -10.7036 -10.7036 -10.5981 -10.5981 -10.2795 -10.2795 -1.6888 -1.6888 -1.3937 -1.3937 -0.4887 -0.4887 -0.4237 -0.4237 -0.2011 -0.2011 0.3768 0.3768 0.6700 0.6700 0.9414 0.9414 1.3696 1.3696 1.4724 1.4724 2.1417 2.1417 2.3548 2.3548 2.3556 2.3556 2.4332 2.4332 2.7512 2.7512 4.4088 4.4088 5.8161 5.8161 6.0614 6.0614 7.4326 7.4326 7.7076 7.7076 k =-0.5000 0.1732 0.5292 ( 6260 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2940 -11.2940 -10.8063 -10.8063 -10.7036 -10.7036 -10.5981 -10.5981 -10.2795 -10.2795 -1.6888 -1.6888 -1.3937 -1.3937 -0.4887 -0.4887 -0.4237 -0.4237 -0.2011 -0.2011 0.3768 0.3768 0.6700 0.6700 0.9414 0.9414 1.3696 1.3696 1.4724 1.4724 2.1417 2.1417 2.3548 2.3548 2.3556 2.3556 2.4332 2.4332 2.7512 2.7512 4.4088 4.4088 5.8161 5.8161 6.0614 6.0614 7.4326 7.4326 7.7076 7.7076 k =-0.4872 0.1688 0.5156 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.2956 -11.2939 -10.8064 -10.8063 -10.7056 -10.7005 -10.5977 -10.5976 -10.2813 -10.2778 -1.6882 -1.6874 -1.3953 -1.3932 -0.4910 -0.4874 -0.4321 -0.4168 -0.2108 -0.1940 0.3760 0.3771 0.6686 0.6705 0.9414 0.9428 1.3690 1.3729 1.4733 1.4738 2.1411 2.1426 2.3490 2.3538 2.3552 2.3592 2.4305 2.4382 2.7506 2.7521 4.4053 4.4117 5.8144 5.8175 6.0568 6.0656 7.4318 7.4352 7.7062 7.7096 k =-0.4744 0.1644 0.5020 ( 6266 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2987 -11.2954 -10.8068 -10.8064 -10.7063 -10.6964 -10.5964 -10.5961 -10.2831 -10.2761 -1.6857 -1.6841 -1.3980 -1.3938 -0.4942 -0.4876 -0.4416 -0.4119 -0.2228 -0.1896 0.3748 0.3769 0.6661 0.6700 0.9427 0.9455 1.3711 1.3787 1.4767 1.4775 2.1405 2.1436 2.3408 2.3516 2.3547 2.3600 2.4309 2.4447 2.7504 2.7535 4.4012 4.4137 5.8125 5.8188 6.0521 6.0696 7.4330 7.4397 7.7055 7.7123 k =-0.4615 0.1599 0.4885 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.3033 -11.2985 -10.8073 -10.8066 -10.7057 -10.6915 -10.5942 -10.5938 -10.2849 -10.2745 -1.6813 -1.6788 -1.4017 -1.3954 -0.4983 -0.4903 -0.4507 -0.4094 -0.2364 -0.1878 0.3730 0.3761 0.6627 0.6683 0.9453 0.9494 1.3758 1.3872 1.4825 1.4836 2.1400 2.1448 2.3316 2.3479 2.3535 2.3584 2.4341 2.4519 2.7507 2.7553 4.3964 4.4150 5.8105 5.8198 6.0472 6.0732 7.4360 7.4461 7.7055 7.7156 k =-0.4487 0.1555 0.4749 ( 6272 PWs) bands (ev): -77.5617 -77.5617 -47.5127 -47.5127 -36.7504 -36.7503 -36.5422 -36.5422 -11.3093 -11.3030 -10.8078 -10.8065 -10.7041 -10.6859 -10.5912 -10.5904 -10.2868 -10.2729 -1.6751 -1.6717 -1.4063 -1.3980 -0.5042 -0.4966 -0.4578 -0.4095 -0.2506 -0.1883 0.3705 0.3745 0.6582 0.6653 0.9493 0.9545 1.3832 1.3984 1.4908 1.4923 2.1393 2.1461 2.3220 2.3424 2.3518 2.3558 2.4393 2.4592 2.7513 2.7573 4.3909 4.4153 5.8083 5.8206 6.0422 6.0765 7.4409 7.4541 7.7061 7.7195 k =-0.4359 0.1510 0.4613 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.3167 -11.3090 -10.8083 -10.8061 -10.7014 -10.6799 -10.5875 -10.5862 -10.2886 -10.2714 -1.6671 -1.6628 -1.4119 -1.4017 -0.5151 -0.5045 -0.4621 -0.4127 -0.2644 -0.1907 0.3672 0.3720 0.6525 0.6609 0.9547 0.9608 1.3932 1.4122 1.5018 1.5035 2.1384 2.1474 2.3122 2.3353 2.3495 2.3530 2.4456 2.4663 2.7522 2.7594 4.3849 4.4148 5.8059 5.8212 6.0372 6.0793 7.4476 7.4638 7.7075 7.7239 k =-0.4231 0.1466 0.4478 ( 6258 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3252 -11.3164 -10.8085 -10.8053 -10.6980 -10.6736 -10.5831 -10.5809 -10.2905 -10.2700 -1.6575 -1.6521 -1.4184 -1.4063 -0.5320 -0.5124 -0.4648 -0.4189 -0.2767 -0.1948 0.3628 0.3683 0.6455 0.6549 0.9613 0.9682 1.4059 1.4286 1.5156 1.5174 2.1370 2.1486 2.3025 2.3273 2.3467 2.3504 2.4522 2.4729 2.7533 2.7617 4.3781 4.4132 5.8034 5.8215 6.0322 6.0817 7.4560 7.4750 7.7095 7.7289 k =-0.4103 0.1422 0.4342 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3350 -11.3251 -10.8083 -10.8040 -10.6939 -10.6671 -10.5782 -10.5749 -10.2924 -10.2687 -1.6463 -1.6398 -1.4256 -1.4117 -0.5528 -0.5222 -0.4672 -0.4273 -0.2865 -0.1999 0.3572 0.3633 0.6371 0.6473 0.9691 0.9767 1.4211 1.4477 1.5320 1.5342 2.1351 2.1496 2.2931 2.3187 2.3436 2.3480 2.4587 2.4789 2.7546 2.7639 4.3708 4.4105 5.8007 5.8215 6.0273 6.0836 7.4660 7.4876 7.7122 7.7343 k =-0.3974 0.1377 0.4206 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3457 -11.3350 -10.8076 -10.8021 -10.6894 -10.6605 -10.5727 -10.5681 -10.2943 -10.2675 -1.6339 -1.6259 -1.4336 -1.4178 -0.5764 -0.5353 -0.4703 -0.4361 -0.2938 -0.2059 0.3503 0.3569 0.6272 0.6379 0.9782 0.9863 1.4387 1.4692 1.5513 1.5539 2.1325 2.1501 2.2841 2.3099 2.3404 2.3460 2.4649 2.4842 2.7558 2.7660 4.3627 4.4066 5.7978 5.8213 6.0225 6.0850 7.4774 7.5013 7.7155 7.7402 k =-0.3846 0.1333 0.4070 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3574 -11.3460 -10.8063 -10.7996 -10.6845 -10.6539 -10.5669 -10.5608 -10.2962 -10.2664 -1.6204 -1.6109 -1.4420 -1.4244 -0.6022 -0.5528 -0.4745 -0.4433 -0.2989 -0.2123 0.3420 0.3490 0.6159 0.6267 0.9883 0.9970 1.4587 1.4931 1.5732 1.5766 2.1293 2.1500 2.2754 2.3010 2.3374 2.3444 2.4706 2.4887 2.7569 2.7677 4.3539 4.4016 5.7948 5.8208 6.0179 6.0860 7.4901 7.5160 7.7195 7.7465 k =-0.3718 0.1288 0.3935 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3699 -11.3579 -10.8043 -10.7965 -10.6794 -10.6472 -10.5607 -10.5529 -10.2981 -10.2654 -1.6062 -1.5949 -1.4506 -1.4312 -0.6296 -0.5751 -0.4794 -0.4484 -0.3023 -0.2190 0.3323 0.3395 0.6033 0.6140 0.9996 1.0088 1.4809 1.5191 1.5977 1.6020 2.1253 2.1493 2.2670 2.2921 2.3346 2.3432 2.4757 2.4924 2.7577 2.7690 4.3443 4.3953 5.7916 5.8201 6.0135 6.0865 7.5039 7.5314 7.7242 7.7531 k =-0.3590 0.1244 0.3799 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3831 -11.3707 -10.8016 -10.7927 -10.6740 -10.6404 -10.5542 -10.5448 -10.3000 -10.2646 -1.5920 -1.5786 -1.4590 -1.4378 -0.6583 -0.6015 -0.4843 -0.4517 -0.3046 -0.2258 0.3212 0.3285 0.5895 0.5998 1.0120 1.0218 1.5052 1.5472 1.6246 1.6301 2.1209 2.1480 2.2588 2.2833 2.3321 2.3425 2.4802 2.4953 2.7581 2.7697 4.3339 4.3878 5.7882 5.8192 6.0093 6.0866 7.5185 7.5474 7.7294 7.7600 k =-0.3462 0.1199 0.3663 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.3968 -11.3842 -10.7982 -10.7883 -10.6685 -10.6335 -10.5476 -10.5365 -10.3019 -10.2639 -1.5787 -1.5631 -1.4660 -1.4431 -0.6879 -0.6308 -0.4888 -0.4542 -0.3062 -0.2326 0.3089 0.3162 0.5746 0.5844 1.0254 1.0358 1.5313 1.5772 1.6539 1.6606 2.1160 2.1459 2.2507 2.2745 2.3301 2.3422 2.4841 2.4974 2.7580 2.7698 4.3228 4.3790 5.7848 5.8181 6.0055 6.0863 7.5337 7.5635 7.7353 7.7671 k =-0.3333 0.1155 0.3528 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4110 -11.3983 -10.7941 -10.7834 -10.6629 -10.6266 -10.5408 -10.5281 -10.3039 -10.2634 -1.5678 -1.5506 -1.4696 -1.4461 -0.7180 -0.6620 -0.4928 -0.4563 -0.3073 -0.2392 0.2953 0.3025 0.5588 0.5679 1.0398 1.0508 1.5591 1.6087 1.6851 1.6931 2.1110 2.1434 2.2426 2.2657 2.3284 2.3423 2.4874 2.4988 2.7573 2.7690 4.3108 4.3689 5.7813 5.8169 6.0020 6.0856 7.5494 7.5796 7.7416 7.7743 k =-0.3205 0.1111 0.3392 ( 6232 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4255 -11.4128 -10.7893 -10.7779 -10.6573 -10.6196 -10.5339 -10.5197 -10.3058 -10.2631 -1.5611 -1.5443 -1.4668 -1.4450 -0.7481 -0.6940 -0.4962 -0.4584 -0.3081 -0.2457 0.2807 0.2878 0.5423 0.5506 1.0550 1.0668 1.5885 1.6418 1.7180 1.7273 2.1062 2.1405 2.2346 2.2570 2.3269 2.3426 2.4902 2.4996 2.7559 2.7673 4.2981 4.3575 5.7778 5.8155 5.9989 6.0846 7.5651 7.5954 7.7485 7.7816 k =-0.3077 0.1066 0.3256 ( 6232 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4403 -11.4277 -10.7840 -10.7719 -10.6515 -10.6125 -10.5271 -10.5115 -10.3078 -10.2630 -1.5600 -1.5457 -1.4562 -1.4387 -0.7779 -0.7261 -0.4994 -0.4605 -0.3088 -0.2520 0.2653 0.2721 0.5252 0.5327 1.0712 1.0837 1.6192 1.6760 1.7522 1.7629 2.1019 2.1375 2.2266 2.2482 2.3254 2.3428 2.4925 2.5000 2.7536 2.7647 4.2845 4.3450 5.7744 5.8141 5.9962 6.0832 7.5808 7.6107 7.7557 7.7888 k =-0.2949 0.1022 0.3121 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4552 -11.4428 -10.7780 -10.7654 -10.6458 -10.6054 -10.5203 -10.5035 -10.3097 -10.2632 -1.5645 -1.5529 -1.4402 -1.4276 -0.8069 -0.7576 -0.5022 -0.4627 -0.3094 -0.2581 0.2492 0.2559 0.5078 0.5145 1.0880 1.1012 1.6511 1.7112 1.7873 1.7993 2.0984 2.1345 2.2187 2.2394 2.3238 2.3427 2.4940 2.5002 2.7505 2.7610 4.2702 4.3313 5.7710 5.8125 5.9939 6.0817 7.5961 7.6252 7.7632 7.7959 k =-0.2821 0.0977 0.2985 ( 6236 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4701 -11.4580 -10.7716 -10.7586 -10.6400 -10.5984 -10.5135 -10.4958 -10.3117 -10.2635 -1.5733 -1.5634 -1.4216 -1.4131 -0.8346 -0.7879 -0.5048 -0.4652 -0.3100 -0.2640 0.2325 0.2392 0.4902 0.4961 1.1056 1.1194 1.6838 1.7471 1.8229 1.8362 2.0964 2.1320 2.2110 2.2308 2.3219 2.3420 2.4943 2.5010 2.7465 2.7562 4.2551 4.3165 5.7679 5.8110 5.9922 6.0800 7.6110 7.6389 7.7708 7.8026 k =-0.2692 0.0933 0.2849 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4850 -11.4732 -10.7646 -10.7514 -10.6342 -10.5913 -10.5069 -10.4884 -10.3136 -10.2641 -1.5850 -1.5759 -1.4023 -1.3969 -0.8603 -0.8164 -0.5072 -0.4677 -0.3106 -0.2696 0.2156 0.2224 0.4725 0.4777 1.1237 1.1381 1.7171 1.7830 1.8584 1.8732 2.0963 2.1301 2.2037 2.2223 2.3194 2.3405 2.4934 2.5024 2.7417 2.7504 4.2393 4.3007 5.7649 5.8096 5.9909 6.0781 7.6252 7.6517 7.7783 7.8089 k =-0.2564 0.0888 0.2714 ( 6244 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4997 -11.4882 -10.7572 -10.7439 -10.6284 -10.5844 -10.5004 -10.4814 -10.3155 -10.2649 -1.5984 -1.5898 -1.3839 -1.3803 -0.8834 -0.8423 -0.5095 -0.4705 -0.3112 -0.2749 0.1987 0.2058 0.4550 0.4595 1.1422 1.1571 1.7505 1.8184 1.8933 1.9097 2.0989 2.1292 2.1970 2.2141 2.3164 2.3379 2.4916 2.5043 2.7360 2.7436 4.2229 4.2840 5.7623 5.8082 5.9901 6.0761 7.6385 7.6634 7.7854 7.8146 k =-0.2436 0.0844 0.2578 ( 6236 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5141 -11.5031 -10.7494 -10.7362 -10.6227 -10.5776 -10.4941 -10.4748 -10.3174 -10.2660 -1.6130 -1.6046 -1.3676 -1.3642 -0.9033 -0.8649 -0.5117 -0.4733 -0.3119 -0.2800 0.1818 0.1894 0.4376 0.4416 1.1610 1.1763 1.7836 1.8523 1.9273 1.9454 2.1047 2.1298 2.1913 2.2063 2.3127 2.3342 2.4892 2.5063 2.7296 2.7360 4.2059 4.2663 5.7601 5.8069 5.9898 6.0741 7.6511 7.6741 7.7920 7.8196 k =-0.2308 0.0800 0.2442 ( 6240 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.5283 -11.5177 -10.7414 -10.7283 -10.6171 -10.5710 -10.4878 -10.4685 -10.3192 -10.2674 -1.6283 -1.6201 -1.3542 -1.3499 -0.9192 -0.8834 -0.5137 -0.4764 -0.3128 -0.2847 0.1653 0.1734 0.4206 0.4242 1.1800 1.1956 1.8157 1.8831 1.9604 1.9799 2.1136 2.1330 2.1869 2.1994 2.3085 2.3294 2.4862 2.5083 2.7224 2.7278 4.1884 4.2479 5.7583 5.8057 5.9900 6.0720 7.6627 7.6839 7.7977 7.8236 k =-0.2179 0.0755 0.2307 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.5420 -11.5320 -10.7330 -10.7203 -10.6115 -10.5647 -10.4818 -10.4627 -10.3211 -10.2690 -1.6439 -1.6362 -1.3443 -1.3384 -0.9304 -0.8972 -0.5156 -0.4795 -0.3137 -0.2891 0.1492 0.1581 0.4040 0.4074 1.1991 1.2148 1.8462 1.9095 1.9926 2.0129 2.1223 2.1416 2.1840 2.1944 2.3039 2.3234 2.4827 2.5102 2.7144 2.7195 4.1705 4.2288 5.7570 5.8047 5.9907 6.0699 7.6733 7.6928 7.8024 7.8266 k =-0.2051 0.0711 0.2171 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.5553 -11.5458 -10.7245 -10.7122 -10.6061 -10.5588 -10.4758 -10.4573 -10.3228 -10.2709 -1.6599 -1.6525 -1.3381 -1.3308 -0.9366 -0.9056 -0.5175 -0.4827 -0.3149 -0.2930 0.1338 0.1433 0.3879 0.3913 1.2181 1.2337 1.8743 1.9307 2.0240 2.0445 2.1274 2.1574 2.1814 2.1945 2.2994 2.3164 2.4787 2.5118 2.7054 2.7115 4.1522 4.2092 5.7562 5.8038 5.9919 6.0679 7.6830 7.7009 7.8059 7.8285 k =-0.1923 0.0666 0.2035 ( 6252 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.5681 -11.5591 -10.7158 -10.7041 -10.6009 -10.5532 -10.4700 -10.4523 -10.3245 -10.2730 -1.6758 -1.6690 -1.3360 -1.3273 -0.9375 -0.9084 -0.5192 -0.4860 -0.3162 -0.2965 0.1192 0.1293 0.3725 0.3760 1.2368 1.2523 1.8991 1.9474 2.0535 2.0747 2.1307 2.1711 2.1849 2.2006 2.2959 2.3086 2.4744 2.5132 2.6958 2.7040 4.1338 4.1891 5.7559 5.8031 5.9936 6.0660 7.6917 7.7082 7.8081 7.8292 k =-0.1795 0.0622 0.1900 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.5803 -11.5718 -10.7070 -10.6960 -10.5958 -10.5482 -10.4643 -10.4477 -10.3261 -10.2754 -1.6917 -1.6853 -1.3378 -1.3280 -0.9336 -0.9059 -0.5208 -0.4893 -0.3179 -0.2993 0.1054 0.1161 0.3579 0.3616 1.2552 1.2703 1.9199 1.9608 2.0783 2.1019 2.1361 2.1722 2.2039 2.2102 2.2948 2.3005 2.4700 2.5143 2.6861 2.6969 4.1153 4.1688 5.7562 5.8026 5.9958 6.0641 7.6995 7.7147 7.8089 7.8287 k =-0.1667 0.0577 0.1764 ( 6254 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.5918 -11.5840 -10.6983 -10.6881 -10.5910 -10.5438 -10.4587 -10.4435 -10.3276 -10.2780 -1.7074 -1.7015 -1.3428 -1.3323 -0.9254 -0.8988 -0.5223 -0.4926 -0.3198 -0.3017 0.0926 0.1036 0.3443 0.3483 1.2730 1.2876 1.9366 1.9726 2.0948 2.1205 2.1480 2.1782 2.2181 2.2256 2.2911 2.3001 2.4660 2.5154 2.6765 2.6903 4.0969 4.1482 5.7571 5.8022 5.9984 6.0623 7.7065 7.7204 7.8084 7.8270 k =-0.1538 0.0533 0.1628 ( 6266 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7503 -36.7503 -36.5422 -36.5422 -11.6027 -11.5954 -10.6896 -10.6803 -10.5864 -10.5400 -10.4532 -10.4396 -10.3290 -10.2809 -1.7226 -1.7173 -1.3504 -1.3395 -0.9137 -0.8879 -0.5238 -0.4959 -0.3218 -0.3036 0.0806 0.0918 0.3316 0.3360 1.2902 1.3041 1.9498 1.9836 2.1010 2.1303 2.1614 2.1965 2.2234 2.2459 2.2837 2.3097 2.4634 2.5168 2.6674 2.6841 4.0787 4.1277 5.7584 5.8018 6.0013 6.0607 7.7126 7.7255 7.8067 7.8241 k =-0.1410 0.0489 0.1493 ( 6260 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7503 -36.7503 -36.5422 -36.5422 -11.6128 -11.6061 -10.6810 -10.6728 -10.5821 -10.5368 -10.4479 -10.4360 -10.3301 -10.2840 -1.7373 -1.7325 -1.3597 -1.3488 -0.8996 -0.8743 -0.5251 -0.4992 -0.3239 -0.3052 0.0697 0.0808 0.3200 0.3247 1.3066 1.3197 1.9606 1.9940 2.1015 2.1326 2.1754 2.2094 2.2362 2.2638 2.2793 2.3223 2.4634 2.5191 2.6591 2.6784 4.0610 4.1073 5.7602 5.8016 6.0046 6.0591 7.7179 7.7299 7.8038 7.8202 k =-0.1282 0.0444 0.1357 ( 6259 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7503 -36.7503 -36.5422 -36.5422 -11.6222 -11.6161 -10.6726 -10.6655 -10.5780 -10.5345 -10.4428 -10.4327 -10.3312 -10.2873 -1.7513 -1.7471 -1.3699 -1.3593 -0.8840 -0.8592 -0.5263 -0.5024 -0.3258 -0.3065 0.0596 0.0705 0.3096 0.3147 1.3220 1.3342 1.9702 2.0040 2.1000 2.1311 2.1863 2.2076 2.2588 2.2719 2.2888 2.3347 2.4671 2.5230 2.6516 2.6730 4.0438 4.0873 5.7625 5.8013 6.0082 6.0577 7.7225 7.7336 7.8000 7.8155 k =-0.1154 0.0400 0.1221 ( 6263 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7503 -36.7503 -36.5422 -36.5422 -11.6307 -11.6253 -10.6645 -10.6586 -10.5743 -10.5329 -10.4379 -10.4296 -10.3319 -10.2907 -1.7645 -1.7608 -1.3804 -1.3704 -0.8674 -0.8433 -0.5275 -0.5056 -0.3276 -0.3078 0.0506 0.0609 0.3005 0.3057 1.3364 1.3475 1.9794 2.0137 2.0980 2.1283 2.1885 2.2029 2.2728 2.2788 2.3094 2.3470 2.4749 2.5289 2.6450 2.6679 4.0276 4.0678 5.7650 5.8011 6.0120 6.0564 7.7263 7.7367 7.7955 7.8102 k =-0.1026 0.0355 0.1085 ( 6271 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6384 -11.6336 -10.6568 -10.6521 -10.5708 -10.5320 -10.4333 -10.4268 -10.3325 -10.2943 -1.7767 -1.7735 -1.3907 -1.3815 -0.8507 -0.8276 -0.5284 -0.5087 -0.3290 -0.3091 0.0424 0.0521 0.2926 0.2979 1.3496 1.3595 1.9889 2.0235 2.0960 2.1251 2.1832 2.1967 2.2760 2.2888 2.3299 2.3641 2.4856 2.5369 2.6395 2.6628 4.0124 4.0492 5.7679 5.8008 6.0159 6.0551 7.7294 7.7389 7.7907 7.8046 k =-0.0897 0.0311 0.0950 ( 6271 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6453 -11.6410 -10.6496 -10.6460 -10.5675 -10.5319 -10.4290 -10.4242 -10.3327 -10.2980 -1.7879 -1.7851 -1.4003 -1.3921 -0.8345 -0.8126 -0.5293 -0.5117 -0.3300 -0.3104 0.0352 0.0440 0.2860 0.2912 1.3615 1.3702 1.9988 2.0333 2.0945 2.1220 2.1747 2.1882 2.2755 2.2920 2.3490 2.3875 2.4971 2.5465 2.6353 2.6577 3.9985 4.0315 5.7710 5.8004 6.0198 6.0539 7.7317 7.7405 7.7860 7.7989 k =-0.0769 0.0267 0.0814 ( 6279 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6512 -11.6476 -10.6430 -10.6405 -10.5644 -10.5325 -10.4251 -10.4218 -10.3326 -10.3018 -1.7978 -1.7955 -1.4091 -1.4019 -0.8191 -0.7989 -0.5299 -0.5146 -0.3305 -0.3119 0.0290 0.0367 0.2805 0.2855 1.3721 1.3795 2.0095 2.0434 2.0936 2.1189 2.1650 2.1784 2.2716 2.2889 2.3692 2.4133 2.5075 2.5567 2.6326 2.6527 3.9862 4.0152 5.7742 5.7999 6.0237 6.0527 7.7333 7.7412 7.7817 7.7935 k =-0.0641 0.0222 0.0678 ( 6283 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6562 -11.6532 -10.6372 -10.6356 -10.5614 -10.5337 -10.4218 -10.4197 -10.3320 -10.3056 -1.8063 -1.8044 -1.4167 -1.4107 -0.8049 -0.7870 -0.5303 -0.5174 -0.3305 -0.3136 0.0237 0.0303 0.2762 0.2808 1.3812 1.3874 2.0209 2.0536 2.0933 2.1159 2.1544 2.1681 2.2657 2.2821 2.3902 2.4385 2.5152 2.5658 2.6316 2.6480 3.9757 4.0004 5.7775 5.7992 6.0275 6.0514 7.7343 7.7410 7.7782 7.7885 k =-0.0513 0.0178 0.0543 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6603 -11.6579 -10.6323 -10.6314 -10.5585 -10.5355 -10.4190 -10.4178 -10.3311 -10.3094 -1.8134 -1.8120 -1.4231 -1.4182 -0.7924 -0.7773 -0.5305 -0.5199 -0.3300 -0.3154 0.0195 0.0248 0.2730 0.2769 1.3888 1.3937 2.0330 2.0637 2.0940 2.1132 2.1430 2.1581 2.2591 2.2736 2.4109 2.4612 2.5200 2.5723 2.6321 2.6440 3.9672 3.9873 5.7807 5.7982 6.0312 6.0501 7.7347 7.7402 7.7757 7.7843 k =-0.0385 0.0133 0.0407 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6634 -11.6616 -10.6284 -10.6279 -10.5556 -10.5378 -10.4168 -10.4162 -10.3297 -10.3130 -1.8190 -1.8179 -1.4279 -1.4242 -0.7818 -0.7699 -0.5303 -0.5223 -0.3290 -0.3174 0.0163 0.0203 0.2708 0.2739 1.3949 1.3986 2.0457 2.0731 2.0954 2.1110 2.1307 2.1487 2.2531 2.2649 2.4305 2.4793 2.5233 2.5746 2.6339 2.6414 3.9610 3.9763 5.7837 5.7970 6.0345 6.0487 7.7347 7.7388 7.7742 7.7808 k =-0.0256 0.0089 0.0271 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6656 -11.6643 -10.6256 -10.6253 -10.5526 -10.5404 -10.4153 -10.4150 -10.3279 -10.3166 -1.8230 -1.8223 -1.4313 -1.4288 -0.7734 -0.7652 -0.5298 -0.5245 -0.3276 -0.3196 0.0142 0.0169 0.2695 0.2716 1.3995 1.4019 2.0588 2.0808 2.0970 2.1106 2.1181 2.1396 2.2488 2.2572 2.4486 2.4883 2.5296 2.5718 2.6361 2.6403 3.9572 3.9675 5.7866 5.7955 6.0377 6.0470 7.7347 7.7374 7.7736 7.7781 k =-0.0128 0.0044 0.0136 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6667 -11.6661 -10.6239 -10.6237 -10.5495 -10.5433 -10.4144 -10.4143 -10.3256 -10.3199 -1.8254 -1.8250 -1.4331 -1.4319 -0.7674 -0.7632 -0.5290 -0.5263 -0.3259 -0.3217 0.0131 0.0145 0.2689 0.2700 1.4024 1.4036 2.0718 2.0854 2.0971 2.1055 2.1149 2.1307 2.2469 2.2512 2.4644 2.4864 2.5408 2.5643 2.6382 2.6400 3.9559 3.9611 5.7893 5.7938 6.0405 6.0451 7.7348 7.7361 7.7739 7.7761 k = 0.0000 0.0000 0.0000 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6669 -11.6669 -10.6232 -10.6232 -10.5464 -10.5464 -10.4140 -10.4140 -10.3229 -10.3229 -1.8260 -1.8260 -1.4333 -1.4333 -0.7639 -0.7639 -0.5278 -0.5278 -0.3239 -0.3239 0.0132 0.0132 0.2691 0.2691 1.4038 1.4038 2.0828 2.0828 2.0980 2.0980 2.1221 2.1221 2.2477 2.2477 2.4775 2.4775 2.5535 2.5535 2.6395 2.6395 3.9572 3.9572 5.7917 5.7917 6.0429 6.0429 7.7352 7.7352 7.7747 7.7747 k = 0.0000 0.0000 0.0000 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6669 -11.6669 -10.6232 -10.6232 -10.5464 -10.5464 -10.4140 -10.4140 -10.3229 -10.3229 -1.8260 -1.8260 -1.4333 -1.4333 -0.7639 -0.7639 -0.5278 -0.5278 -0.3239 -0.3239 0.0132 0.0132 0.2691 0.2691 1.4038 1.4038 2.0828 2.0828 2.0980 2.0980 2.1221 2.1221 2.2477 2.2477 2.4775 2.4775 2.5535 2.5535 2.6395 2.6395 3.9572 3.9572 5.7917 5.7917 6.0429 6.0429 7.7352 7.7352 7.7747 7.7747 k = 0.0063 0.0183 0.0000 ( 6285 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6664 -11.6664 -10.6232 -10.6232 -10.5463 -10.5462 -10.4140 -10.4140 -10.3220 -10.3220 -1.8259 -1.8259 -1.4337 -1.4323 -0.7649 -0.7636 -0.5380 -0.5251 -0.3349 -0.3200 0.0077 0.0224 0.2621 0.2794 1.3935 1.3937 2.0818 2.0830 2.0964 2.1011 2.1204 2.1249 2.2486 2.2487 2.4770 2.4790 2.5528 2.5548 2.6392 2.6398 3.9571 3.9579 5.7869 5.7995 6.0383 6.0506 7.7351 7.7351 7.7799 7.7801 k = 0.0127 0.0365 0.0000 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7504 -36.7504 -36.5422 -36.5422 -11.6647 -11.6647 -10.6232 -10.6232 -10.5458 -10.5457 -10.4139 -10.4139 -10.3194 -10.3193 -1.8254 -1.8254 -1.4336 -1.4308 -0.7666 -0.7640 -0.5551 -0.5300 -0.3525 -0.3234 0.0059 0.0346 0.2587 0.2927 1.3633 1.3637 2.0803 2.0822 2.0965 2.1055 2.1200 2.1291 2.2513 2.2515 2.4774 2.4813 2.5528 2.5569 2.6390 2.6402 3.9576 3.9591 5.7852 5.8103 6.0368 6.0613 7.7348 7.7349 7.7958 7.7961 k = 0.0190 0.0548 0.0000 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7505 -36.7505 -36.5422 -36.5422 -11.6619 -11.6619 -10.6231 -10.6231 -10.5450 -10.5448 -10.4138 -10.4138 -10.3149 -10.3148 -1.8245 -1.8245 -1.4329 -1.4287 -0.7689 -0.7651 -0.5783 -0.5423 -0.3758 -0.3341 0.0076 0.0493 0.2588 0.3084 1.3147 1.3153 2.0779 2.0798 2.0982 2.1109 2.1212 2.1349 2.2550 2.2554 2.4785 2.4842 2.5534 2.5596 2.6391 2.6406 3.9586 3.9608 5.7866 5.8240 6.0384 6.0749 7.7343 7.7345 7.8218 7.8222 k = 0.0253 0.0730 0.0000 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7506 -36.7506 -36.5422 -36.5422 -11.6580 -11.6580 -10.6230 -10.6230 -10.5440 -10.5437 -10.4136 -10.4135 -10.3086 -10.3085 -1.8234 -1.8234 -1.4316 -1.4260 -0.7719 -0.7669 -0.6068 -0.5613 -0.4041 -0.3513 0.0123 0.0657 0.2619 0.3259 1.2496 1.2506 2.0740 2.0756 2.1014 2.1168 2.1244 2.1422 2.2589 2.2596 2.4802 2.4874 2.5544 2.5630 2.6396 2.6410 3.9602 3.9631 5.7912 5.8406 6.0432 6.0914 7.7336 7.7338 7.8575 7.8580 k = 0.0316 0.0913 0.0000 ( 6277 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7508 -36.7508 -36.5422 -36.5422 -11.6531 -11.6531 -10.6229 -10.6228 -10.5427 -10.5424 -10.4134 -10.4133 -10.3005 -10.3004 -1.8220 -1.8220 -1.4299 -1.4228 -0.7756 -0.7696 -0.6397 -0.5863 -0.4364 -0.3744 0.0190 0.0831 0.2674 0.3445 1.1703 1.1717 2.0682 2.0695 2.1061 2.1229 2.1300 2.1506 2.2623 2.2633 2.4820 2.4904 2.5556 2.5669 2.6407 2.6415 3.9623 3.9659 5.7991 5.8601 6.0514 6.1108 7.7326 7.7330 7.9020 7.9027 k = 0.0380 0.1096 0.0000 ( 6281 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7509 -36.7509 -36.5421 -36.5421 -11.6472 -11.6472 -10.6227 -10.6227 -10.5412 -10.5409 -10.4131 -10.4130 -10.2904 -10.2904 -1.8202 -1.8202 -1.4277 -1.4191 -0.7801 -0.7733 -0.6764 -0.6162 -0.4718 -0.4024 0.0271 0.1006 0.2747 0.3640 1.0790 1.0810 2.0607 2.0616 2.1118 2.1285 2.1377 2.1595 2.2646 2.2660 2.4837 2.4929 2.5571 2.5714 2.6422 2.6426 3.9650 3.9693 5.8102 5.8824 6.0629 6.1331 7.7315 7.7320 7.9546 7.9553 k = 0.0443 0.1278 0.0000 ( 6265 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7511 -36.7511 -36.5421 -36.5421 -11.6402 -11.6402 -10.6225 -10.6225 -10.5396 -10.5392 -10.4127 -10.4126 -10.2785 -10.2784 -1.8182 -1.8181 -1.4250 -1.4149 -0.7854 -0.7780 -0.7159 -0.6503 -0.5095 -0.4344 0.0356 0.1177 0.2832 0.3838 0.9778 0.9806 2.0515 2.0522 2.1184 2.1332 2.1471 2.1683 2.2654 2.2671 2.4850 2.4948 2.5588 2.5764 2.6431 2.6455 3.9682 3.9731 5.8248 5.9075 6.0779 6.1582 7.7301 7.7307 8.0141 8.0149 k = 0.0506 0.1461 0.0000 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7513 -36.7513 -36.5421 -36.5421 -11.6324 -11.6324 -10.6223 -10.6223 -10.5379 -10.5374 -10.4123 -10.4122 -10.2647 -10.2646 -1.8158 -1.8158 -1.4220 -1.4102 -0.7916 -0.7843 -0.7579 -0.6876 -0.5483 -0.4694 0.0437 0.1334 0.2924 0.4038 0.8686 0.8729 2.0407 2.0414 2.1253 2.1366 2.1577 2.1763 2.2643 2.2665 2.4857 2.4959 2.5608 2.5823 2.6444 2.6495 3.9718 3.9773 5.8427 5.9354 6.0963 6.1862 7.7285 7.7292 8.0795 8.0804 k = 0.0569 0.1643 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7516 -36.7516 -36.5420 -36.5420 -11.6236 -11.6236 -10.6221 -10.6221 -10.5361 -10.5356 -10.4119 -10.4118 -10.2490 -10.2488 -1.8133 -1.8132 -1.4186 -1.4051 -0.8018 -0.7988 -0.7926 -0.7277 -0.5873 -0.5065 0.0504 0.1464 0.3018 0.4237 0.7535 0.7604 2.0287 2.0293 2.1322 2.1383 2.1690 2.1830 2.2612 2.2639 2.4856 2.4961 2.5634 2.5893 2.6462 2.6548 3.9760 3.9820 5.8640 5.9659 6.1183 6.2170 7.7266 7.7275 8.1497 8.1507 k = 0.0633 0.1826 0.0000 ( 6269 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7519 -36.7519 -36.5420 -36.5420 -11.6140 -11.6140 -10.6219 -10.6219 -10.5343 -10.5337 -10.4115 -10.4114 -10.2313 -10.2312 -1.8105 -1.8104 -1.4149 -1.3996 -0.8471 -0.8073 -0.8037 -0.7697 -0.6250 -0.5449 0.0543 0.1543 0.3112 0.4434 0.6351 0.6467 2.0155 2.0162 2.1379 2.1387 2.1805 2.1880 2.2557 2.2590 2.4846 2.4952 2.5670 2.5976 2.6487 2.6615 3.9805 3.9871 5.8888 5.9991 6.1438 6.2505 7.7244 7.7255 8.2236 8.2247 k = 0.0696 0.2009 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7521 -36.7521 -36.5419 -36.5419 -11.6036 -11.6036 -10.6218 -10.6217 -10.5325 -10.5318 -10.4111 -10.4110 -10.2118 -10.2116 -1.8075 -1.8074 -1.4110 -1.3937 -0.8934 -0.8191 -0.8175 -0.8134 -0.6597 -0.5835 0.0529 0.1519 0.3204 0.4629 0.5167 0.5382 2.0014 2.0021 2.1353 2.1443 2.1909 2.1916 2.2477 2.2515 2.4828 2.4935 2.5720 2.6074 2.6521 2.6696 3.9856 3.9926 5.9170 6.0350 6.1728 6.2868 7.7219 7.7233 8.3003 8.3014 k = 0.0759 0.2191 0.0000 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7524 -36.7524 -36.5419 -36.5419 -11.5925 -11.5925 -10.6216 -10.6215 -10.5307 -10.5301 -10.4107 -10.4105 -10.1904 -10.1902 -1.8044 -1.8042 -1.4070 -1.3877 -0.9403 -0.8581 -0.8400 -0.8297 -0.6895 -0.6213 0.0410 0.1280 0.3293 0.4047 0.4470 0.4820 1.9865 1.9871 2.1304 2.1486 2.1914 2.2019 2.2370 2.2413 2.4806 2.4910 2.5786 2.6185 2.6564 2.6790 3.9910 3.9984 5.9486 6.0734 6.2054 6.3257 7.7191 7.7207 8.3786 8.3798 k = 0.0823 0.2374 0.0000 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7528 -36.7528 -36.5418 -36.5418 -11.5807 -11.5807 -10.6215 -10.6214 -10.5290 -10.5283 -10.4103 -10.4101 -10.1672 -10.1670 -1.8012 -1.8010 -1.4029 -1.3815 -0.9877 -0.9037 -0.8674 -0.8447 -0.7130 -0.6572 0.0078 0.0680 0.3109 0.3377 0.3890 0.5009 1.9709 1.9716 2.1232 2.1513 2.1895 2.2110 2.2237 2.2282 2.4783 2.4883 2.5867 2.6307 2.6617 2.6894 3.9968 4.0046 5.9836 6.1143 6.2414 6.3672 7.7160 7.7179 8.4578 8.4591 k = 0.0886 0.2556 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7531 -36.7531 -36.5418 -36.5418 -11.5683 -11.5683 -10.6214 -10.6213 -10.5274 -10.5267 -10.4099 -10.4097 -10.1422 -10.1420 -1.7979 -1.7976 -1.3990 -1.3752 -1.0351 -0.9497 -0.9003 -0.8633 -0.7308 -0.6899 -0.0600 -0.0285 0.2493 0.3457 0.3651 0.5194 1.9549 1.9555 2.1137 2.1518 2.1852 2.2080 2.2122 2.2185 2.4763 2.4857 2.5963 2.6438 2.6681 2.7007 4.0029 4.0111 6.0219 6.1576 6.2807 6.4111 7.7126 7.7148 8.5370 8.5383 k = 0.0949 0.2739 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7535 -36.7535 -36.5417 -36.5417 -11.5555 -11.5554 -10.6213 -10.6212 -10.5259 -10.5251 -10.4095 -10.4093 -10.1156 -10.1154 -1.7947 -1.7944 -1.3953 -1.3689 -1.0824 -0.9959 -0.9372 -0.8862 -0.7440 -0.7182 -0.1606 -0.1464 0.2193 0.3532 0.3616 0.5375 1.9385 1.9391 2.1022 2.1491 2.1786 2.1909 2.1934 2.2242 2.4749 2.4836 2.6071 2.6572 2.6756 2.7126 4.0094 4.0179 6.0633 6.2031 6.3231 6.4574 7.7088 7.7114 8.6155 8.6170 k = 0.1012 0.2922 0.0000 ( 6269 PWs) bands (ev): -77.5617 -77.5617 -47.5130 -47.5130 -36.7539 -36.7539 -36.5417 -36.5417 -11.5421 -11.5421 -10.6213 -10.6212 -10.5246 -10.5237 -10.4092 -10.4090 -10.0874 -10.0872 -1.7917 -1.7912 -1.3921 -1.3628 -1.1293 -1.0421 -0.9760 -0.9134 -0.7543 -0.7416 -0.2798 -0.2743 0.2075 0.3604 0.3676 0.5554 1.9219 1.9224 2.0886 2.1407 2.1699 2.1719 2.1749 2.2279 2.4743 2.4821 2.6189 2.6708 2.6841 2.7246 4.0162 4.0250 6.1077 6.2507 6.3686 6.5057 7.7047 7.7077 8.6928 8.6944 k = 0.1076 0.3104 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7542 -36.7542 -36.5416 -36.5416 -11.5284 -11.5284 -10.6214 -10.6213 -10.5233 -10.5224 -10.4089 -10.4087 -10.0578 -10.0576 -1.7891 -1.7884 -1.3895 -1.3571 -1.1756 -1.0882 -1.0154 -0.9442 -0.7624 -0.7605 -0.4069 -0.4062 0.2042 0.3671 0.3782 0.5730 1.9052 1.9057 2.0730 2.1239 2.1483 2.1593 2.1632 2.2297 2.4746 2.4814 2.6314 2.6840 2.6934 2.7365 4.0233 4.0323 6.1548 6.3003 6.4168 6.5560 7.7004 7.7039 8.7682 8.7700 k = 0.1139 0.3287 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7546 -36.7546 -36.5415 -36.5415 -11.5143 -11.5143 -10.6215 -10.6214 -10.5222 -10.5213 -10.4087 -10.4085 -10.0269 -10.0267 -1.7870 -1.7860 -1.3880 -1.3519 -1.2211 -1.1340 -1.0543 -0.9774 -0.7757 -0.7691 -0.5389 -0.5364 0.2049 0.3735 0.3911 0.5903 1.8887 1.8891 2.0553 2.1000 2.1230 2.1470 2.1547 2.2295 2.4758 2.4817 2.6444 2.6968 2.7034 2.7481 4.0307 4.0399 6.2044 6.3516 6.4674 6.6080 7.6958 7.6998 8.8415 8.8434 k = 0.1202 0.3469 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7550 -36.7550 -36.5415 -36.5415 -11.4999 -11.4999 -10.6217 -10.6216 -10.5212 -10.5203 -10.4086 -10.4084 -9.9948 -9.9946 -1.7859 -1.7845 -1.3879 -1.3475 -1.2656 -1.1795 -1.0916 -1.0117 -0.7879 -0.7746 -0.6704 -0.6651 0.2078 0.3795 0.4053 0.6074 1.8723 1.8726 2.0355 2.0722 2.0968 2.1331 2.1467 2.2274 2.4778 2.4828 2.6574 2.7087 2.7139 2.7591 4.0384 4.0477 6.2562 6.4043 6.5202 6.6613 7.6909 7.6955 8.9122 8.9143 k = 0.1265 0.3652 0.0000 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7554 -36.7554 -36.5414 -36.5414 -11.4854 -11.4854 -10.6221 -10.6220 -10.5204 -10.5195 -10.4086 -10.4084 -9.9618 -9.9616 -1.7862 -1.7843 -1.3898 -1.3443 -1.3091 -1.2250 -1.1267 -1.0458 -0.7990 -0.7979 -0.7906 -0.7792 0.2117 0.3853 0.4202 0.6242 1.8563 1.8565 2.0132 2.0420 2.0704 2.1180 2.1381 2.2236 2.4807 2.4848 2.6705 2.7198 2.7245 2.7693 4.0462 4.0557 6.3099 6.4583 6.5746 6.7157 7.6858 7.6911 8.9802 8.9825 k = 0.1329 0.3835 0.0000 ( 6245 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7558 -36.7558 -36.5414 -36.5414 -11.4707 -11.4707 -10.6225 -10.6224 -10.5198 -10.5188 -10.4087 -10.4085 -9.9280 -9.9277 -1.7887 -1.7861 -1.3941 -1.3512 -1.3427 -1.2705 -1.1586 -1.0787 -0.9231 -0.9108 -0.8061 -0.7828 0.2163 0.3909 0.4355 0.6409 1.8407 1.8408 1.9884 2.0102 2.0446 2.1018 2.1287 2.2183 2.4841 2.4875 2.6832 2.7298 2.7352 2.7785 4.0543 4.0639 6.3650 6.5131 6.6305 6.7707 7.6806 7.6866 9.0452 9.0477 k = 0.1392 0.4017 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7562 -36.7562 -36.5413 -36.5413 -11.4559 -11.4559 -10.6230 -10.6229 -10.5194 -10.5183 -10.4089 -10.4087 -9.8936 -9.8933 -1.7946 -1.7910 -1.4016 -1.3917 -1.3431 -1.3167 -1.1866 -1.1095 -1.0409 -1.0229 -0.8128 -0.7856 0.2213 0.3963 0.4510 0.6573 1.8256 1.8256 1.9609 1.9773 2.0197 2.0847 2.1185 2.2115 2.4882 2.4910 2.6954 2.7386 2.7456 2.7867 4.0626 4.0723 6.4213 6.5685 6.6871 6.8260 7.6753 7.6822 9.1071 9.1098 k = 0.1455 0.4200 0.0000 ( 6241 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7566 -36.7566 -36.5412 -36.5412 -11.4410 -11.4410 -10.6237 -10.6236 -10.5191 -10.5180 -10.4093 -10.4091 -9.8588 -9.8586 -1.8056 -1.8007 -1.4302 -1.4127 -1.3641 -1.3462 -1.2101 -1.1502 -1.1375 -1.1240 -0.8180 -0.7874 0.2265 0.4017 0.4666 0.6735 1.8112 1.8112 1.9312 1.9436 1.9959 2.0669 2.1074 2.2034 2.4928 2.4950 2.7071 2.7463 2.7557 2.7937 4.0711 4.0808 6.4782 6.6241 6.7442 6.8811 7.6700 7.6779 9.1658 9.1687 k = 0.1519 0.4382 0.0000 ( 6241 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7569 -36.7569 -36.5412 -36.5412 -11.4262 -11.4262 -10.6245 -10.6244 -10.5190 -10.5180 -10.4098 -10.4096 -9.8240 -9.8237 -1.8242 -1.8177 -1.4660 -1.4274 -1.4125 -1.3525 -1.2486 -1.2291 -1.2107 -1.1618 -0.8217 -0.7883 0.2318 0.4069 0.4822 0.6895 1.7974 1.7976 1.8999 1.9095 1.9730 2.0485 2.0955 2.1943 2.4979 2.4995 2.7180 2.7527 2.7653 2.7996 4.0798 4.0895 6.5353 6.6796 6.8011 6.9356 7.6647 7.6738 9.2214 9.2244 k = 0.1582 0.4565 0.0000 ( 6241 PWs) bands (ev): -77.5616 -77.5616 -47.5133 -47.5133 -36.7573 -36.7573 -36.5411 -36.5411 -11.4114 -11.4114 -10.6255 -10.6254 -10.5191 -10.5181 -10.4104 -10.4102 -9.7893 -9.7890 -1.8533 -1.8454 -1.4980 -1.4598 -1.4453 -1.3623 -1.3336 -1.2814 -1.2438 -1.1822 -0.8241 -0.7881 0.2373 0.4121 0.4977 0.7054 1.7845 1.7848 1.8676 1.8753 1.9506 2.0296 2.0830 2.1842 2.5033 2.5045 2.7281 2.7580 2.7743 2.8043 4.0887 4.0984 6.5922 6.7344 6.8573 6.9888 7.6596 7.6700 9.2736 9.2769 k = 0.1645 0.4748 0.0000 ( 6237 PWs) bands (ev): -77.5616 -77.5616 -47.5133 -47.5133 -36.7577 -36.7577 -36.5411 -36.5411 -11.3968 -11.3968 -10.6266 -10.6265 -10.5195 -10.5184 -10.4112 -10.4110 -9.7550 -9.7548 -1.8951 -1.8865 -1.5249 -1.5012 -1.4654 -1.4037 -1.3754 -1.3372 -1.2553 -1.1985 -0.8250 -0.7869 0.2429 0.4172 0.5131 0.7210 1.7726 1.7729 1.8348 1.8411 1.9286 2.0104 2.0699 2.1732 2.5090 2.5098 2.7374 2.7621 2.7826 2.8079 4.0977 4.1074 6.6483 6.7883 6.9121 7.0402 7.6547 7.6668 9.3228 9.3262 k = 0.1708 0.4930 0.0000 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7580 -36.7580 -36.5410 -36.5410 -11.3822 -11.3822 -10.6279 -10.6278 -10.5200 -10.5189 -10.4122 -10.4120 -9.7215 -9.7212 -1.9494 -1.9410 -1.5462 -1.5329 -1.4868 -1.4588 -1.3912 -1.3815 -1.2644 -1.2116 -0.8244 -0.7846 0.2486 0.4224 0.5283 0.7364 1.7616 1.7621 1.8020 1.8073 1.9070 1.9910 2.0562 2.1615 2.5150 2.5155 2.7457 2.7651 2.7902 2.8103 4.1068 4.1165 6.7031 6.8406 6.9651 7.0892 7.6502 7.6643 9.3687 9.3724 k = 0.1772 0.5113 0.0000 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7584 -36.7584 -36.5410 -36.5410 -11.3679 -11.3679 -10.6293 -10.6292 -10.5208 -10.5197 -10.4134 -10.4132 -9.6890 -9.6887 -2.0133 -2.0058 -1.5639 -1.5545 -1.5084 -1.4995 -1.4171 -1.4087 -1.2721 -1.2221 -0.8223 -0.7812 0.2544 0.4277 0.5434 0.7516 1.7517 1.7522 1.7693 1.7739 1.8856 1.9716 2.0422 2.1492 2.5212 2.5215 2.7532 2.7670 2.7969 2.8117 4.1161 4.1258 6.7562 6.8911 7.0155 7.1352 7.6463 7.6626 9.4116 9.4155 k = 0.1835 0.5295 0.0000 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7587 -36.7587 -36.5410 -36.5410 -11.3538 -11.3538 -10.6309 -10.6308 -10.5218 -10.5207 -10.4148 -10.4146 -9.6578 -9.6575 -2.0825 -2.0762 -1.5822 -1.5683 -1.5296 -1.5251 -1.4458 -1.4269 -1.2790 -1.2312 -0.8186 -0.7766 0.2603 0.4331 0.5582 0.7666 1.7372 1.7412 1.7429 1.7435 1.8646 1.9521 2.0278 2.1363 2.5275 2.5276 2.7598 2.7680 2.8029 2.8121 4.1255 4.1352 6.8070 6.9393 7.0627 7.1775 7.6430 7.6621 9.4515 9.4556 k = 0.1898 0.5478 0.0000 ( 6281 PWs) bands (ev): -77.5617 -77.5617 -47.5135 -47.5135 -36.7590 -36.7590 -36.5410 -36.5410 -11.3399 -11.3399 -10.6327 -10.6326 -10.5231 -10.5219 -10.4164 -10.4161 -9.6282 -9.6279 -2.1532 -2.1479 -1.6036 -1.5775 -1.5498 -1.5367 -1.4684 -1.4451 -1.2856 -1.2394 -0.8135 -0.7709 0.2663 0.4386 0.5728 0.7814 1.7057 1.7093 1.7353 1.7360 1.8438 1.9326 2.0130 2.1230 2.5339 2.5340 2.7655 2.7680 2.8080 2.8115 4.1350 4.1446 6.8551 6.9847 7.1062 7.2156 7.6405 7.6629 9.4884 9.4927 k = 0.1961 0.5661 0.0000 ( 6293 PWs) bands (ev): -77.5617 -77.5617 -47.5135 -47.5135 -36.7593 -36.7593 -36.5410 -36.5410 -11.3263 -11.3263 -10.6347 -10.6346 -10.5246 -10.5234 -10.4181 -10.4179 -9.6006 -9.6003 -2.2222 -2.2177 -1.6256 -1.5847 -1.5686 -1.5391 -1.4848 -1.4625 -1.2923 -1.2473 -0.8070 -0.7640 0.2724 0.4442 0.5871 0.7958 1.6751 1.6783 1.7289 1.7297 1.8234 1.9133 1.9981 2.1092 2.5404 2.5406 2.7672 2.7704 2.8101 2.8123 4.1447 4.1542 6.8999 7.0269 7.1453 7.2488 7.6389 7.6650 9.5226 9.5270 k = 0.2025 0.5843 0.0000 ( 6285 PWs) bands (ev): -77.5617 -77.5617 -47.5135 -47.5135 -36.7595 -36.7595 -36.5409 -36.5409 -11.3131 -11.3131 -10.6369 -10.6368 -10.5263 -10.5251 -10.4202 -10.4199 -9.5752 -9.5749 -2.2874 -2.2836 -1.6460 -1.5915 -1.5857 -1.5365 -1.4950 -1.4787 -1.2991 -1.2553 -0.7990 -0.7561 0.2787 0.4500 0.6011 0.8101 1.6455 1.6484 1.7238 1.7247 1.8033 1.8943 1.9828 2.0951 2.5469 2.5472 2.7657 2.7744 2.8079 2.8158 4.1544 4.1639 6.9410 7.0656 7.1796 7.2768 7.6382 7.6685 9.5540 9.5586 k = 0.2088 0.6026 0.0000 ( 6293 PWs) bands (ev): -77.5617 -77.5617 -47.5135 -47.5135 -36.7597 -36.7597 -36.5409 -36.5409 -11.3002 -11.3002 -10.6393 -10.6392 -10.5283 -10.5270 -10.4224 -10.4222 -9.5524 -9.5521 -2.3472 -2.3439 -1.6639 -1.6010 -1.5988 -1.5307 -1.4993 -1.4933 -1.3062 -1.2635 -0.7898 -0.7472 0.2851 0.4560 0.6148 0.8240 1.6170 1.6197 1.7199 1.7209 1.7837 1.8755 1.9674 2.0806 2.5535 2.5538 2.7635 2.7777 2.8050 2.8186 4.1642 4.1737 6.9779 7.1002 7.2088 7.2995 7.6384 7.6732 9.5827 9.5875 k = 0.2151 0.6209 0.0000 ( 6289 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7599 -36.7599 -36.5409 -36.5409 -11.2877 -11.2877 -10.6419 -10.6417 -10.5305 -10.5293 -10.4248 -10.4246 -9.5324 -9.5321 -2.4007 -2.3978 -1.6790 -1.6142 -1.6063 -1.5226 -1.5063 -1.4985 -1.3137 -1.2720 -0.7795 -0.7374 0.2916 0.4622 0.6281 0.8375 1.5898 1.5923 1.7174 1.7185 1.7645 1.8571 1.9519 2.0659 2.5601 2.5604 2.7608 2.7802 2.8014 2.8207 4.1741 4.1835 7.0103 7.1305 7.2326 7.3169 7.6392 7.6786 9.6088 9.6138 k = 0.2215 0.6391 0.0000 ( 6289 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7600 -36.7600 -36.5409 -36.5409 -11.2757 -11.2757 -10.6446 -10.6445 -10.5330 -10.5317 -10.4275 -10.4273 -9.5154 -9.5151 -2.4469 -2.4443 -1.6913 -1.6252 -1.6133 -1.5173 -1.5128 -1.4938 -1.3215 -1.2808 -0.7681 -0.7267 0.2983 0.4687 0.6409 0.8508 1.5638 1.5661 1.7162 1.7174 1.7459 1.8391 1.9362 2.0509 2.5668 2.5670 2.7577 2.7820 2.7974 2.8220 4.1840 4.1934 7.0379 7.1562 7.2511 7.3294 7.6403 7.6841 9.6324 9.6375 k = 0.2278 0.6574 0.0000 ( 6297 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7602 -36.7602 -36.5408 -36.5408 -11.2641 -11.2641 -10.6476 -10.6475 -10.5357 -10.5344 -10.4304 -10.4302 -9.5017 -9.5014 -2.4854 -2.4830 -1.7008 -1.6341 -1.6191 -1.5263 -1.5016 -1.4862 -1.3296 -1.2898 -0.7558 -0.7153 0.3052 0.4753 0.6533 0.8636 1.5392 1.5415 1.7162 1.7177 1.7277 1.8215 1.9204 2.0357 2.5734 2.5735 2.7541 2.7831 2.7929 2.8227 4.1939 4.2034 7.0602 7.1769 7.2646 7.3374 7.6412 7.6890 9.6535 9.6587 k = 0.2341 0.6756 0.0000 ( 6265 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5407 -36.5407 -11.2529 -11.2529 -10.6507 -10.6506 -10.5386 -10.5374 -10.4335 -10.4333 -9.4915 -9.4912 -2.5157 -2.5134 -1.7074 -1.6407 -1.6231 -1.5333 -1.4892 -1.4764 -1.3380 -1.2991 -0.7426 -0.7031 0.3122 0.4822 0.6652 0.8760 1.5162 1.5183 1.7101 1.7176 1.7194 1.8045 1.9046 2.0203 2.5799 2.5800 2.7503 2.7835 2.7880 2.8226 4.2040 4.2134 7.0771 7.1925 7.2732 7.3415 7.6414 7.6926 9.6721 9.6775 k = 0.2404 0.6939 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2423 -11.2423 -10.6541 -10.6539 -10.5418 -10.5406 -10.4368 -10.4366 -9.4849 -9.4846 -2.5375 -2.5354 -1.7113 -1.6450 -1.6251 -1.5382 -1.4755 -1.4648 -1.3466 -1.3084 -0.7288 -0.6903 0.3194 0.4893 0.6765 0.8879 1.4946 1.4966 1.6930 1.7200 1.7224 1.7883 1.8887 2.0047 2.5862 2.5864 2.7462 2.7828 2.7834 2.8220 4.2139 4.2234 7.0884 7.2028 7.2775 7.3422 7.6402 7.6941 9.6883 9.6938 k = 0.2468 0.7122 0.0000 ( 6245 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2322 -11.2322 -10.6576 -10.6575 -10.5453 -10.5440 -10.4403 -10.4401 -9.4819 -9.4816 -2.5508 -2.5487 -1.7124 -1.6470 -1.6247 -1.5411 -1.4608 -1.4516 -1.3553 -1.3176 -0.7144 -0.6771 0.3267 0.4967 0.6872 0.8994 1.4746 1.4766 1.6766 1.7231 1.7269 1.7733 1.8727 1.9890 2.5924 2.5927 2.7420 2.7774 2.7826 2.8207 4.2239 4.2334 7.0939 7.2077 7.2777 7.3400 7.6373 7.6930 9.7021 9.7076 k = 0.2531 0.7304 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2227 -11.2227 -10.6613 -10.6612 -10.5489 -10.5477 -10.4441 -10.4439 -9.4826 -9.4823 -2.5554 -2.5533 -1.7107 -1.6469 -1.6219 -1.5421 -1.4449 -1.4370 -1.3640 -1.3266 -0.6995 -0.6633 0.3342 0.5043 0.6973 0.9102 1.4562 1.4581 1.6607 1.7256 1.7327 1.7607 1.8567 1.9732 2.5983 2.5989 2.7377 2.7717 2.7813 2.8188 4.2338 4.2433 7.0935 7.2071 7.2743 7.3352 7.6322 7.6890 9.7134 9.7190 k = 0.2594 0.7487 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2138 -11.2138 -10.6652 -10.6651 -10.5528 -10.5516 -10.4480 -10.4478 -9.4871 -9.4868 -2.5514 -2.5494 -1.7062 -1.6445 -1.6166 -1.5414 -1.4279 -1.4210 -1.3726 -1.3351 -0.6842 -0.6493 0.3418 0.5121 0.7068 0.9205 1.4395 1.4414 1.6455 1.7238 1.7398 1.7543 1.8407 1.9573 2.6040 2.6050 2.7335 2.7660 2.7795 2.8163 4.2437 4.2532 7.0874 7.2011 7.2673 7.3280 7.6249 7.6818 9.7222 9.7278 k = 0.2657 0.7669 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5407 -36.5407 -11.2054 -11.2054 -10.6692 -10.6691 -10.5569 -10.5557 -10.4522 -10.4520 -9.4952 -9.4949 -2.5390 -2.5370 -1.6989 -1.6401 -1.6087 -1.5390 -1.4096 -1.4036 -1.3808 -1.3427 -0.6686 -0.6349 0.3496 0.5202 0.7155 0.9302 1.4245 1.4263 1.6308 1.7151 1.7483 1.7569 1.8247 1.9413 2.6094 2.6109 2.7293 2.7601 2.7771 2.8132 4.2535 4.2630 7.0755 7.1897 7.2570 7.3184 7.6152 7.6716 9.7285 9.7341 k = 0.2721 0.7852 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7601 -36.7601 -36.5408 -36.5407 -11.1977 -11.1977 -10.6734 -10.6733 -10.5613 -10.5600 -10.4565 -10.4563 -9.5068 -9.5065 -2.5185 -2.5164 -1.6888 -1.6339 -1.5982 -1.5355 -1.3899 -1.3886 -1.3847 -1.3492 -0.6528 -0.6204 0.3575 0.5284 0.7235 0.9392 1.4111 1.4130 1.6168 1.7030 1.7581 1.7646 1.8087 1.9253 2.6145 2.6165 2.7253 2.7542 2.7742 2.8095 4.2631 4.2728 7.0580 7.1731 7.2433 7.3066 7.6035 7.6585 9.7321 9.7376 k = 0.2784 0.8035 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7600 -36.7600 -36.5408 -36.5408 -11.1907 -11.1907 -10.6778 -10.6777 -10.5658 -10.5645 -10.4610 -10.4608 -9.5218 -9.5216 -2.4903 -2.4881 -1.6760 -1.6260 -1.5850 -1.5313 -1.3955 -1.3687 -1.3643 -1.3540 -0.6369 -0.6057 0.3654 0.5368 0.7307 0.9474 1.3995 1.4014 1.6035 1.6900 1.7691 1.7751 1.7928 1.9095 2.6193 2.6220 2.7215 2.7482 2.7708 2.8051 4.2727 4.2824 7.0352 7.1515 7.2260 7.2922 7.5900 7.6430 9.7329 9.7384 k = 0.2847 0.8217 0.0000 ( 6245 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7598 -36.7598 -36.5408 -36.5408 -11.1844 -11.1844 -10.6823 -10.6822 -10.5704 -10.5692 -10.4657 -10.4655 -9.5400 -9.5397 -2.4548 -2.4526 -1.6604 -1.6167 -1.5692 -1.5270 -1.4012 -1.3564 -1.3458 -1.3421 -0.6209 -0.5910 0.3735 0.5454 0.7370 0.9549 1.3896 1.3916 1.5907 1.6771 1.7769 1.7811 1.7874 1.8938 2.6236 2.6271 2.7179 2.7423 2.7669 2.8001 4.2820 4.2919 7.0072 7.1252 7.2049 7.2752 7.5753 7.6254 9.7308 9.7363 k = 0.2910 0.8400 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7597 -36.7597 -36.5408 -36.5408 -11.1787 -11.1787 -10.6869 -10.6868 -10.5753 -10.5741 -10.4705 -10.4703 -9.5611 -9.5608 -2.4127 -2.4104 -1.6422 -1.6068 -1.5508 -1.5233 -1.4053 -1.3557 -1.3208 -1.3178 -0.6049 -0.5762 0.3816 0.5542 0.7426 0.9616 1.3815 1.3835 1.5786 1.6645 1.7611 1.7939 1.8012 1.8787 2.6274 2.6319 2.7147 2.7363 2.7626 2.7944 4.2912 4.3012 6.9744 7.0943 7.1798 7.2551 7.5600 7.6066 9.7257 9.7311 k = 0.2974 0.8582 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7595 -36.7595 -36.5408 -36.5408 -11.1738 -11.1738 -10.6916 -10.6915 -10.5803 -10.5791 -10.4755 -10.4752 -9.5849 -9.5846 -2.3647 -2.3622 -1.6212 -1.5967 -1.5298 -1.5210 -1.4070 -1.3511 -1.2935 -1.2911 -0.5889 -0.5615 0.3898 0.5630 0.7472 0.9674 1.3751 1.3773 1.5672 1.6522 1.7454 1.8064 1.8165 1.8651 2.6307 2.6364 2.7120 2.7303 2.7578 2.7880 4.3002 4.3103 6.9371 7.0593 7.1506 7.2315 7.5447 7.5872 9.7173 9.7226 k = 0.3037 0.8765 0.0000 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7592 -36.7592 -36.5409 -36.5409 -11.1697 -11.1697 -10.6964 -10.6963 -10.5854 -10.5842 -10.4805 -10.4803 -9.6110 -9.6107 -2.3116 -2.3090 -1.5977 -1.5874 -1.5207 -1.5064 -1.4054 -1.3421 -1.2633 -1.2616 -0.5731 -0.5469 0.3979 0.5718 0.7509 0.9723 1.3704 1.3728 1.5564 1.6403 1.7298 1.8153 1.8331 1.8564 2.6333 2.6403 2.7096 2.7242 2.7526 2.7808 4.3089 4.3191 6.8958 7.0205 7.1170 7.2043 7.5298 7.5679 9.7055 9.7106 k = 0.3100 0.8948 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7590 -36.7590 -36.5409 -36.5409 -11.1663 -11.1663 -10.7013 -10.7012 -10.5906 -10.5895 -10.4857 -10.4855 -9.6392 -9.6389 -2.2545 -2.2516 -1.5797 -1.5717 -1.5223 -1.4806 -1.3997 -1.3287 -1.2297 -1.2286 -0.5574 -0.5324 0.4060 0.5807 0.7538 0.9763 1.3674 1.3701 1.5462 1.6289 1.7144 1.8131 1.8509 1.8600 2.6352 2.6437 2.7079 2.7181 2.7471 2.7729 4.3174 4.3277 6.8509 6.9783 7.0792 7.1731 7.5159 7.5494 9.6899 9.6949 k = 0.3100 0.8948 0.0000 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7590 -36.7590 -36.5409 -36.5409 -11.1663 -11.1663 -10.7013 -10.7012 -10.5906 -10.5895 -10.4857 -10.4855 -9.6392 -9.6389 -2.2545 -2.2516 -1.5797 -1.5717 -1.5223 -1.4806 -1.3997 -1.3287 -1.2297 -1.2286 -0.5574 -0.5324 0.4060 0.5807 0.7538 0.9763 1.3674 1.3701 1.5462 1.6289 1.7144 1.8131 1.8509 1.8600 2.6352 2.6437 2.7079 2.7181 2.7471 2.7729 4.3174 4.3277 6.8509 6.9783 7.0792 7.1731 7.5159 7.5494 9.6899 9.6949 k = 0.3080 0.8888 0.0182 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7591 -36.7591 -36.5409 -36.5409 -11.1676 -11.1675 -10.6997 -10.6995 -10.5888 -10.5876 -10.4839 -10.4837 -9.6298 -9.6294 -2.2737 -2.2703 -1.5849 -1.5778 -1.5229 -1.4880 -1.4020 -1.3341 -1.2422 -1.2369 -0.5629 -0.5375 0.4034 0.5779 0.7517 0.9738 1.3602 1.3693 1.5529 1.6357 1.7190 1.8101 1.8480 1.8664 2.6331 2.6420 2.7077 2.7208 2.7485 2.7752 4.3149 4.3252 6.8660 6.9920 7.0922 7.1838 7.5212 7.5564 9.6960 9.7011 k = 0.3059 0.8828 0.0365 ( 6247 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7591 -36.7591 -36.5409 -36.5409 -11.1694 -11.1691 -10.6978 -10.6977 -10.5869 -10.5856 -10.4821 -10.4818 -9.6206 -9.6201 -2.2926 -2.2880 -1.5948 -1.5796 -1.5275 -1.4919 -1.4034 -1.3399 -1.2526 -1.2427 -0.5691 -0.5431 0.4008 0.5750 0.7471 0.9685 1.3449 1.3603 1.5654 1.6464 1.7232 1.8007 1.8545 1.8853 2.6284 2.6386 2.7069 2.7239 2.7493 2.7765 4.3129 4.3230 6.8809 7.0046 7.1051 7.1944 7.5282 7.5657 9.7027 9.7082 k = 0.3038 0.8768 0.0547 ( 6252 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7592 -36.7592 -36.5409 -36.5409 -11.1716 -11.1712 -10.6959 -10.6957 -10.5849 -10.5835 -10.4801 -10.4798 -9.6116 -9.6109 -2.3108 -2.3049 -1.6055 -1.5814 -1.5360 -1.4929 -1.4039 -1.3459 -1.2602 -1.2463 -0.5759 -0.5492 0.3983 0.5721 0.7401 0.9607 1.3251 1.3441 1.5808 1.6561 1.7288 1.7915 1.8706 1.9101 2.6216 2.6333 2.7060 2.7260 2.7498 2.7770 4.3114 4.3214 6.8956 7.0160 7.1180 7.2048 7.5369 7.5769 9.7102 9.7160 k = 0.3018 0.8709 0.0730 ( 6266 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7593 -36.7593 -36.5409 -36.5409 -11.1741 -11.1736 -10.6938 -10.6935 -10.5829 -10.5814 -10.4781 -10.4778 -9.6028 -9.6019 -2.3282 -2.3213 -1.6165 -1.5837 -1.5464 -1.4931 -1.4030 -1.3513 -1.2653 -1.2479 -0.5831 -0.5558 0.3957 0.5691 0.7309 0.9504 1.3029 1.3235 1.5963 1.6610 1.7374 1.7851 1.8953 1.9391 2.6133 2.6259 2.7046 2.7261 2.7508 2.7767 4.3105 4.3203 6.9100 7.0263 7.1309 7.2152 7.5473 7.5897 9.7184 9.7247 k = 0.2997 0.8649 0.0912 ( 6271 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7594 -36.7594 -36.5409 -36.5409 -11.1768 -11.1763 -10.6915 -10.6912 -10.5809 -10.5793 -10.4761 -10.4758 -9.5942 -9.5931 -2.3450 -2.3371 -1.6276 -1.5872 -1.5573 -1.4943 -1.4007 -1.3554 -1.2680 -1.2479 -0.5906 -0.5627 0.3932 0.5660 0.7198 0.9378 1.2799 1.3008 1.6095 1.6611 1.7476 1.7824 1.9273 1.9715 2.6034 2.6165 2.7026 2.7239 2.7529 2.7760 4.3102 4.3198 6.9242 7.0357 7.1438 7.2257 7.5591 7.6038 9.7274 9.7342 k = 0.2976 0.8589 0.1095 ( 6273 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7595 -36.7595 -36.5409 -36.5409 -11.1797 -11.1791 -10.6891 -10.6888 -10.5790 -10.5773 -10.4741 -10.4738 -9.5858 -9.5845 -2.3609 -2.3523 -1.6385 -1.5927 -1.5672 -1.4970 -1.3970 -1.3576 -1.2688 -1.2465 -0.5982 -0.5699 0.3906 0.5626 0.7073 0.9234 1.2570 1.2773 1.6194 1.6583 1.7573 1.7833 1.9650 2.0070 2.5921 2.6052 2.6997 2.7195 2.7560 2.7753 4.3105 4.3198 6.9381 7.0441 7.1568 7.2362 7.5722 7.6190 9.7372 9.7444 k = 0.2955 0.8529 0.1277 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7596 -36.7596 -36.5409 -36.5409 -11.1827 -11.1821 -10.6866 -10.6862 -10.5773 -10.5755 -10.4721 -10.4718 -9.5776 -9.5762 -2.3761 -2.3670 -1.6492 -1.6007 -1.5749 -1.5015 -1.3920 -1.3575 -1.2680 -1.2440 -0.6059 -0.5774 0.3879 0.5589 0.6938 0.9072 1.2351 1.2544 1.6257 1.6544 1.7649 1.7870 2.0069 2.0449 2.5792 2.5920 2.6959 2.7137 2.7599 2.7751 4.3113 4.3203 6.9517 7.0518 7.1698 7.2467 7.5866 7.6349 9.7477 9.7553 k = 0.2935 0.8470 0.1460 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7596 -36.7596 -36.5409 -36.5409 -11.1858 -11.1851 -10.6839 -10.6835 -10.5757 -10.5738 -10.4701 -10.4698 -9.5696 -9.5682 -2.3906 -2.3812 -1.6595 -1.6109 -1.5804 -1.5074 -1.3863 -1.3552 -1.2659 -1.2407 -0.6136 -0.5852 0.3851 0.5545 0.6796 0.8898 1.2147 1.2328 1.6292 1.6502 1.7707 1.7915 2.0514 2.0845 2.5645 2.5770 2.6913 2.7070 2.7643 2.7756 4.3127 4.3214 6.9650 7.0589 7.1829 7.2571 7.6019 7.6514 9.7589 9.7667 k = 0.2914 0.8410 0.1642 ( 6276 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7597 -36.7597 -36.5409 -36.5409 -11.1888 -11.1881 -10.6811 -10.6806 -10.5743 -10.5724 -10.4683 -10.4680 -9.5620 -9.5604 -2.4044 -2.3950 -1.6691 -1.6220 -1.5846 -1.5142 -1.3803 -1.3509 -1.2630 -1.2366 -0.6212 -0.5932 0.3823 0.5494 0.6653 0.8713 1.1965 1.2132 1.6306 1.6463 1.7746 1.7952 2.0970 2.1247 2.5481 2.5605 2.6864 2.7002 2.7692 2.7769 4.3146 4.3228 6.9779 7.0654 7.1960 7.2674 7.6179 7.6683 9.7707 9.7787 k = 0.2893 0.8350 0.1825 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7598 -36.7597 -36.5409 -36.5408 -11.1917 -11.1910 -10.6782 -10.6777 -10.5731 -10.5713 -10.4665 -10.4663 -9.5546 -9.5530 -2.4176 -2.4083 -1.6779 -1.6332 -1.5880 -1.5216 -1.3743 -1.3451 -1.2595 -1.2321 -0.6286 -0.6013 0.3793 0.5431 0.6514 0.8520 1.1808 1.1961 1.6306 1.6427 1.7768 1.7975 2.1421 2.1642 2.5300 2.5434 2.6814 2.6937 2.7744 2.7792 4.3168 4.3246 6.9906 7.0715 7.2090 7.2774 7.6346 7.6853 9.7830 9.7912 k = 0.2873 0.8290 0.2007 ( 6278 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7598 -36.7598 -36.5409 -36.5409 -11.1944 -11.1938 -10.6752 -10.6747 -10.5721 -10.5704 -10.4650 -10.4647 -9.5474 -9.5458 -2.4301 -2.4212 -1.6856 -1.6438 -1.5909 -1.5291 -1.3686 -1.3382 -1.2557 -1.2272 -0.6358 -0.6094 0.3762 0.5355 0.6383 0.8321 1.1681 1.1821 1.6299 1.6395 1.7769 1.7977 2.1846 2.2012 2.5112 2.5271 2.6768 2.6879 2.7797 2.7826 4.3193 4.3267 7.0030 7.0772 7.2219 7.2873 7.6516 7.7022 9.7957 9.8040 k = 0.2852 0.8231 0.2190 ( 6278 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7599 -36.7599 -36.5408 -36.5408 -11.1970 -11.1964 -10.6721 -10.6716 -10.5713 -10.5697 -10.4636 -10.4633 -9.5406 -9.5390 -2.4420 -2.4337 -1.6922 -1.6535 -1.5935 -1.5364 -1.3633 -1.3306 -1.2519 -1.2222 -0.6426 -0.6175 0.3730 0.5264 0.6265 0.8120 1.1587 1.1715 1.6289 1.6368 1.7749 1.7959 2.2209 2.2337 2.4937 2.5141 2.6726 2.6832 2.7845 2.7874 4.3221 4.3290 7.0149 7.0826 7.2346 7.2968 7.6687 7.7189 9.8087 9.8171 k = 0.2831 0.8171 0.2372 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7599 -36.7599 -36.5408 -36.5408 -11.1994 -11.1988 -10.6690 -10.6685 -10.5707 -10.5692 -10.4624 -10.4622 -9.5342 -9.5326 -2.4533 -2.4457 -1.6975 -1.6619 -1.5956 -1.5434 -1.3586 -1.3227 -1.2485 -1.2171 -0.6490 -0.6254 0.3698 0.5158 0.6161 0.7918 1.1528 1.1647 1.6277 1.6345 1.7708 1.7919 2.2447 2.2592 2.4817 2.5080 2.6691 2.6797 2.7892 2.7934 4.3251 4.3314 7.0266 7.0877 7.2471 7.3061 7.6858 7.7353 9.8220 9.8304 k = 0.2811 0.8111 0.2555 ( 6271 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7600 -36.7600 -36.5408 -36.5408 -11.2016 -11.2010 -10.6660 -10.6655 -10.5703 -10.5689 -10.4614 -10.4612 -9.5280 -9.5265 -2.4641 -2.4572 -1.7015 -1.6690 -1.5974 -1.5500 -1.3544 -1.3149 -1.2457 -1.2121 -0.6549 -0.6330 0.3665 0.5039 0.6070 0.7716 1.1506 1.1619 1.6266 1.6326 1.7647 1.7860 2.2518 2.2718 2.4808 2.5126 2.6663 2.6776 2.7942 2.7999 4.3281 4.3339 7.0378 7.0926 7.2593 7.3149 7.7026 7.7511 9.8355 9.8438 k = 0.2790 0.8051 0.2737 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7600 -36.7600 -36.5408 -36.5408 -11.2035 -11.2029 -10.6629 -10.6624 -10.5701 -10.5688 -10.4607 -10.4605 -9.5222 -9.5208 -2.4743 -2.4683 -1.7039 -1.6747 -1.5989 -1.5561 -1.3509 -1.3073 -1.2438 -1.2072 -0.6602 -0.6401 0.3633 0.4911 0.5991 0.7516 1.1522 1.1634 1.6255 1.6311 1.7570 1.7784 2.2424 2.2665 2.4946 2.5286 2.6643 2.6769 2.7994 2.8066 4.3311 4.3363 7.0485 7.0972 7.2711 7.3233 7.7191 7.7662 9.8489 9.8573 k = 0.2769 0.7992 0.2920 ( 6269 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7601 -36.7601 -36.5408 -36.5408 -11.2051 -11.2046 -10.6599 -10.6594 -10.5700 -10.5688 -10.4603 -10.4601 -9.5168 -9.5155 -2.4840 -2.4790 -1.7049 -1.6789 -1.5999 -1.5617 -1.3481 -1.3002 -1.2428 -1.2027 -0.6650 -0.6468 0.3603 0.4779 0.5922 0.7320 1.1577 1.1691 1.6245 1.6298 1.7477 1.7691 2.2199 2.2455 2.5195 2.5532 2.6630 2.6779 2.8050 2.8133 4.3341 4.3387 7.0588 7.1015 7.2825 7.3313 7.7351 7.7806 9.8623 9.8706 k = 0.2748 0.7932 0.3102 ( 6277 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7601 -36.7601 -36.5408 -36.5408 -11.2064 -11.2060 -10.6570 -10.6565 -10.5700 -10.5689 -10.4601 -10.4599 -9.5117 -9.5105 -2.4932 -2.4891 -1.7046 -1.6815 -1.6006 -1.5667 -1.3461 -1.2939 -1.2426 -1.1988 -0.6693 -0.6528 0.3577 0.4647 0.5860 0.7128 1.1669 1.1790 1.6237 1.6289 1.7372 1.7587 2.1884 2.2143 2.5496 2.5823 2.6626 2.6810 2.8106 2.8200 4.3369 4.3410 7.0685 7.1057 7.2935 7.3387 7.7503 7.7939 9.8756 9.8837 k = 0.2728 0.7872 0.3284 ( 6285 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7602 -36.7602 -36.5408 -36.5408 -11.2074 -11.2071 -10.6542 -10.6538 -10.5700 -10.5691 -10.4602 -10.4600 -9.5070 -9.5060 -2.5019 -2.4986 -1.7028 -1.6828 -1.6009 -1.5712 -1.3449 -1.2888 -1.2429 -1.1954 -0.6731 -0.6581 0.3556 0.4519 0.5804 0.6942 1.1799 1.1929 1.6230 1.6283 1.7259 1.7473 2.1507 2.1768 2.5800 2.6127 2.6632 2.6870 2.8163 2.8264 4.3396 4.3432 7.0777 7.1095 7.3039 7.3456 7.7648 7.8063 9.8885 9.8966 k = 0.2707 0.7812 0.3467 ( 6279 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7602 -36.7602 -36.5408 -36.5408 -11.2082 -11.2080 -10.6516 -10.6512 -10.5700 -10.5693 -10.4605 -10.4603 -9.5027 -9.5018 -2.5100 -2.5075 -1.6999 -1.6828 -1.6008 -1.5751 -1.3443 -1.2856 -1.2430 -1.1928 -0.6763 -0.6627 0.3542 0.4397 0.5756 0.6763 1.1965 1.2105 1.6225 1.6280 1.7141 1.7355 2.1089 2.1351 2.6065 2.6409 2.6664 2.6973 2.8219 2.8325 4.3422 4.3452 7.0863 7.1131 7.3138 7.3520 7.7785 7.8175 9.9011 9.9090 k = 0.2686 0.7753 0.3649 ( 6277 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7602 -36.7602 -36.5408 -36.5408 -11.2088 -11.2086 -10.6492 -10.6489 -10.5701 -10.5695 -10.4610 -10.4608 -9.4988 -9.4981 -2.5175 -2.5158 -1.6960 -1.6816 -1.6004 -1.5785 -1.3442 -1.2848 -1.2421 -1.1910 -0.6792 -0.6667 0.3535 0.4283 0.5714 0.6592 1.2164 1.2314 1.6220 1.6280 1.7020 1.7236 2.0643 2.0907 2.6265 2.6570 2.6813 2.7130 2.8273 2.8382 4.3445 4.3471 7.0941 7.1165 7.3231 7.3577 7.7912 7.8275 9.9133 9.9209 k = 0.2666 0.7693 0.3832 ( 6273 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7602 -36.7602 -36.5408 -36.5408 -11.2091 -11.2089 -10.6471 -10.6468 -10.5701 -10.5696 -10.4617 -10.4614 -9.4953 -9.4947 -2.5244 -2.5233 -1.6912 -1.6795 -1.5997 -1.5814 -1.3447 -1.2869 -1.2399 -1.1900 -0.6816 -0.6701 0.3537 0.4178 0.5680 0.6432 1.2394 1.2552 1.6217 1.6283 1.6902 1.7121 2.0179 2.0444 2.6397 2.6612 2.7071 2.7328 2.8325 2.8434 4.3467 4.3488 7.1013 7.1195 7.3317 7.3627 7.8029 7.8362 9.9248 9.9321 k = 0.2645 0.7633 0.4014 ( 6279 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2092 -11.2091 -10.6452 -10.6449 -10.5702 -10.5698 -10.4625 -10.4623 -9.4923 -9.4918 -2.5307 -2.5301 -1.6860 -1.6768 -1.5987 -1.5836 -1.3454 -1.2913 -1.2363 -1.1897 -0.6836 -0.6731 0.3547 0.4083 0.5654 0.6282 1.2649 1.2815 1.6214 1.6290 1.6789 1.7013 1.9703 1.9971 2.6483 2.6634 2.7330 2.7539 2.8374 2.8479 4.3486 4.3503 7.1078 7.1222 7.3396 7.3671 7.8135 7.8435 9.9356 9.9425 k = 0.2624 0.7574 0.4197 ( 6274 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2091 -11.2091 -10.6436 -10.6434 -10.5701 -10.5699 -10.4633 -10.4631 -9.4896 -9.4892 -2.5364 -2.5361 -1.6806 -1.6737 -1.5975 -1.5853 -1.3461 -1.2974 -1.2320 -1.1901 -0.6852 -0.6757 0.3564 0.3999 0.5637 0.6145 1.2926 1.3095 1.6210 1.6301 1.6686 1.6920 1.9225 1.9493 2.6543 2.6653 2.7568 2.7739 2.8421 2.8518 4.3503 4.3517 7.1134 7.1246 7.3468 7.3706 7.8231 7.8496 9.9456 9.9519 k = 0.2604 0.7514 0.4379 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2089 -11.2089 -10.6423 -10.6421 -10.5701 -10.5699 -10.4642 -10.4641 -9.4873 -9.4871 -2.5414 -2.5410 -1.6755 -1.6704 -1.5962 -1.5865 -1.3466 -1.3044 -1.2273 -1.1912 -0.6864 -0.6780 0.3588 0.3924 0.5629 0.6023 1.3217 1.3384 1.6207 1.6315 1.6595 1.6844 1.8752 1.9020 2.6589 2.6670 2.7775 2.7911 2.8469 2.8552 4.3519 4.3529 7.1183 7.1266 7.3533 7.3734 7.8317 7.8543 9.9546 9.9602 k = 0.2583 0.7454 0.4562 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2087 -11.2086 -10.6412 -10.6411 -10.5700 -10.5699 -10.4651 -10.4649 -9.4855 -9.4853 -2.5457 -2.5452 -1.6708 -1.6673 -1.5948 -1.5872 -1.3466 -1.3118 -1.2226 -1.1929 -0.6872 -0.6801 0.3615 0.3860 0.5630 0.5917 1.3513 1.3672 1.6205 1.6333 1.6522 1.6788 1.8297 1.8562 2.6625 2.6685 2.7946 2.8047 2.8517 2.8582 4.3532 4.3539 7.1224 7.1283 7.3591 7.3753 7.8391 7.8576 9.9624 9.9672 k = 0.2562 0.7394 0.4744 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2084 -11.2083 -10.6405 -10.6404 -10.5699 -10.5699 -10.4658 -10.4657 -9.4841 -9.4840 -2.5490 -2.5485 -1.6670 -1.6646 -1.5934 -1.5877 -1.3458 -1.3190 -1.2178 -1.1952 -0.6876 -0.6820 0.3644 0.3807 0.5638 0.5830 1.3800 1.3942 1.6206 1.6348 1.6474 1.6754 1.7877 1.8133 2.6655 2.6698 2.8077 2.8144 2.8565 2.8608 4.3542 4.3548 7.1256 7.1295 7.3640 7.3764 7.8454 7.8596 9.9689 9.9727 k = 0.2541 0.7335 0.4927 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2081 -11.2080 -10.6400 -10.6399 -10.5699 -10.5698 -10.4664 -10.4663 -9.4831 -9.4830 -2.5514 -2.5509 -1.6642 -1.6626 -1.5919 -1.5881 -1.3440 -1.3258 -1.2133 -1.1980 -0.6876 -0.6838 0.3671 0.3764 0.5651 0.5762 1.4057 1.4169 1.6216 1.6342 1.6473 1.6730 1.7527 1.7757 2.6679 2.6707 2.8165 2.8206 2.8607 2.8632 4.3550 4.3554 7.1280 7.1303 7.3682 7.3765 7.8506 7.8602 9.9739 9.9766 k = 0.2521 0.7275 0.5109 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5407 -36.5407 -11.2079 -11.2078 -10.6397 -10.6397 -10.5698 -10.5698 -10.4668 -10.4667 -9.4825 -9.4825 -2.5527 -2.5525 -1.6623 -1.6615 -1.5906 -1.5887 -1.3410 -1.3318 -1.2090 -1.2013 -0.6872 -0.6852 0.3695 0.3733 0.5668 0.5714 1.4254 1.4317 1.6238 1.6312 1.6521 1.6686 1.7315 1.7466 2.6696 2.6710 2.8216 2.8236 2.8637 2.8650 4.3556 4.3558 7.1296 7.1306 7.3715 7.3757 7.8547 7.8596 9.9773 9.9787 k = 0.2500 0.7215 0.5292 ( 6276 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2078 -11.2078 -10.6396 -10.6396 -10.5698 -10.5698 -10.4669 -10.4669 -9.4823 -9.4823 -2.5531 -2.5531 -1.6614 -1.6614 -1.5895 -1.5895 -1.3369 -1.3369 -1.2049 -1.2049 -0.6864 -0.6864 0.3712 0.3712 0.5686 0.5686 1.4350 1.4350 1.6273 1.6273 1.6600 1.6600 1.7304 1.7304 2.6707 2.6707 2.8238 2.8238 2.8652 2.8652 4.3558 4.3558 7.1304 7.1304 7.3741 7.3741 7.8577 7.8577 9.9790 9.9790 k = 0.2500 0.7215 0.5292 ( 6276 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2078 -11.2078 -10.6396 -10.6396 -10.5698 -10.5698 -10.4669 -10.4669 -9.4823 -9.4823 -2.5531 -2.5531 -1.6614 -1.6614 -1.5895 -1.5895 -1.3369 -1.3369 -1.2049 -1.2049 -0.6864 -0.6864 0.3712 0.3712 0.5686 0.5686 1.4350 1.4350 1.6273 1.6273 1.6600 1.6600 1.7304 1.7304 2.6707 2.6707 2.8238 2.8238 2.8652 2.8652 4.3558 4.3558 7.1304 7.1304 7.3741 7.3741 7.8577 7.8577 9.9790 9.9790 k = 0.2375 0.7258 0.5159 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7604 -36.7604 -36.5407 -36.5407 -11.2079 -11.2078 -10.6397 -10.6397 -10.5698 -10.5697 -10.4668 -10.4668 -9.4823 -9.4823 -2.5532 -2.5529 -1.6626 -1.6616 -1.5908 -1.5888 -1.3411 -1.3317 -1.2091 -1.2012 -0.6873 -0.6852 0.3713 0.3719 0.5686 0.5692 1.4248 1.4313 1.6212 1.6346 1.6512 1.6703 1.7312 1.7462 2.6696 2.6710 2.8218 2.8237 2.8635 2.8648 4.3556 4.3558 7.1299 7.1309 7.3717 7.3761 7.8547 7.8597 9.9774 9.9788 k = 0.2250 0.7302 0.5027 ( 6266 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5407 -36.5407 -11.2081 -11.2080 -10.6399 -10.6399 -10.5695 -10.5694 -10.4666 -10.4665 -9.4822 -9.4822 -2.5533 -2.5526 -1.6651 -1.6629 -1.5926 -1.5888 -1.3442 -1.3256 -1.2135 -1.1979 -0.6879 -0.6838 0.3718 0.3733 0.5688 0.5709 1.4037 1.4154 1.6090 1.6356 1.6563 1.6865 1.7485 1.7719 2.6677 2.6705 2.8175 2.8215 2.8597 2.8623 4.3550 4.3554 7.1293 7.1314 7.3690 7.3777 7.8506 7.8606 9.9741 9.9769 k = 0.2125 0.7345 0.4895 ( 6262 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2084 -11.2083 -10.6403 -10.6402 -10.5692 -10.5690 -10.4662 -10.4661 -9.4822 -9.4822 -2.5533 -2.5523 -1.6691 -1.6653 -1.5950 -1.5894 -1.3461 -1.3190 -1.2181 -1.1950 -0.6881 -0.6821 0.3724 0.3756 0.5692 0.5736 1.3762 1.3915 1.5952 1.6223 1.6813 1.7090 1.7752 1.8031 2.6649 2.6693 2.8110 2.8172 2.8537 2.8580 4.3541 4.3546 7.1287 7.1319 7.3661 7.3789 7.8456 7.8604 9.9692 9.9734 k = 0.2000 0.7388 0.4762 ( 6262 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2088 -11.2087 -10.6408 -10.6407 -10.5687 -10.5685 -10.4657 -10.4656 -9.4822 -9.4822 -2.5532 -2.5520 -1.6744 -1.6685 -1.5979 -1.5907 -1.3468 -1.3119 -1.2228 -1.1925 -0.6879 -0.6800 0.3731 0.3783 0.5699 0.5774 1.3456 1.3633 1.5823 1.6090 1.7105 1.7356 1.8073 1.8378 2.6614 2.6673 2.8021 2.8107 2.8457 2.8519 4.3529 4.3536 7.1281 7.1323 7.3630 7.3797 7.8398 7.8591 9.9630 9.9683 k = 0.1875 0.7432 0.4630 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2093 -11.2091 -10.6413 -10.6412 -10.5681 -10.5678 -10.4650 -10.4649 -9.4822 -9.4822 -2.5530 -2.5516 -1.6807 -1.6726 -1.6014 -1.5925 -1.3464 -1.3048 -1.2274 -1.1905 -0.6872 -0.6777 0.3736 0.3812 0.5709 0.5821 1.3141 1.3331 1.5711 1.5973 1.7419 1.7648 1.8426 1.8749 2.6571 2.6645 2.7907 2.8019 2.8358 2.8442 4.3514 4.3523 7.1275 7.1327 7.3597 7.3801 7.8334 7.8567 9.9557 9.9620 k = 0.1750 0.7475 0.4498 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2099 -11.2097 -10.6420 -10.6419 -10.5674 -10.5671 -10.4643 -10.4641 -9.4821 -9.4821 -2.5528 -2.5511 -1.6877 -1.6775 -1.6052 -1.5947 -1.3452 -1.2978 -1.2316 -1.1889 -0.6860 -0.6751 0.3737 0.3841 0.5722 0.5876 1.2829 1.3025 1.5619 1.5876 1.7745 1.7957 1.8801 1.9134 2.6519 2.6611 2.7768 2.7908 2.8243 2.8350 4.3498 4.3508 7.1268 7.1331 7.3564 7.3799 7.8265 7.8534 9.9475 9.9547 k = 0.1625 0.7518 0.4366 ( 6258 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2106 -11.2104 -10.6427 -10.6426 -10.5667 -10.5664 -10.4634 -10.4632 -9.4821 -9.4821 -2.5525 -2.5507 -1.6953 -1.6831 -1.6095 -1.5974 -1.3431 -1.2915 -1.2351 -1.1876 -0.6843 -0.6722 0.3734 0.3866 0.5738 0.5935 1.2528 1.2724 1.5549 1.5799 1.8082 1.8279 1.9190 1.9529 2.6459 2.6569 2.7605 2.7775 2.8114 2.8245 4.3480 4.3491 7.1262 7.1334 7.3530 7.3793 7.8193 7.8492 9.9389 9.9466 k = 0.1500 0.7562 0.4233 ( 6260 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2113 -11.2111 -10.6435 -10.6433 -10.5659 -10.5656 -10.4624 -10.4622 -9.4821 -9.4820 -2.5522 -2.5502 -1.7031 -1.6893 -1.6139 -1.6003 -1.3405 -1.2864 -1.2374 -1.1868 -0.6820 -0.6690 0.3726 0.3885 0.5756 0.5996 1.2245 1.2437 1.5499 1.5742 1.8427 1.8611 1.9587 1.9929 2.6389 2.6520 2.7419 2.7619 2.7973 2.8128 4.3460 4.3472 7.1256 7.1337 7.3497 7.3782 7.8120 7.8442 9.9300 9.9381 k = 0.1375 0.7605 0.4101 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2121 -11.2118 -10.6442 -10.6441 -10.5651 -10.5648 -10.4614 -10.4612 -9.4820 -9.4820 -2.5518 -2.5498 -1.7110 -1.6960 -1.6183 -1.6035 -1.3375 -1.2830 -1.2381 -1.1862 -0.6792 -0.6656 0.3715 0.3897 0.5775 0.6052 1.1983 1.2169 1.5470 1.5704 1.8779 1.8950 1.9988 2.0329 2.6307 2.6460 2.7214 2.7443 2.7823 2.7999 4.3440 4.3452 7.1250 7.1339 7.3466 7.3766 7.8049 7.8386 9.9211 9.9294 k = 0.1250 0.7648 0.3969 ( 6274 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2129 -11.2126 -10.6450 -10.6448 -10.5643 -10.5640 -10.4603 -10.4601 -9.4820 -9.4819 -2.5514 -2.5493 -1.7187 -1.7031 -1.6226 -1.6070 -1.3343 -1.2816 -1.2367 -1.1858 -0.6759 -0.6620 0.3700 0.3901 0.5793 0.6101 1.1747 1.1924 1.5460 1.5683 1.9137 1.9296 2.0388 2.0727 2.6208 2.6387 2.6994 2.7253 2.7666 2.7860 4.3419 4.3432 7.1245 7.1339 7.3437 7.3746 7.7980 7.8325 9.9125 9.9208 k = 0.1125 0.7692 0.3836 ( 6280 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2136 -11.2134 -10.6457 -10.6456 -10.5636 -10.5632 -10.4592 -10.4590 -9.4819 -9.4819 -2.5510 -2.5489 -1.7261 -1.7104 -1.6265 -1.6105 -1.3310 -1.2821 -1.2336 -1.1857 -0.6721 -0.6584 0.3685 0.3898 0.5808 0.6138 1.1539 1.1704 1.5467 1.5677 1.9500 1.9645 2.0783 2.1120 2.6086 2.6293 2.6770 2.7054 2.7505 2.7713 4.3399 4.3411 7.1241 7.1339 7.3411 7.3721 7.7917 7.8261 9.9044 9.9125 k = 0.1000 0.7735 0.3704 ( 6284 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2144 -11.2141 -10.6464 -10.6462 -10.5629 -10.5626 -10.4582 -10.4580 -9.4819 -9.4819 -2.5505 -2.5485 -1.7330 -1.7178 -1.6300 -1.6142 -1.3278 -1.2838 -1.2294 -1.1859 -0.6681 -0.6548 0.3669 0.3888 0.5819 0.6160 1.1360 1.1512 1.5488 1.5684 1.9866 1.9998 2.1172 2.1507 2.5932 2.6166 2.6555 2.6854 2.7346 2.7563 4.3380 4.3392 7.1239 7.1337 7.3389 7.3693 7.7860 7.8194 9.8970 9.9046 k = 0.0875 0.7778 0.3572 ( 6288 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2151 -11.2148 -10.6470 -10.6469 -10.5622 -10.5619 -10.4572 -10.4570 -9.4818 -9.4818 -2.5501 -2.5482 -1.7392 -1.7249 -1.6330 -1.6179 -1.3246 -1.2863 -1.2246 -1.1862 -0.6639 -0.6513 0.3656 0.3873 0.5827 0.6166 1.1210 1.1347 1.5521 1.5700 2.0232 2.0351 2.1549 2.1885 2.5735 2.5996 2.6363 2.6659 2.7197 2.7414 4.3362 4.3373 7.1238 7.1334 7.3373 7.3661 7.7811 7.8127 9.8903 9.8974 k = 0.0750 0.7821 0.3440 ( 6290 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2157 -11.2155 -10.6476 -10.6475 -10.5616 -10.5614 -10.4562 -10.4561 -9.4818 -9.4818 -2.5496 -2.5479 -1.7447 -1.7317 -1.6355 -1.6215 -1.3215 -1.2891 -1.2197 -1.1868 -0.6596 -0.6481 0.3647 0.3852 0.5833 0.6156 1.1088 1.1208 1.5563 1.5722 2.0593 2.0702 2.1910 2.2254 2.5492 2.5787 2.6189 2.6470 2.7067 2.7271 4.3346 4.3356 7.1238 7.1329 7.3361 7.3627 7.7772 7.8061 9.8844 9.8908 k = 0.0625 0.7865 0.3307 ( 6288 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2163 -11.2161 -10.6481 -10.6480 -10.5611 -10.5609 -10.4554 -10.4552 -9.4818 -9.4817 -2.5492 -2.5477 -1.7493 -1.7380 -1.6373 -1.6249 -1.3186 -1.2919 -1.2149 -1.1876 -0.6554 -0.6454 0.3641 0.3829 0.5838 0.6132 1.0992 1.1095 1.5609 1.5746 2.0944 2.1047 2.2250 2.2612 2.5212 2.5558 2.6018 2.6284 2.6961 2.7142 4.3332 4.3340 7.1241 7.1322 7.3356 7.3591 7.7743 7.7997 9.8795 9.8851 k = 0.0500 0.7908 0.3175 ( 6278 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2168 -11.2166 -10.6485 -10.6484 -10.5607 -10.5605 -10.4547 -10.4545 -9.4817 -9.4817 -2.5488 -2.5475 -1.7530 -1.7436 -1.6385 -1.6282 -1.3158 -1.2948 -1.2104 -1.1887 -0.6515 -0.6432 0.3642 0.3803 0.5845 0.6097 1.0921 1.1005 1.5656 1.5769 2.1277 2.1381 2.2562 2.2956 2.4910 2.5320 2.5844 2.6099 2.6884 2.7032 4.3320 4.3327 7.1245 7.1315 7.3357 7.3554 7.7725 7.7937 9.8756 9.8802 k = 0.0375 0.7951 0.3043 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2171 -11.2170 -10.6488 -10.6487 -10.5603 -10.5602 -10.4541 -10.4540 -9.4817 -9.4817 -2.5484 -2.5474 -1.7556 -1.7484 -1.6392 -1.6311 -1.3132 -1.2976 -1.2062 -1.1900 -0.6480 -0.6416 0.3647 0.3775 0.5856 0.6056 1.0872 1.0935 1.5700 1.5787 2.1582 2.1689 2.2838 2.3281 2.4603 2.5081 2.5678 2.5916 2.6832 2.6942 4.3311 4.3316 7.1251 7.1306 7.3364 7.3517 7.7717 7.7882 9.8727 9.8762 k = 0.0250 0.7995 0.2910 ( 6284 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2174 -11.2173 -10.6490 -10.6490 -10.5601 -10.5600 -10.4536 -10.4536 -9.4817 -9.4817 -2.5481 -2.5474 -1.7572 -1.7523 -1.6392 -1.6337 -1.3106 -1.3003 -1.2025 -1.1917 -0.6451 -0.6407 0.3659 0.3748 0.5873 0.6012 1.0841 1.0884 1.5739 1.5798 2.1844 2.1944 2.3081 2.3565 2.4322 2.4843 2.5547 2.5745 2.6802 2.6875 4.3304 4.3308 7.1258 7.1296 7.3377 7.3482 7.7721 7.7833 9.8708 9.8732 k = 0.0125 0.8038 0.2778 ( 6280 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2176 -11.2175 -10.6491 -10.6491 -10.5599 -10.5599 -10.4534 -10.4533 -9.4817 -9.4817 -2.5478 -2.5475 -1.7576 -1.7552 -1.6386 -1.6358 -1.3080 -1.3029 -1.1992 -1.1938 -0.6428 -0.6406 0.3675 0.3721 0.5898 0.5969 1.0828 1.0850 1.5770 1.5799 2.2040 2.2106 2.3305 2.3687 2.4199 2.4601 2.5484 2.5600 2.6792 2.6828 4.3301 4.3303 7.1266 7.1286 7.3396 7.3450 7.7735 7.7792 9.8699 9.8711 k = 0.0000 0.8081 0.2646 ( 6280 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2176 -11.2176 -10.6492 -10.6492 -10.5599 -10.5599 -10.4533 -10.4533 -9.4817 -9.4817 -2.5476 -2.5476 -1.7570 -1.7570 -1.6375 -1.6375 -1.3055 -1.3055 -1.1963 -1.1963 -0.6413 -0.6413 0.3696 0.3696 0.5930 0.5930 1.0831 1.0831 1.5790 1.5790 2.2137 2.2137 2.3530 2.3530 2.4361 2.4361 2.5504 2.5504 2.6801 2.6801 4.3300 4.3300 7.1276 7.1276 7.3421 7.3421 7.7759 7.7759 9.8700 9.8700 k = 0.0000 0.8081 0.2646 ( 6280 PWs) bands (ev): -77.5617 -77.5617 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2176 -11.2176 -10.6492 -10.6492 -10.5599 -10.5599 -10.4533 -10.4533 -9.4817 -9.4817 -2.5476 -2.5476 -1.7570 -1.7570 -1.6375 -1.6375 -1.3055 -1.3055 -1.1963 -1.1963 -0.6413 -0.6413 0.3696 0.3696 0.5930 0.5930 1.0831 1.0831 1.5790 1.5790 2.2137 2.2137 2.3530 2.3530 2.4361 2.4361 2.5504 2.5504 2.6801 2.6801 4.3300 4.3300 7.1276 7.1276 7.3421 7.3421 7.7759 7.7759 9.8700 9.8700 k =-0.0141 0.8042 0.2766 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2175 -11.2174 -10.6494 -10.6494 -10.5600 -10.5597 -10.4533 -10.4533 -9.4821 -9.4819 -2.5475 -2.5465 -1.7587 -1.7539 -1.6395 -1.6345 -1.3070 -1.3047 -1.1999 -1.1943 -0.6435 -0.6391 0.3613 0.3803 0.5829 0.6053 1.0830 1.0847 1.5779 1.5803 2.2092 2.2114 2.3449 2.3550 2.4336 2.4413 2.5503 2.5551 2.6808 2.6818 4.3294 4.3302 7.1236 7.1306 7.3384 7.3447 7.7723 7.7775 9.8687 9.8697 k =-0.0282 0.8003 0.2886 ( 6273 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7603 -36.7603 -36.5408 -36.5408 -11.2170 -11.2168 -10.6502 -10.6501 -10.5602 -10.5597 -10.4536 -10.4535 -9.4833 -9.4830 -2.5461 -2.5440 -1.7591 -1.7496 -1.6406 -1.6306 -1.3093 -1.3048 -1.2049 -1.1938 -0.6456 -0.6367 0.3552 0.3931 0.5750 0.6198 1.0842 1.0877 1.5769 1.5818 2.1984 2.2028 2.3316 2.3490 2.4356 2.4489 2.5542 2.5636 2.6839 2.6859 4.3284 4.3299 7.1187 7.1327 7.3335 7.3461 7.7670 7.7773 9.8658 9.8678 k =-0.0423 0.7963 0.3007 ( 6268 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5408 -36.5407 -11.2161 -11.2159 -10.6513 -10.6512 -10.5604 -10.5596 -10.4539 -10.4538 -9.4853 -9.4847 -2.5434 -2.5403 -1.7582 -1.7440 -1.6407 -1.6258 -1.3122 -1.3056 -1.2115 -1.1949 -0.6473 -0.6344 0.3512 0.4081 0.5693 0.6364 1.0869 1.0922 1.5762 1.5834 2.1824 2.1890 2.3131 2.3348 2.4428 2.4592 2.5608 2.5745 2.6892 2.6919 4.3270 4.3293 7.1130 7.1340 7.3275 7.3463 7.7598 7.7752 9.8615 9.8645 k =-0.0564 0.7924 0.3127 ( 6262 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2149 -11.2146 -10.6529 -10.6527 -10.5607 -10.5597 -10.4544 -10.4543 -9.4879 -9.4872 -2.5395 -2.5354 -1.7561 -1.7372 -1.6399 -1.6200 -1.3159 -1.3072 -1.2192 -1.1974 -0.6487 -0.6319 0.3491 0.4248 0.5657 0.6550 1.0911 1.0980 1.5758 1.5853 2.1621 2.1716 2.2896 2.3148 2.4534 2.4720 2.5693 2.5868 2.6962 2.6993 4.3252 4.3282 7.1063 7.1342 7.3204 7.3452 7.7510 7.7713 9.8558 9.8597 k =-0.0705 0.7884 0.3247 ( 6259 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5407 -36.5407 -11.2134 -11.2130 -10.6549 -10.6546 -10.5610 -10.5599 -10.4551 -10.4549 -9.4913 -9.4904 -2.5342 -2.5292 -1.7527 -1.7293 -1.6383 -1.6133 -1.3201 -1.3097 -1.2280 -1.2011 -0.6495 -0.6293 0.3486 0.4429 0.5642 0.6755 1.0968 1.1054 1.5758 1.5874 2.1386 2.1515 2.2621 2.2910 2.4660 2.4865 2.5789 2.5996 2.7043 2.7077 4.3232 4.3269 7.0987 7.1336 7.3123 7.3430 7.7406 7.7656 9.8489 9.8536 k =-0.0846 0.7845 0.3367 ( 6260 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5407 -36.5407 -11.2115 -11.2110 -10.6571 -10.6568 -10.5615 -10.5601 -10.4558 -10.4556 -9.4954 -9.4943 -2.5276 -2.5218 -1.7481 -1.7202 -1.6359 -1.6058 -1.3249 -1.3131 -1.2374 -1.2060 -0.6497 -0.6266 0.3494 0.4616 0.5651 0.6976 1.1041 1.1144 1.5762 1.5898 2.1125 2.1295 2.2313 2.2647 2.4794 2.5015 2.5895 2.6126 2.7131 2.7164 4.3209 4.3253 7.0903 7.1321 7.3033 7.3396 7.7288 7.7582 9.8409 9.8463 k =-0.0986 0.7806 0.3488 ( 6258 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5408 -36.5408 -11.2093 -11.2088 -10.6596 -10.6593 -10.5621 -10.5606 -10.4568 -10.4565 -9.5001 -9.4990 -2.5198 -2.5132 -1.7423 -1.7100 -1.6328 -1.5975 -1.3301 -1.3174 -1.2472 -1.2117 -0.6490 -0.6235 0.3513 0.4801 0.5688 0.7209 1.1131 1.1249 1.5772 1.5926 2.0843 2.1058 2.1984 2.2371 2.4931 2.5163 2.6010 2.6257 2.7219 2.7252 4.3184 4.3235 7.0810 7.1297 7.2933 7.3351 7.7158 7.7493 9.8321 9.8381 k =-0.1127 0.7766 0.3608 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7601 -36.7601 -36.5408 -36.5408 -11.2069 -11.2063 -10.6624 -10.6620 -10.5629 -10.5613 -10.4578 -10.4576 -9.5056 -9.5043 -2.5107 -2.5034 -1.7354 -1.6989 -1.6289 -1.5884 -1.3357 -1.3227 -1.2569 -1.2181 -0.6476 -0.6201 0.3541 0.4971 0.5757 0.7452 1.1238 1.1371 1.5788 1.5959 2.0543 2.0806 2.1642 2.2085 2.5066 2.5303 2.6132 2.6386 2.7301 2.7337 4.3159 4.3216 7.0709 7.1264 7.2825 7.3294 7.7017 7.7390 9.8226 9.8292 k =-0.1268 0.7727 0.3728 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7601 -36.7601 -36.5408 -36.5408 -11.2042 -11.2036 -10.6653 -10.6649 -10.5639 -10.5621 -10.4591 -10.4588 -9.5117 -9.5103 -2.5002 -2.4925 -1.7275 -1.6870 -1.6245 -1.5786 -1.3415 -1.3291 -1.2659 -1.2249 -0.6452 -0.6162 0.3574 0.5115 0.5865 0.7700 1.1362 1.1510 1.5811 1.5998 2.0230 2.0539 2.1294 2.1794 2.5198 2.5435 2.6260 2.6514 2.7374 2.7418 4.3134 4.3197 7.0599 7.1222 7.2710 7.3227 7.6868 7.7274 9.8126 9.8196 k =-0.1409 0.7688 0.3848 ( 6274 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7601 -36.7601 -36.5408 -36.5408 -11.2013 -11.2007 -10.6683 -10.6679 -10.5651 -10.5632 -10.4604 -10.4601 -9.5184 -9.5170 -2.4886 -2.4803 -1.7186 -1.6743 -1.6195 -1.5684 -1.3475 -1.3365 -1.2739 -1.2318 -0.6419 -0.6119 0.3612 0.5227 0.6011 0.7948 1.1504 1.1665 1.5841 1.6043 1.9906 2.0254 2.0949 2.1501 2.5326 2.5556 2.6390 2.6638 2.7435 2.7492 4.3111 4.3179 7.0481 7.1172 7.2588 7.3149 7.6712 7.7147 9.8022 9.8095 k =-0.1550 0.7648 0.3969 ( 6267 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7600 -36.7600 -36.5408 -36.5408 -11.1982 -11.1975 -10.6714 -10.6710 -10.5664 -10.5645 -10.4619 -10.4616 -9.5257 -9.5243 -2.4756 -2.4671 -1.7088 -1.6611 -1.6140 -1.5577 -1.3538 -1.3443 -1.2805 -1.2386 -0.6376 -0.6070 0.3652 0.5313 0.6184 0.8193 1.1663 1.1837 1.5878 1.6096 1.9577 1.9949 2.0614 2.1209 2.5449 2.5669 2.6518 2.6757 2.7483 2.7559 4.3089 4.3163 7.0356 7.1113 7.2460 7.3062 7.6553 7.7010 9.7917 9.7992 k =-0.1691 0.7609 0.4089 ( 6271 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7599 -36.7599 -36.5408 -36.5408 -11.1950 -11.1943 -10.6745 -10.6741 -10.5680 -10.5661 -10.4636 -10.4633 -9.5336 -9.5322 -2.4614 -2.4527 -1.6982 -1.6476 -1.6080 -1.5469 -1.3610 -1.3515 -1.2855 -1.2450 -0.6325 -0.6016 0.3692 0.5381 0.6370 0.8430 1.1839 1.2025 1.5921 1.6156 1.9247 1.9623 2.0296 2.0919 2.5566 2.5774 2.6639 2.6868 2.7519 2.7618 4.3071 4.3149 7.0222 7.1045 7.2326 7.2966 7.6392 7.6866 9.7812 9.7887 k =-0.1832 0.7569 0.4209 ( 6271 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7599 -36.7599 -36.5408 -36.5408 -11.1916 -11.1910 -10.6776 -10.6772 -10.5698 -10.5679 -10.4654 -10.4651 -9.5421 -9.5407 -2.4459 -2.4372 -1.6870 -1.6341 -1.6015 -1.5362 -1.3695 -1.3568 -1.2889 -1.2508 -0.6265 -0.5957 0.3733 0.5438 0.6558 0.8655 1.2029 1.2227 1.5968 1.6224 1.8923 1.9280 1.9996 2.0631 2.5678 2.5873 2.6750 2.6971 2.7542 2.7668 4.3056 4.3139 7.0081 7.0968 7.2188 7.2862 7.6231 7.6715 9.7707 9.7782 k =-0.1973 0.7530 0.4330 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7598 -36.7598 -36.5408 -36.5408 -11.1882 -11.1876 -10.6806 -10.6803 -10.5717 -10.5699 -10.4674 -10.4670 -9.5511 -9.5497 -2.4292 -2.4207 -1.6752 -1.6213 -1.5942 -1.5260 -1.3785 -1.3602 -1.2906 -1.2556 -0.6199 -0.5893 0.3773 0.5487 0.6740 0.8865 1.2233 1.2440 1.6014 1.6297 1.8615 1.8928 1.9713 2.0347 2.5784 2.5967 2.6846 2.7062 2.7554 2.7710 4.3047 4.3134 6.9933 7.0882 7.2046 7.2752 7.6074 7.6561 9.7604 9.7678 k =-0.2114 0.7491 0.4450 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7597 -36.7597 -36.5408 -36.5408 -11.1848 -11.1842 -10.6836 -10.6832 -10.5739 -10.5720 -10.4695 -10.4691 -9.5606 -9.5593 -2.4113 -2.4030 -1.6629 -1.6101 -1.5854 -1.5170 -1.3870 -1.3618 -1.2907 -1.2593 -0.6126 -0.5825 0.3812 0.5533 0.6909 0.9057 1.2446 1.2661 1.6048 1.6375 1.8334 1.8580 1.9447 2.0068 2.5886 2.6054 2.6924 2.7141 2.7555 2.7744 4.3043 4.3133 6.9778 7.0786 7.1900 7.2637 7.5921 7.6405 9.7503 9.7575 k =-0.2255 0.7451 0.4570 ( 6268 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7596 -36.7596 -36.5408 -36.5408 -11.1815 -11.1810 -10.6865 -10.6862 -10.5761 -10.5744 -10.4717 -10.4713 -9.5706 -9.5694 -2.3922 -2.3844 -1.6503 -1.6011 -1.5747 -1.5095 -1.3943 -1.3614 -1.2889 -1.2615 -0.6048 -0.5754 0.3850 0.5575 0.7062 0.9228 1.2665 1.2885 1.6056 1.6451 1.8085 1.8260 1.9197 1.9794 2.5981 2.6137 2.6984 2.7204 2.7549 2.7770 4.3044 4.3137 6.9615 7.0680 7.1752 7.2517 7.5776 7.6249 9.7406 9.7475 k =-0.2396 0.7412 0.4690 ( 6262 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7595 -36.7595 -36.5408 -36.5408 -11.1783 -11.1778 -10.6892 -10.6890 -10.5785 -10.5769 -10.4739 -10.4736 -9.5810 -9.5800 -2.3719 -2.3647 -1.6375 -1.5945 -1.5625 -1.5041 -1.3998 -1.3589 -1.2851 -1.2620 -0.5967 -0.5681 0.3886 0.5616 0.7197 0.9378 1.2886 1.3105 1.6020 1.6519 1.7835 1.8039 1.8967 1.9528 2.6071 2.6212 2.7026 2.7248 2.7538 2.7787 4.3052 4.3148 6.9446 7.0562 7.1600 7.2393 7.5640 7.6097 9.7312 9.7378 k =-0.2537 0.7373 0.4811 ( 6258 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7594 -36.7594 -36.5409 -36.5409 -11.1752 -11.1748 -10.6919 -10.6917 -10.5809 -10.5794 -10.4763 -10.4760 -9.5919 -9.5911 -2.3504 -2.3441 -1.6245 -1.5895 -1.5498 -1.5009 -1.4033 -1.3546 -1.2791 -1.2604 -0.5885 -0.5606 0.3922 0.5655 0.7310 0.9504 1.3101 1.3311 1.5932 1.6561 1.7580 1.7952 1.8763 1.9273 2.6153 2.6280 2.7053 2.7270 2.7527 2.7796 4.3065 4.3163 6.9271 7.0432 7.1446 7.2267 7.5516 7.5951 9.7223 9.7284 k =-0.2678 0.7333 0.4931 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7593 -36.7593 -36.5409 -36.5409 -11.1725 -11.1721 -10.6944 -10.6942 -10.5834 -10.5820 -10.4787 -10.4784 -9.6032 -9.6025 -2.3279 -2.3225 -1.6116 -1.5857 -1.5376 -1.4991 -1.4047 -1.3489 -1.2706 -1.2565 -0.5802 -0.5532 0.3957 0.5693 0.7402 0.9606 1.3303 1.3491 1.5801 1.6549 1.7386 1.7959 1.8597 1.9032 2.6226 2.6339 2.7068 2.7268 2.7516 2.7794 4.3085 4.3185 6.9089 7.0290 7.1288 7.2138 7.5405 7.5814 9.7137 9.7195 k =-0.2818 0.7294 0.5051 ( 6251 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7592 -36.7592 -36.5409 -36.5409 -11.1700 -11.1698 -10.6969 -10.6967 -10.5859 -10.5846 -10.4811 -10.4808 -9.6148 -9.6143 -2.3042 -2.2999 -1.5987 -1.5827 -1.5278 -1.4968 -1.4044 -1.3423 -1.2595 -1.2499 -0.5722 -0.5459 0.3991 0.5731 0.7470 0.9683 1.3479 1.3628 1.5657 1.6470 1.7273 1.8027 1.8488 1.8816 2.6287 2.6385 2.7076 2.7246 2.7506 2.7783 4.3110 4.3211 6.8901 7.0134 7.1127 7.2006 7.5307 7.5690 9.7055 9.7109 k =-0.2959 0.7254 0.5171 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7591 -36.7591 -36.5409 -36.5409 -11.1679 -11.1678 -10.6992 -10.6990 -10.5883 -10.5871 -10.4834 -10.4832 -9.6268 -9.6265 -2.2797 -2.2764 -1.5864 -1.5798 -1.5227 -1.4908 -1.4026 -1.3355 -1.2456 -1.2407 -0.5645 -0.5389 0.4026 0.5769 0.7516 0.9736 1.3613 1.3699 1.5535 1.6365 1.7207 1.8110 1.8457 1.8649 2.6331 2.6418 2.7080 2.7213 2.7492 2.7761 4.3140 4.3242 6.8707 6.9965 7.0962 7.1871 7.5225 7.5582 9.6976 9.7027 k =-0.3100 0.7215 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7590 -36.7590 -36.5409 -36.5409 -11.1663 -11.1663 -10.7013 -10.7012 -10.5906 -10.5895 -10.4857 -10.4855 -9.6392 -9.6389 -2.2545 -2.2516 -1.5797 -1.5717 -1.5223 -1.4806 -1.3997 -1.3287 -1.2297 -1.2286 -0.5574 -0.5324 0.4060 0.5807 0.7538 0.9763 1.3674 1.3701 1.5462 1.6289 1.7144 1.8131 1.8509 1.8600 2.6352 2.6437 2.7079 2.7181 2.7471 2.7729 4.3174 4.3277 6.8509 6.9783 7.0792 7.1731 7.5159 7.5494 9.6899 9.6949 k =-0.3100 0.7215 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7590 -36.7590 -36.5409 -36.5409 -11.1663 -11.1663 -10.7013 -10.7012 -10.5906 -10.5895 -10.4857 -10.4855 -9.6392 -9.6389 -2.2545 -2.2516 -1.5797 -1.5717 -1.5223 -1.4806 -1.3997 -1.3287 -1.2297 -1.2286 -0.5574 -0.5324 0.4060 0.5807 0.7538 0.9763 1.3674 1.3701 1.5462 1.6289 1.7144 1.8131 1.8509 1.8600 2.6352 2.6437 2.7079 2.7181 2.7471 2.7729 4.3174 4.3277 6.8509 6.9783 7.0792 7.1731 7.5159 7.5494 9.6899 9.6949 k =-0.3164 0.7032 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7587 -36.7587 -36.5409 -36.5409 -11.1637 -11.1637 -10.7063 -10.7062 -10.5959 -10.5948 -10.4910 -10.4907 -9.6691 -9.6689 -2.1944 -2.1912 -1.5745 -1.5433 -1.5259 -1.4526 -1.3891 -1.3108 -1.1919 -1.1913 -0.5419 -0.5182 0.4141 0.5896 0.7556 0.9793 1.3660 1.3691 1.5367 1.6180 1.6991 1.8019 1.8699 1.8738 2.6362 2.6464 2.7066 2.7118 2.7413 2.7642 4.3255 4.3360 6.8028 6.9331 7.0374 7.1379 7.5030 7.5322 9.6704 9.6752 k =-0.3227 0.6850 0.5292 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7584 -36.7584 -36.5410 -36.5410 -11.1620 -11.1619 -10.7113 -10.7112 -10.6013 -10.6002 -10.4963 -10.4961 -9.7005 -9.7002 -2.1324 -2.1289 -1.5721 -1.5311 -1.5129 -1.4226 -1.3732 -1.2890 -1.1492 -1.1491 -0.5267 -0.5041 0.4221 0.5985 0.7566 0.9813 1.3664 1.3699 1.5278 1.6075 1.6841 1.7877 1.8900 1.8917 2.6363 2.6482 2.7054 2.7060 2.7356 2.7545 4.3334 4.3440 6.7520 6.8854 6.9920 7.0988 7.4915 7.5165 9.6466 9.6512 k =-0.3290 0.6667 0.5292 ( 6253 PWs) bands (ev): -77.5616 -77.5616 -47.5133 -47.5133 -36.7581 -36.7581 -36.5410 -36.5410 -11.1610 -11.1610 -10.7164 -10.7163 -10.6068 -10.6057 -10.5017 -10.5015 -9.7329 -9.7327 -2.0698 -2.0660 -1.5723 -1.5375 -1.4805 -1.3910 -1.3524 -1.2636 -1.1011 -1.1008 -0.5117 -0.4904 0.4300 0.6072 0.7566 0.9823 1.3682 1.3725 1.5198 1.5975 1.6693 1.7725 1.9111 1.9117 2.6355 2.6487 2.6987 2.7059 2.7300 2.7440 4.3409 4.3517 6.6991 6.8356 6.9434 7.0563 7.4813 7.5026 9.6182 9.6226 k =-0.3354 0.6484 0.5292 ( 6245 PWs) bands (ev): -77.5616 -77.5616 -47.5133 -47.5133 -36.7577 -36.7577 -36.5410 -36.5410 -11.1609 -11.1609 -10.7215 -10.7214 -10.6123 -10.6112 -10.5071 -10.5069 -9.7661 -9.7658 -2.0078 -2.0037 -1.5747 -1.5448 -1.4466 -1.3579 -1.3271 -1.2352 -1.0463 -1.0458 -0.4971 -0.4769 0.4377 0.6157 0.7556 0.9821 1.3715 1.3768 1.5125 1.5879 1.6548 1.7570 1.9331 1.9331 2.6337 2.6476 2.6917 2.7063 2.7250 2.7325 4.3480 4.3589 6.6445 6.7840 6.8921 7.0106 7.4724 7.4905 9.5850 9.5891 k =-0.3417 0.6301 0.5292 ( 6241 PWs) bands (ev): -77.5616 -77.5616 -47.5133 -47.5133 -36.7573 -36.7573 -36.5411 -36.5411 -11.1616 -11.1616 -10.7266 -10.7265 -10.6178 -10.6168 -10.5125 -10.5123 -9.7997 -9.7995 -1.9476 -1.9431 -1.5787 -1.5526 -1.4113 -1.3237 -1.2979 -1.2039 -0.9842 -0.9836 -0.4827 -0.4638 0.4452 0.6240 0.7538 0.9809 1.3762 1.3828 1.5063 1.5787 1.6407 1.7415 1.9555 1.9561 2.6308 2.6446 2.6843 2.7072 2.7200 2.7208 4.3547 4.3658 6.5887 6.7313 6.8389 6.9624 7.4647 7.4800 9.5466 9.5505 k =-0.3480 0.6119 0.5292 ( 6229 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7570 -36.7570 -36.5411 -36.5411 -11.1631 -11.1631 -10.7316 -10.7315 -10.6233 -10.6223 -10.5179 -10.5177 -9.8334 -9.8332 -1.8900 -1.8854 -1.5838 -1.5607 -1.3750 -1.2884 -1.2654 -1.1702 -0.9144 -0.9136 -0.4688 -0.4510 0.4525 0.6320 0.7510 0.9786 1.3818 1.3904 1.5012 1.5700 1.6271 1.7260 1.9788 1.9797 2.6271 2.6393 2.6765 2.7066 2.7084 2.7178 4.3610 4.3723 6.5323 6.6777 6.7842 6.9123 7.4582 7.4710 9.5028 9.5063 k =-0.3544 0.5936 0.5292 ( 6233 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7566 -36.7566 -36.5412 -36.5412 -11.1655 -11.1655 -10.7367 -10.7366 -10.6288 -10.6278 -10.5233 -10.5231 -9.8670 -9.8668 -1.8359 -1.8311 -1.5897 -1.5691 -1.3377 -1.2522 -1.2301 -1.1343 -0.8368 -0.8358 -0.4551 -0.4386 0.4596 0.6397 0.7473 0.9751 1.3882 1.3995 1.4978 1.5616 1.6142 1.7106 2.0028 2.0041 2.6223 2.6318 2.6680 2.6921 2.7099 2.7161 4.3669 4.3783 6.4757 6.6237 6.7287 6.8608 7.4526 7.4633 9.4532 9.4564 k =-0.3607 0.5753 0.5292 ( 6237 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7562 -36.7562 -36.5412 -36.5412 -11.1687 -11.1687 -10.7417 -10.7416 -10.6342 -10.6332 -10.5286 -10.5284 -9.9002 -9.9000 -1.7856 -1.7809 -1.5962 -1.5775 -1.2995 -1.2151 -1.1922 -1.0965 -0.7518 -0.7506 -0.4419 -0.4266 0.4664 0.6469 0.7428 0.9705 1.3946 1.4101 1.4967 1.5537 1.6021 1.6954 2.0275 2.0290 2.6165 2.6220 2.6589 2.6767 2.7115 2.7154 4.3723 4.3838 6.4194 6.5697 6.6730 6.8085 7.4478 7.4568 9.3976 9.4006 k =-0.3670 0.5570 0.5292 ( 6225 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7558 -36.7558 -36.5413 -36.5413 -11.1726 -11.1726 -10.7466 -10.7465 -10.6395 -10.6386 -10.5339 -10.5337 -9.9327 -9.9325 -1.7394 -1.7349 -1.6029 -1.5859 -1.2605 -1.1770 -1.1523 -1.0569 -0.6601 -0.6586 -0.4290 -0.4150 0.4731 0.6536 0.7374 0.9648 1.4004 1.4216 1.4986 1.5462 1.5912 1.6803 2.0526 2.0543 2.6097 2.6104 2.6491 2.6602 2.7134 2.7156 4.3773 4.3889 6.3639 6.5160 6.6177 6.7559 7.4439 7.4514 9.3360 9.3386 k =-0.3734 0.5388 0.5292 ( 6221 PWs) bands (ev): -77.5615 -77.5615 -47.5131 -47.5131 -36.7554 -36.7554 -36.5413 -36.5413 -11.1773 -11.1773 -10.7514 -10.7513 -10.6448 -10.6439 -10.5391 -10.5389 -9.9644 -9.9642 -1.6973 -1.6931 -1.6097 -1.5942 -1.2205 -1.1379 -1.1105 -1.0158 -0.5629 -0.5608 -0.4165 -0.4038 0.4795 0.6598 0.7314 0.9579 1.4047 1.4338 1.5043 1.5390 1.5822 1.6655 2.0781 2.0799 2.5971 2.6018 2.6384 2.6429 2.7153 2.7164 4.3818 4.3935 6.3095 6.4629 6.5632 6.7035 7.4407 7.4468 9.2682 9.2705 k =-0.3797 0.5205 0.5292 ( 6233 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7550 -36.7550 -36.5414 -36.5414 -11.1827 -11.1827 -10.7561 -10.7560 -10.6499 -10.6490 -10.5441 -10.5439 -9.9950 -9.9948 -1.6592 -1.6554 -1.6165 -1.6024 -1.1795 -1.0978 -1.0671 -0.9735 -0.4614 -0.4586 -0.4044 -0.3929 0.4858 0.6653 0.7246 0.9499 1.4070 1.4456 1.5146 1.5321 1.5761 1.6509 2.1038 2.1057 2.5825 2.5929 2.6246 2.6268 2.7172 2.7177 4.3859 4.3975 6.2568 6.4109 6.5100 6.6518 7.4381 7.4431 9.1942 9.1962 k =-0.3860 0.5022 0.5292 ( 6249 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7546 -36.7546 -36.5415 -36.5415 -11.1888 -11.1888 -10.7607 -10.7606 -10.6549 -10.6541 -10.5491 -10.5489 -10.0244 -10.0242 -1.6249 -1.6233 -1.6216 -1.6103 -1.1374 -1.0567 -1.0223 -0.9302 -0.3926 -0.3825 -0.3571 -0.3533 0.4922 0.6701 0.7174 0.9407 1.4073 1.4556 1.5256 1.5295 1.5744 1.6366 2.1296 2.1315 2.5668 2.5830 2.6056 2.6144 2.7192 2.7192 4.3895 4.4011 6.2060 6.3601 6.4586 6.6010 7.4360 7.4400 9.1142 9.1160 k =-0.3924 0.4839 0.5292 ( 6249 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7542 -36.7542 -36.5416 -36.5416 -11.1954 -11.1954 -10.7652 -10.7651 -10.6597 -10.6589 -10.5539 -10.5537 -10.0524 -10.0522 -1.6299 -1.6180 -1.5941 -1.5912 -1.0944 -1.0147 -0.9765 -0.8862 -0.3810 -0.3724 -0.2518 -0.2465 0.4989 0.6741 0.7099 0.9304 1.4060 1.4619 1.5194 1.5488 1.5794 1.6227 2.1553 2.1572 2.5501 2.5719 2.5859 2.6010 2.7209 2.7212 4.3927 4.4042 6.1575 6.3109 6.4094 6.5516 7.4344 7.4375 9.0286 9.0301 k =-0.3987 0.4657 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7539 -36.7539 -36.5417 -36.5416 -11.2025 -11.2025 -10.7695 -10.7694 -10.6644 -10.6636 -10.5585 -10.5583 -10.0789 -10.0788 -1.6363 -1.6253 -1.5664 -1.5640 -1.0504 -0.9720 -0.9300 -0.8418 -0.3697 -0.3626 -0.1473 -0.1398 0.5064 0.6772 0.7023 0.9190 1.4037 1.4634 1.5136 1.5722 1.5921 1.6091 2.1807 2.1827 2.5329 2.5599 2.5657 2.5867 2.7227 2.7232 4.3954 4.4069 6.1116 6.2634 6.3627 6.5037 7.4331 7.4355 8.9377 8.9390 k =-0.4050 0.4474 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7535 -36.7535 -36.5417 -36.5417 -11.2100 -11.2100 -10.7736 -10.7735 -10.6689 -10.6682 -10.5629 -10.5628 -10.1039 -10.1037 -1.6424 -1.6324 -1.5418 -1.5397 -1.0057 -0.9287 -0.8829 -0.7973 -0.3586 -0.3531 -0.0459 -0.0353 0.5153 0.6794 0.6952 0.9064 1.4006 1.4607 1.5080 1.5958 1.5994 1.6123 2.2057 2.2077 2.5151 2.5452 2.5468 2.5715 2.7246 2.7252 4.3978 4.4091 6.0686 6.2177 6.3188 6.4578 7.4322 7.4340 8.8423 8.8434 k =-0.4113 0.4291 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7531 -36.7531 -36.5418 -36.5418 -11.2178 -11.2178 -10.7776 -10.7775 -10.6731 -10.6724 -10.5672 -10.5670 -10.1272 -10.1270 -1.6483 -1.6391 -1.5197 -1.5181 -0.9604 -0.8851 -0.8357 -0.7531 -0.3475 -0.3438 0.0499 0.0652 0.5269 0.6807 0.6891 0.8929 1.3971 1.4552 1.5027 1.5830 1.6304 1.6388 2.2302 2.2321 2.4972 2.5246 2.5329 2.5556 2.7265 2.7271 4.3998 4.4108 6.0285 6.1741 6.2779 6.4139 7.4316 7.4328 8.7431 8.7441 k =-0.4177 0.4108 0.5292 ( 6269 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7528 -36.7528 -36.5419 -36.5419 -11.2257 -11.2257 -10.7813 -10.7812 -10.6771 -10.6765 -10.5712 -10.5711 -10.1488 -10.1487 -1.6538 -1.6455 -1.5001 -1.4987 -0.9148 -0.8415 -0.7887 -0.7096 -0.3364 -0.3347 0.1366 0.1589 0.5430 0.6810 0.6852 0.8783 1.3934 1.4480 1.4978 1.5706 1.6651 1.6707 2.2540 2.2557 2.4793 2.5041 2.5182 2.5390 2.7285 2.7291 4.4014 4.4121 5.9917 6.1327 6.2403 6.3722 7.4312 7.4320 8.6411 8.6419 k =-0.4240 0.3926 0.5292 ( 6265 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7524 -36.7524 -36.5419 -36.5419 -11.2338 -11.2338 -10.7848 -10.7848 -10.6809 -10.6803 -10.5750 -10.5749 -10.1687 -10.1686 -1.6591 -1.6514 -1.4826 -1.4815 -0.8692 -0.7983 -0.7424 -0.6675 -0.3256 -0.3252 0.2104 0.2431 0.5660 0.6803 0.6852 0.8627 1.3897 1.4399 1.4932 1.5587 1.7034 1.7072 2.2768 2.2784 2.4616 2.4840 2.5029 2.5220 2.7304 2.7311 4.4027 4.4131 5.9582 6.0936 6.2060 6.3329 7.4311 7.4314 8.5375 8.5382 k =-0.4303 0.3743 0.5292 ( 6265 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7521 -36.7521 -36.5419 -36.5419 -11.2418 -11.2417 -10.7881 -10.7881 -10.6844 -10.6839 -10.5786 -10.5784 -10.1869 -10.1868 -1.6639 -1.6570 -1.4672 -1.4663 -0.8239 -0.7558 -0.6972 -0.6271 -0.3165 -0.3135 0.2680 0.3141 0.5982 0.6787 0.6913 0.8463 1.3861 1.4316 1.4889 1.5474 1.7452 1.7477 2.2986 2.2999 2.4445 2.4646 2.4872 2.5047 2.7324 2.7331 4.4038 4.4136 5.9281 6.0568 6.1752 6.2961 7.4310 7.4311 8.4335 8.4342 k =-0.4367 0.3560 0.5292 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7519 -36.7519 -36.5420 -36.5420 -11.2495 -11.2495 -10.7912 -10.7911 -10.6877 -10.6872 -10.5818 -10.5817 -10.2034 -10.2033 -1.6683 -1.6622 -1.4535 -1.4528 -0.7795 -0.7144 -0.6536 -0.5892 -0.3071 -0.3014 0.3084 0.3682 0.6396 0.6762 0.7063 0.8291 1.3825 1.4233 1.4849 1.5366 1.7901 1.7916 2.3190 2.3200 2.4282 2.4462 2.4712 2.4873 2.7345 2.7351 4.4046 4.4139 5.9014 6.0223 6.1480 6.2617 7.4310 7.4311 8.3306 8.3312 k =-0.4430 0.3377 0.5292 ( 6273 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7516 -36.7516 -36.5420 -36.5420 -11.2570 -11.2570 -10.7940 -10.7939 -10.6907 -10.6903 -10.5849 -10.5847 -10.2182 -10.2181 -1.6724 -1.6669 -1.4415 -1.4409 -0.7361 -0.6747 -0.6123 -0.5545 -0.2973 -0.2885 0.3339 0.4038 0.6731 0.6869 0.7312 0.8112 1.3792 1.4152 1.4813 1.5266 1.8374 1.8382 2.3377 2.3386 2.4129 2.4292 2.4552 2.4704 2.7365 2.7371 4.4053 4.4139 5.8782 5.9902 6.1243 6.2299 7.4309 7.4313 8.2302 8.2308 k =-0.4493 0.3195 0.5292 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7513 -36.7513 -36.5420 -36.5420 -11.2641 -11.2641 -10.7965 -10.7964 -10.6934 -10.6930 -10.5876 -10.5875 -10.2313 -10.2312 -1.6760 -1.6712 -1.4310 -1.4306 -0.6944 -0.6372 -0.5740 -0.5234 -0.2868 -0.2750 0.3489 0.4225 0.6694 0.7356 0.7640 0.7930 1.3762 1.4075 1.4781 1.5172 1.8861 1.8864 2.3544 2.3552 2.3990 2.4143 2.4395 2.4542 2.7386 2.7392 4.4058 4.4137 5.8583 5.9606 6.1042 6.2007 7.4311 7.4315 8.1341 8.1346 k =-0.4557 0.3012 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7511 -36.7511 -36.5421 -36.5421 -11.2706 -11.2706 -10.7987 -10.7987 -10.6958 -10.6954 -10.5900 -10.5899 -10.2428 -10.2427 -1.6792 -1.6750 -1.4220 -1.4216 -0.6549 -0.6024 -0.5393 -0.4965 -0.2756 -0.2608 0.3570 0.4288 0.6656 0.7745 0.7821 0.8000 1.3736 1.4003 1.4754 1.5086 1.9348 1.9349 2.3676 2.3693 2.3865 2.4028 2.4243 2.4395 2.7407 2.7412 4.4062 4.4133 5.8418 5.9335 6.0875 6.1741 7.4312 7.4317 8.0438 8.0443 k =-0.4620 0.2829 0.5292 ( 6261 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7509 -36.7509 -36.5421 -36.5421 -11.2765 -11.2765 -10.8007 -10.8007 -10.6979 -10.6976 -10.5921 -10.5921 -10.2527 -10.2526 -1.6820 -1.6784 -1.4143 -1.4141 -0.6181 -0.5711 -0.5089 -0.4740 -0.2635 -0.2465 0.3611 0.4270 0.6620 0.7562 0.8238 0.8353 1.3714 1.3937 1.4731 1.5008 1.9818 1.9823 2.3726 2.3758 2.3796 2.3997 2.4099 2.4276 2.7428 2.7433 4.4065 4.4128 5.8286 5.9088 6.0743 6.1501 7.4314 7.4319 7.9611 7.9616 k =-0.4683 0.2646 0.5292 ( 6265 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7507 -36.7507 -36.5421 -36.5421 -11.2817 -11.2817 -10.8024 -10.8024 -10.6996 -10.6994 -10.5940 -10.5939 -10.2609 -10.2609 -1.6843 -1.6813 -1.4080 -1.4077 -0.5846 -0.5438 -0.4832 -0.4561 -0.2507 -0.2326 0.3630 0.4206 0.6590 0.7383 0.8597 0.8671 1.3696 1.3878 1.4713 1.4938 2.0257 2.0264 2.3670 2.3683 2.3835 2.3966 2.4062 2.4215 2.7448 2.7453 4.4068 4.4121 5.8187 5.8866 6.0643 6.1287 7.4317 7.4322 7.8876 7.8881 k =-0.4747 0.2463 0.5292 ( 6257 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7505 -36.7505 -36.5421 -36.5421 -11.2860 -11.2860 -10.8038 -10.8038 -10.7011 -10.7009 -10.5954 -10.5954 -10.2677 -10.2676 -1.6861 -1.6837 -1.4028 -1.4026 -0.5550 -0.5212 -0.4624 -0.4423 -0.2377 -0.2201 0.3641 0.4118 0.6572 0.7212 0.8891 0.8939 1.3684 1.3827 1.4702 1.4877 2.0647 2.0655 2.3602 2.3621 2.3798 2.3845 2.4147 2.4225 2.7468 2.7472 4.4071 4.4115 5.8120 5.8670 6.0577 6.1099 7.4319 7.4323 7.8250 7.8254 k =-0.4810 0.2281 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7504 -36.7504 -36.5422 -36.5421 -11.2895 -11.2895 -10.8049 -10.8048 -10.7022 -10.7021 -10.5966 -10.5966 -10.2729 -10.2729 -1.6875 -1.6857 -1.3988 -1.3987 -0.5301 -0.5039 -0.4465 -0.4324 -0.2252 -0.2100 0.3654 0.4021 0.6570 0.7055 0.9119 0.9149 1.3677 1.3782 1.4696 1.4826 2.0970 2.0978 2.3555 2.3572 2.3727 2.3741 2.4222 2.4265 2.7485 2.7488 4.4075 4.4108 5.8084 5.8501 6.0541 6.0938 7.4321 7.4325 7.7746 7.7749 k =-0.4873 0.2098 0.5292 ( 6276 PWs) bands (ev): -77.5617 -77.5617 -47.5127 -47.5127 -36.7504 -36.7504 -36.5422 -36.5422 -11.2920 -11.2920 -10.8056 -10.8056 -10.7030 -10.7029 -10.5974 -10.5974 -10.2766 -10.2766 -1.6884 -1.6872 -1.3960 -1.3959 -0.5104 -0.4925 -0.4350 -0.4262 -0.2144 -0.2031 0.3676 0.3925 0.6588 0.6914 0.9281 0.9299 1.3677 1.3746 1.4698 1.4783 2.1213 2.1220 2.3530 2.3543 2.3654 2.3656 2.4279 2.4303 2.7499 2.7501 4.4079 4.4101 5.8079 5.8359 6.0536 6.0802 7.4323 7.4326 7.7376 7.7379 k =-0.4937 0.1915 0.5292 ( 6268 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2935 -11.2935 -10.8061 -10.8061 -10.7035 -10.7035 -10.5979 -10.5979 -10.2788 -10.2788 -1.6888 -1.6882 -1.3943 -1.3943 -0.4965 -0.4874 -0.4275 -0.4233 -0.2060 -0.2001 0.3713 0.3839 0.6631 0.6795 0.9379 0.9387 1.3683 1.3717 1.4707 1.4749 2.1365 2.1368 2.3528 2.3538 2.3591 2.3595 2.4316 2.4327 2.7508 2.7509 4.4083 4.4094 5.8105 5.8246 6.0560 6.0694 7.4325 7.4326 7.7151 7.7153 k =-0.5000 0.1732 0.5292 ( 6260 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.2940 -11.2940 -10.8063 -10.8063 -10.7036 -10.7036 -10.5981 -10.5981 -10.2795 -10.2795 -1.6888 -1.6888 -1.3937 -1.3937 -0.4887 -0.4887 -0.4237 -0.4237 -0.2011 -0.2011 0.3768 0.3768 0.6700 0.6700 0.9414 0.9414 1.3696 1.3696 1.4724 1.4724 2.1417 2.1417 2.3548 2.3548 2.3556 2.3556 2.4332 2.4332 2.7512 2.7512 4.4088 4.4088 5.8161 5.8161 6.0614 6.0614 7.4326 7.4326 7.7076 7.7076 k = 0.0000 0.0000 0.5292 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5421 -36.5421 -11.4730 -11.4730 -10.7944 -10.7944 -10.6842 -10.6842 -10.3962 -10.3962 -10.2833 -10.2833 -1.6114 -1.6114 -1.2852 -1.2852 -0.6559 -0.6559 -0.4976 -0.4976 -0.3381 -0.3381 -0.2352 -0.2352 0.5501 0.5501 1.1889 1.1889 1.6461 1.6461 1.9505 1.9505 2.1901 2.1901 2.3183 2.3183 2.3698 2.3698 2.5010 2.5010 2.6486 2.6486 4.2388 4.2388 5.7742 5.7742 6.0231 6.0231 7.7618 7.7618 7.8018 7.8018 k = 0.0064 0.0185 0.5292 ( 6250 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7503 -36.7503 -36.5422 -36.5422 -11.4725 -11.4725 -10.7942 -10.7942 -10.6841 -10.6841 -10.3960 -10.3960 -10.2827 -10.2827 -1.6116 -1.6110 -1.2857 -1.2848 -0.6575 -0.6565 -0.5039 -0.4994 -0.3486 -0.3316 -0.2419 -0.2256 0.5495 0.5529 1.1826 1.1828 1.6455 1.6468 1.9509 1.9513 2.1868 2.1887 2.3183 2.3186 2.3677 2.3702 2.5020 2.5024 2.6485 2.6490 4.2389 4.2389 5.7751 5.7764 6.0240 6.0252 7.7612 7.7616 7.8094 7.8098 k = 0.0128 0.0370 0.5292 ( 6246 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7504 -36.7504 -36.5421 -36.5421 -11.4708 -11.4708 -10.7934 -10.7934 -10.6838 -10.6838 -10.3953 -10.3953 -10.2808 -10.2808 -1.6116 -1.6104 -1.2862 -1.2844 -0.6612 -0.6593 -0.5170 -0.5089 -0.3613 -0.3326 -0.2429 -0.2146 0.5509 0.5577 1.1639 1.1644 1.6449 1.6473 1.9525 1.9533 2.1790 2.1827 2.3183 2.3195 2.3640 2.3692 2.5053 2.5060 2.6487 2.6497 4.2392 4.2392 5.7791 5.7818 6.0279 6.0302 7.7607 7.7612 7.8322 7.8327 k = 0.0192 0.0555 0.5292 ( 6234 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7504 -36.7504 -36.5421 -36.5421 -11.4682 -11.4682 -10.7922 -10.7921 -10.6834 -10.6834 -10.3942 -10.3942 -10.2776 -10.2776 -1.6113 -1.6096 -1.2868 -1.2841 -0.6677 -0.6646 -0.5354 -0.5248 -0.3764 -0.3436 -0.2364 -0.2026 0.5541 0.5640 1.1332 1.1338 1.6443 1.6478 1.9550 1.9564 2.1670 2.1722 2.3179 2.3206 2.3591 2.3672 2.5111 2.5120 2.6491 2.6507 4.2398 4.2398 5.7862 5.7902 6.0349 6.0383 7.7606 7.7611 7.8689 7.8693 k = 0.0256 0.0740 0.5292 ( 6242 PWs) bands (ev): -77.5616 -77.5616 -47.5127 -47.5127 -36.7506 -36.7506 -36.5421 -36.5421 -11.4645 -11.4645 -10.7904 -10.7904 -10.6828 -10.6828 -10.3929 -10.3928 -10.2730 -10.2730 -1.6109 -1.6086 -1.2873 -1.2838 -0.6774 -0.6731 -0.5573 -0.5450 -0.3948 -0.3631 -0.2246 -0.1899 0.5585 0.5712 1.0909 1.0917 1.6435 1.6481 1.9583 1.9605 2.1512 2.1576 2.3162 2.3212 2.3539 2.3651 2.5192 2.5201 2.6499 2.6520 4.2406 4.2407 5.7965 5.8016 6.0449 6.0494 7.7609 7.7614 7.9186 7.9190 k = 0.0321 0.0925 0.5292 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7507 -36.7507 -36.5421 -36.5421 -11.4598 -11.4598 -10.7882 -10.7881 -10.6820 -10.6820 -10.3913 -10.3913 -10.2669 -10.2669 -1.6102 -1.6074 -1.2880 -1.2835 -0.6915 -0.6858 -0.5807 -0.5673 -0.4166 -0.3885 -0.2100 -0.1765 0.5634 0.5786 1.0378 1.0389 1.6426 1.6481 1.9621 1.9653 2.1321 2.1396 2.3120 2.3189 2.3510 2.3642 2.5297 2.5303 2.6510 2.6537 4.2419 4.2419 5.8098 5.8161 6.0581 6.0635 7.7616 7.7621 7.9801 7.9805 k = 0.0385 0.1110 0.5292 ( 6238 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7508 -36.7508 -36.5421 -36.5421 -11.4542 -11.4542 -10.7854 -10.7853 -10.6811 -10.6811 -10.3897 -10.3896 -10.2591 -10.2591 -1.6095 -1.6061 -1.2887 -1.2833 -0.7108 -0.7041 -0.6036 -0.5899 -0.4417 -0.4179 -0.1943 -0.1625 0.5677 0.5849 0.9752 0.9769 1.6413 1.6477 1.9660 1.9705 2.1104 2.1187 2.3046 2.3115 2.3527 2.3656 2.5423 2.5424 2.6523 2.6557 4.2436 4.2437 5.8263 5.8335 6.0745 6.0807 7.7625 7.7630 8.0524 8.0527 k = 0.0449 0.1295 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5128 -47.5128 -36.7511 -36.7511 -36.5421 -36.5421 -11.4477 -11.4477 -10.7822 -10.7821 -10.6801 -10.6800 -10.3882 -10.3881 -10.2495 -10.2495 -1.6087 -1.6047 -1.2895 -1.2833 -0.7360 -0.7289 -0.6250 -0.6119 -0.4692 -0.4498 -0.1783 -0.1484 0.5696 0.5878 0.9054 0.9082 1.6395 1.6467 1.9695 1.9757 2.0866 2.0958 2.2938 2.2995 2.3586 2.3695 2.5560 2.5569 2.6541 2.6583 4.2458 4.2459 5.8459 5.8539 6.0941 6.1010 7.7637 7.7641 8.1337 8.1340 k = 0.0513 0.1480 0.5292 ( 6266 PWs) bands (ev): -77.5617 -77.5617 -47.5128 -47.5128 -36.7513 -36.7513 -36.5420 -36.5420 -11.4403 -11.4403 -10.7785 -10.7784 -10.6789 -10.6788 -10.3868 -10.3867 -10.2380 -10.2380 -1.6078 -1.6033 -1.2904 -1.2834 -0.7667 -0.7596 -0.6454 -0.6336 -0.4981 -0.4830 -0.1624 -0.1342 0.5655 0.5829 0.8327 0.8382 1.6371 1.6452 1.9720 1.9804 2.0613 2.0716 2.2800 2.2845 2.3675 2.3759 2.5708 2.5729 2.6565 2.6615 4.2485 4.2486 5.8686 5.8773 6.1169 6.1245 7.7650 7.7655 8.2227 8.2230 k = 0.0577 0.1665 0.5292 ( 6276 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7516 -36.7516 -36.5420 -36.5420 -11.4323 -11.4323 -10.7744 -10.7742 -10.6776 -10.6775 -10.3857 -10.3856 -10.2245 -10.2245 -1.6070 -1.6020 -1.2914 -1.2836 -0.8019 -0.7951 -0.6664 -0.6564 -0.5269 -0.5158 -0.1469 -0.1203 0.5475 0.5609 0.7658 0.7772 1.6341 1.6430 1.9727 1.9838 2.0353 2.0471 2.2637 2.2673 2.3787 2.3846 2.5860 2.5896 2.6596 2.6658 4.2517 4.2519 5.8944 5.9037 6.1431 6.1511 7.7665 7.7670 8.3177 8.3179 k = 0.0641 0.1850 0.5292 ( 6268 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7519 -36.7519 -36.5420 -36.5420 -11.4236 -11.4236 -10.7698 -10.7696 -10.6762 -10.6761 -10.3849 -10.3848 -10.2090 -10.2090 -1.6063 -1.6008 -1.2926 -1.2840 -0.8404 -0.8339 -0.6901 -0.6821 -0.5541 -0.5471 -0.1321 -0.1069 0.5035 0.5098 0.7184 0.7384 1.6303 1.6402 1.9696 1.9836 2.0109 2.0243 2.2454 2.2483 2.3919 2.3954 2.6009 2.6061 2.6642 2.6716 4.2554 4.2556 5.9233 5.9330 6.1726 6.1810 7.7681 7.7686 8.4171 8.4174 k = 0.0705 0.2035 0.5292 ( 6268 PWs) bands (ev): -77.5617 -77.5617 -47.5129 -47.5129 -36.7522 -36.7522 -36.5419 -36.5419 -11.4143 -11.4143 -10.7647 -10.7646 -10.6747 -10.6746 -10.3845 -10.3844 -10.1915 -10.1915 -1.6059 -1.6000 -1.2940 -1.2847 -0.8812 -0.8749 -0.7178 -0.7119 -0.5790 -0.5756 -0.1182 -0.0946 0.4305 0.4310 0.6952 0.7221 1.6259 1.6368 1.9592 1.9702 1.9976 2.0068 2.2255 2.2278 2.4069 2.4082 2.6144 2.6210 2.6712 2.6796 4.2595 4.2598 5.9553 5.9652 6.2054 6.2140 7.7698 7.7704 8.5194 8.5197 k = 0.0769 0.2220 0.5292 ( 6260 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7525 -36.7525 -36.5418 -36.5418 -11.4045 -11.4045 -10.7593 -10.7591 -10.6731 -10.6730 -10.3844 -10.3843 -10.1720 -10.1720 -1.6059 -1.5995 -1.2956 -1.2858 -0.9234 -0.9172 -0.7501 -0.7457 -0.6017 -0.6012 -0.1061 -0.0844 0.3368 0.3400 0.6870 0.7181 1.6207 1.6326 1.9396 1.9445 1.9945 1.9963 2.2041 2.2061 2.4229 2.4235 2.6256 2.6327 2.6820 2.6903 4.2641 4.2643 5.9904 6.0003 6.2415 6.2501 7.7717 7.7723 8.6232 8.6235 k = 0.0833 0.2405 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5129 -47.5129 -36.7528 -36.7528 -36.5418 -36.5418 -11.3943 -11.3943 -10.7534 -10.7533 -10.6715 -10.6714 -10.3847 -10.3846 -10.1505 -10.1505 -1.6065 -1.5998 -1.2975 -1.2873 -0.9664 -0.9601 -0.7864 -0.7830 -0.6248 -0.6231 -0.0976 -0.0788 0.2377 0.2447 0.6852 0.7193 1.6149 1.6280 1.9146 1.9163 1.9896 1.9919 2.1817 2.1835 2.4393 2.4415 2.6341 2.6406 2.6964 2.7038 4.2689 4.2692 6.0285 6.0383 6.2808 6.2892 7.7737 7.7743 8.7272 8.7275 k = 0.0897 0.2590 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7532 -36.7532 -36.5417 -36.5417 -11.3838 -11.3838 -10.7472 -10.7471 -10.6698 -10.6697 -10.3854 -10.3853 -10.1271 -10.1271 -1.6080 -1.6010 -1.2998 -1.2895 -1.0096 -1.0031 -0.8255 -0.8227 -0.6480 -0.6449 -0.0976 -0.0840 0.1438 0.1565 0.6860 0.7224 1.6087 1.6228 1.8872 1.8875 1.9833 1.9880 2.1582 2.1600 2.4571 2.4607 2.6404 2.6459 2.7133 2.7192 4.2740 4.2744 6.0695 6.0790 6.3231 6.3313 7.7758 7.7764 8.8300 8.8304 k = 0.0962 0.2775 0.5292 ( 6252 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7535 -36.7535 -36.5417 -36.5417 -11.3731 -11.3731 -10.7406 -10.7405 -10.6680 -10.6679 -10.3864 -10.3863 -10.1020 -10.1019 -1.6107 -1.6035 -1.3027 -1.2925 -1.0525 -1.0455 -0.8664 -0.8637 -0.6726 -0.6687 -0.1191 -0.1139 0.0719 0.0935 0.6877 0.7262 1.6020 1.6172 1.8586 1.8590 1.9764 1.9825 2.1341 2.1359 2.4760 2.4808 2.6453 2.6497 2.7311 2.7355 4.2792 4.2796 6.1133 6.1225 6.3684 6.3762 7.7779 7.7786 8.9307 8.9311 k = 0.1026 0.2960 0.5292 ( 6248 PWs) bands (ev): -77.5616 -77.5616 -47.5130 -47.5130 -36.7539 -36.7539 -36.5416 -36.5416 -11.3623 -11.3623 -10.7337 -10.7335 -10.6663 -10.6662 -10.3877 -10.3876 -10.0751 -10.0750 -1.6150 -1.6079 -1.3062 -1.2966 -1.0945 -1.0868 -0.9080 -0.9053 -0.7007 -0.6965 -0.1763 -0.1759 0.0389 0.0668 0.6893 0.7297 1.5950 1.6113 1.8299 1.8305 1.9684 1.9754 2.1095 2.1114 2.4957 2.5015 2.6492 2.6527 2.7490 2.7520 4.2846 4.2850 6.1597 6.1684 6.4163 6.4238 7.7802 7.7809 9.0284 9.0288 k = 0.1090 0.3145 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7543 -36.7543 -36.5416 -36.5416 -11.3514 -11.3514 -10.7265 -10.7263 -10.6645 -10.6644 -10.3894 -10.3892 -10.0466 -10.0466 -1.6216 -1.6147 -1.3105 -1.3024 -1.1351 -1.1263 -0.9495 -0.9468 -0.7348 -0.7308 -0.2547 -0.2536 0.0345 0.0641 0.6905 0.7327 1.5880 1.6053 1.8016 1.8022 1.9592 1.9667 2.0846 2.0867 2.5159 2.5224 2.6526 2.6552 2.7663 2.7681 4.2899 4.2904 6.2085 6.2167 6.4668 6.4737 7.7825 7.7833 9.1221 9.1225 k = 0.1154 0.3330 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5131 -47.5131 -36.7547 -36.7547 -36.5415 -36.5415 -11.3405 -11.3405 -10.7190 -10.7188 -10.6627 -10.6626 -10.3913 -10.3912 -10.0167 -10.0166 -1.6313 -1.6248 -1.3160 -1.3103 -1.1737 -1.1631 -0.9902 -0.9877 -0.7773 -0.7739 -0.3317 -0.3316 0.0418 0.0717 0.6910 0.7349 1.5809 1.5991 1.7738 1.7742 1.9487 1.9566 2.0595 2.0619 2.5363 2.5433 2.6557 2.6576 2.7826 2.7835 4.2953 4.2958 6.2596 6.2671 6.5194 6.5257 7.7849 7.7857 9.2113 9.2118 k = 0.1218 0.3515 0.5292 ( 6268 PWs) bands (ev): -77.5617 -77.5617 -47.5131 -47.5131 -36.7551 -36.7551 -36.5415 -36.5415 -11.3298 -11.3298 -10.7112 -10.7110 -10.6609 -10.6609 -10.3936 -10.3934 -9.9855 -9.9854 -1.6451 -1.6392 -1.3230 -1.3210 -1.2096 -1.1966 -1.0296 -1.0275 -0.8297 -0.8273 -0.3998 -0.3985 0.0539 0.0839 0.6906 0.7361 1.5740 1.5930 1.7468 1.7468 1.9371 1.9453 2.0345 2.0373 2.5566 2.5639 2.6588 2.6598 2.7977 2.7979 4.3005 4.3012 6.3126 6.3194 6.5739 6.5796 7.7874 7.7883 9.2955 9.2961 k = 0.1282 0.3700 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5132 -47.5132 -36.7555 -36.7555 -36.5414 -36.5414 -11.3192 -11.3192 -10.7032 -10.7030 -10.6592 -10.6591 -10.3961 -10.3960 -9.9531 -9.9531 -1.6642 -1.6593 -1.3348 -1.3318 -1.2424 -1.2263 -1.0670 -1.0659 -0.8911 -0.8897 -0.4549 -0.4520 0.0683 0.0985 0.6892 0.7362 1.5673 1.5869 1.7201 1.7206 1.9244 1.9327 2.0097 2.0130 2.5764 2.5838 2.6620 2.6621 2.8108 2.8118 4.3057 4.3063 6.3672 6.3733 6.6299 6.6350 7.7901 7.7909 9.3745 9.3750 k = 0.1346 0.3885 0.5292 ( 6274 PWs) bands (ev): -77.5617 -77.5617 -47.5132 -47.5132 -36.7560 -36.7560 -36.5414 -36.5414 -11.3089 -11.3089 -10.6950 -10.6948 -10.6574 -10.6574 -10.3990 -10.3988 -9.9199 -9.9199 -1.6900 -1.6862 -1.3515 -1.3428 -1.2716 -1.2530 -1.1032 -1.1023 -0.9573 -0.9567 -0.4974 -0.4933 0.0841 0.1144 0.6869 0.7351 1.5611 1.5809 1.6943 1.6956 1.9107 1.9192 1.9853 1.9892 2.5956 2.6026 2.6647 2.6656 2.8226 2.8244 4.3107 4.3114 6.4231 6.4283 6.6871 6.6914 7.7928 7.7937 9.4478 9.4485 k = 0.1410 0.4070 0.5292 ( 6270 PWs) bands (ev): -77.5617 -77.5617 -47.5132 -47.5132 -36.7564 -36.7564 -36.5413 -36.5413 -11.2988 -11.2988 -10.6866 -10.6864 -10.6557 -10.6557 -10.4021 -10.4019 -9.8860 -9.8860 -1.7238 -1.7211 -1.3701 -1.3562 -1.2977 -1.2782 -1.1402 -1.1357 -1.0220 -1.0214 -0.5301 -0.5250 0.1007 0.1313 0.6835 0.7329 1.5553 1.5750 1.6696 1.6719 1.8961 1.9048 1.9613 1.9660 2.6135 2.6196 2.6677 2.6703 2.8331 2.8357 4.3154 4.3162 6.4798 6.4843 6.7449 6.7486 7.7957 7.7966 9.5156 9.5162 k = 0.1474 0.4255 0.5292 ( 6272 PWs) bands (ev): -77.5617 -77.5617 -47.5133 -47.5133 -36.7567 -36.7567 -36.5413 -36.5413 -11.2891 -11.2891 -10.6781 -10.6779 -10.6541 -10.6540 -10.4055 -10.4053 -9.8517 -9.8516 -1.7664 -1.7647 -1.3893 -1.3720 -1.3217 -1.3041 -1.1785 -1.1688 -1.0778 -1.0768 -0.5557 -0.5499 0.1178 0.1489 0.6791 0.7295 1.5501 1.5690 1.6461 1.6500 1.8808 1.8896 1.9381 1.9436 2.6297 2.6339 2.6719 2.6769 2.8422 2.8456 4.3200 4.3207 6.5370 6.5408 6.8029 6.8060 7.7988 7.7997 9.5778 9.5784 k = 0.1538 0.4440 0.5292 ( 6272 PWs) bands (ev): -77.5616 -77.5616 -47.5133 -47.5133 -36.7571 -36.7571 -36.5412 -36.5412 -11.2799 -11.2799 -10.6694 -10.6693 -10.6525 -10.6524 -10.4091 -10.4089 -9.8171 -9.8171 -1.8178 -1.8168 -1.4088 -1.3903 -1.3451 -1.3322 -1.2181 -1.2035 -1.1187 -1.1180 -0.5763 -0.5701 0.1354 0.1669 0.6737 0.7248 1.5453 1.5626 1.6241 1.6303 1.8649 1.8739 1.9155 1.9220 2.6428 2.6445 2.6782 2.6863 2.8499 2.8541 4.3243 4.3251 6.5942 6.5972 6.8607 6.8631 7.8020 7.8029 9.6344 9.6350 k = 0.1603 0.4625 0.5292 ( 6276 PWs) bands (ev): -77.5617 -77.5617 -47.5133 -47.5133 -36.7575 -36.7575 -36.5412 -36.5412 -11.2710 -11.2710 -10.6608 -10.6606 -10.6509 -10.6509 -10.4130 -10.4128 -9.7827 -9.7827 -1.8771 -1.8766 -1.4290 -1.4116 -1.3695 -1.3624 -1.2545 -1.2375 -1.1461 -1.1449 -0.5935 -0.5870 0.1534 0.1853 0.6673 0.7189 1.5407 1.5550 1.6042 1.6138 1.8485 1.8577 1.8939 1.9014 2.6514 2.6518 2.6877 2.6984 2.8564 2.8613 4.3284 4.3291 6.6509 6.6532 6.9176 6.9195 7.8055 7.8063 9.6857 9.6863 k = 0.1667 0.4810 0.5292 ( 6268 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7578 -36.7578 -36.5411 -36.5411 -11.2627 -11.2627 -10.6523 -10.6521 -10.6493 -10.6490 -10.4171 -10.4169 -9.7486 -9.7486 -1.9425 -1.9423 -1.4507 -1.4363 -1.3951 -1.3933 -1.2828 -1.2665 -1.1653 -1.1614 -0.6081 -0.6015 0.1715 0.2039 0.6599 0.7118 1.5357 1.5456 1.5869 1.6012 1.8318 1.8412 1.8732 1.8817 2.6559 2.6573 2.6998 2.7119 2.8616 2.8672 4.3322 4.3329 6.7066 6.7084 6.9733 6.9746 7.8092 7.8099 9.7318 9.7324 k = 0.1731 0.4995 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7582 -36.7582 -36.5411 -36.5411 -11.2548 -11.2548 -10.6484 -10.6482 -10.6432 -10.6427 -10.4214 -10.4212 -9.7153 -9.7152 -2.0118 -2.0117 -1.4747 -1.4639 -1.4224 -1.4209 -1.3021 -1.2890 -1.1787 -1.1723 -0.6208 -0.6143 0.1898 0.2226 0.6516 0.7035 1.5291 1.5341 1.5736 1.5930 1.8152 1.8246 1.8534 1.8629 2.6591 2.6607 2.7130 2.7257 2.8656 2.8719 4.3357 4.3364 6.7609 6.7621 7.0271 7.0280 7.8131 7.8138 9.7730 9.7737 k = 0.1795 0.5180 0.5292 ( 6276 PWs) bands (ev): -77.5617 -77.5617 -47.5134 -47.5134 -36.7585 -36.7585 -36.5410 -36.5410 -11.2475 -11.2475 -10.6470 -10.6468 -10.6346 -10.6342 -10.4259 -10.4257 -9.6829 -9.6829 -2.0828 -2.0827 -1.5004 -1.4928 -1.4487 -1.4457 -1.3145 -1.3054 -1.1882 -1.1799 -0.6321 -0.6256 0.2082 0.2413 0.6426 0.6941 1.5200 1.5212 1.5655 1.5885 1.7987 1.8080 1.8346 1.8450 2.6614 2.6630 2.7263 2.7393 2.8686 2.8755 4.3389 4.3396 6.8132 6.8139 7.0785 7.0790 7.8172 7.8179 9.8096 9.8102 k = 0.1859 0.5365 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5134 -47.5134 -36.7588 -36.7588 -36.5410 -36.5410 -11.2408 -11.2407 -10.6457 -10.6456 -10.6260 -10.6257 -10.4306 -10.4304 -9.6519 -9.6519 -2.1532 -2.1532 -1.5265 -1.5211 -1.4721 -1.4690 -1.3224 -1.3170 -1.1950 -1.1853 -0.6420 -0.6357 0.2265 0.2598 0.6329 0.6838 1.5079 1.5086 1.5622 1.5868 1.7826 1.7916 1.8170 1.8280 2.6633 2.6648 2.7392 2.7524 2.8706 2.8781 4.3419 4.3425 6.8631 6.8634 7.1270 7.1272 7.8216 7.8222 9.8419 9.8424 k = 0.1923 0.5550 0.5292 ( 6270 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7591 -36.7591 -36.5409 -36.5409 -11.2346 -11.2346 -10.6446 -10.6445 -10.6177 -10.6174 -10.4354 -10.4352 -9.6226 -9.6226 -2.2213 -2.2213 -1.5514 -1.5475 -1.4934 -1.4906 -1.3274 -1.3250 -1.1998 -1.1893 -0.6509 -0.6449 0.2448 0.2781 0.6227 0.6725 1.4949 1.4964 1.5624 1.5873 1.7671 1.7754 1.8005 1.8119 2.6648 2.6662 2.7515 2.7648 2.8716 2.8797 4.3445 4.3451 6.9100 6.9100 7.1721 7.1721 7.8262 7.8267 9.8700 9.8706 k = 0.1987 0.5735 0.5292 ( 6276 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7594 -36.7594 -36.5409 -36.5409 -11.2290 -11.2290 -10.6436 -10.6435 -10.6096 -10.6093 -10.4402 -10.4400 -9.5953 -9.5953 -2.2856 -2.2855 -1.5743 -1.5714 -1.5127 -1.5105 -1.3305 -1.3304 -1.2031 -1.1924 -0.6587 -0.6531 0.2628 0.2959 0.6122 0.6605 1.4828 1.4844 1.5650 1.5893 1.7522 1.7594 1.7855 1.7968 2.6661 2.6673 2.7631 2.7763 2.8718 2.8803 4.3469 4.3475 6.9532 6.9535 7.2132 7.2134 7.8310 7.8314 9.8944 9.8949 k = 0.2051 0.5920 0.5292 ( 6276 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7596 -36.7596 -36.5409 -36.5409 -11.2241 -11.2241 -10.6427 -10.6426 -10.6018 -10.6016 -10.4450 -10.4448 -9.5703 -9.5703 -2.3448 -2.3447 -1.5947 -1.5925 -1.5301 -1.5283 -1.3338 -1.3325 -1.2053 -1.1948 -0.6655 -0.6604 0.2805 0.3130 0.6016 0.6479 1.4719 1.4734 1.5694 1.5928 1.7379 1.7435 1.7721 1.7828 2.6672 2.6682 2.7740 2.7870 2.8713 2.8802 4.3490 4.3495 6.9926 6.9930 7.2501 7.2505 7.8358 7.8361 9.9153 9.9157 k = 0.2115 0.6105 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7598 -36.7598 -36.5408 -36.5408 -11.2198 -11.2198 -10.6419 -10.6418 -10.5945 -10.5943 -10.4497 -10.4495 -9.5479 -9.5479 -2.3979 -2.3978 -1.6125 -1.6108 -1.5455 -1.5441 -1.3359 -1.3338 -1.2067 -1.1969 -0.6714 -0.6668 0.2976 0.3291 0.5914 0.6349 1.4622 1.4635 1.5754 1.5974 1.7242 1.7279 1.7605 1.7702 2.6681 2.6689 2.7841 2.7968 2.8701 2.8793 4.3508 4.3512 7.0277 7.0283 7.2826 7.2830 7.8406 7.8408 9.9328 9.9332 k = 0.2179 0.6290 0.5292 ( 6268 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7599 -36.7599 -36.5408 -36.5408 -11.2161 -11.2161 -10.6412 -10.6411 -10.5878 -10.5876 -10.4542 -10.4540 -9.5284 -9.5284 -2.4440 -2.4440 -1.6275 -1.6263 -1.5588 -1.5577 -1.3371 -1.3346 -1.2073 -1.1986 -0.6763 -0.6724 0.3140 0.3436 0.5819 0.6217 1.4539 1.4550 1.5825 1.6031 1.7112 1.7125 1.7507 1.7590 2.6688 2.6696 2.7934 2.8055 2.8686 2.8777 4.3523 4.3527 7.0582 7.0588 7.3104 7.3108 7.8451 7.8453 9.9473 9.9477 k = 0.2244 0.6475 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7601 -36.7601 -36.5408 -36.5408 -11.2131 -11.2131 -10.6406 -10.6406 -10.5818 -10.5817 -10.4583 -10.4582 -9.5121 -9.5121 -2.4826 -2.4826 -1.6398 -1.6389 -1.5698 -1.5690 -1.3377 -1.3352 -1.2075 -1.2001 -0.6803 -0.6770 0.3294 0.3560 0.5738 0.6087 1.4470 1.4479 1.5908 1.6096 1.6976 1.6987 1.7428 1.7495 2.6695 2.6700 2.8018 2.8130 2.8668 2.8756 4.3535 4.3539 7.0837 7.0843 7.3332 7.3336 7.8493 7.8494 9.9589 9.9592 k = 0.2308 0.6660 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5408 -36.5408 -11.2108 -11.2108 -10.6402 -10.6401 -10.5769 -10.5767 -10.4618 -10.4617 -9.4992 -9.4992 -2.5132 -2.5132 -1.6493 -1.6487 -1.5784 -1.5778 -1.3378 -1.3356 -1.2072 -1.2014 -0.6833 -0.6808 0.3434 0.3656 0.5678 0.5963 1.4417 1.4424 1.6000 1.6167 1.6835 1.6868 1.7368 1.7418 2.6700 2.6704 2.8092 2.8190 2.8651 2.8730 4.3545 4.3548 7.1039 7.1043 7.3510 7.3513 7.8528 7.8528 9.9678 9.9680 k = 0.2372 0.6845 0.5292 ( 6256 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7602 -36.7602 -36.5407 -36.5407 -11.2091 -11.2091 -10.6399 -10.6398 -10.5731 -10.5730 -10.4646 -10.4645 -9.4898 -9.4898 -2.5353 -2.5352 -1.6561 -1.6557 -1.5846 -1.5842 -1.3376 -1.3361 -1.2067 -1.2027 -0.6853 -0.6836 0.3555 0.3716 0.5646 0.5850 1.4379 1.4384 1.6098 1.6237 1.6708 1.6758 1.7327 1.7360 2.6703 2.6706 2.8156 2.8230 2.8640 2.8702 4.3552 4.3554 7.1185 7.1188 7.3638 7.3640 7.8555 7.8555 9.9740 9.9742 k = 0.2436 0.7030 0.5292 ( 6264 PWs) bands (ev): -77.5616 -77.5616 -47.5135 -47.5135 -36.7603 -36.7603 -36.5407 -36.5407 -11.2081 -11.2081 -10.6397 -10.6396 -10.5706 -10.5706 -10.4663 -10.4663 -9.4842 -9.4842 -2.5486 -2.5486 -1.6601 -1.6599 -1.5883 -1.5881 -1.3373 -1.3365 -1.2059 -1.2039 -0.6863 -0.6855 0.3650 0.3736 0.5648 0.5755 1.4357 1.4359 1.6196 1.6287 1.6616 1.6662 1.7305 1.7322 2.6706 2.6707 2.8206 2.8247 2.8640 2.8675 4.3557 4.3558 7.1274 7.1276 7.3715 7.3716 7.8572 7.8572 9.9777 9.9778 k = 0.2500 0.7215 0.5292 ( 6276 PWs) bands (ev): -77.5616 -77.5616 -47.5136 -47.5136 -36.7604 -36.7604 -36.5408 -36.5408 -11.2078 -11.2078 -10.6396 -10.6396 -10.5698 -10.5698 -10.4669 -10.4669 -9.4823 -9.4823 -2.5531 -2.5531 -1.6614 -1.6614 -1.5895 -1.5895 -1.3369 -1.3369 -1.2049 -1.2049 -0.6864 -0.6864 0.3712 0.3712 0.5686 0.5686 1.4350 1.4350 1.6273 1.6273 1.6600 1.6600 1.7304 1.7304 2.6707 2.6707 2.8238 2.8238 2.8652 2.8652 4.3558 4.3558 7.1304 7.1304 7.3741 7.3741 7.8577 7.8577 9.9790 9.9790 Writing output data file ReNCl4.save init_run : 2.50s CPU 12.49s WALL ( 1 calls) electrons : 662.27s CPU 670.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.41s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 662.21s CPU 670.41s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.04s WALL ( 1 calls) v_h : 0.04s CPU 0.23s WALL ( 1 calls) v_xc : 0.18s CPU 0.60s WALL ( 1 calls) newd : 0.71s CPU 1.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 291 calls) cegterg : 583.58s CPU 586.92s WALL ( 291 calls) Called by sum_band: Called by *egterg: h_psi : 355.21s CPU 360.05s WALL ( 5670 calls) s_psi : 31.99s CPU 32.25s WALL ( 5670 calls) g_psi : 0.63s CPU 0.70s WALL ( 5088 calls) cdiaghg : 137.18s CPU 136.11s WALL ( 5379 calls) cegterg:over : 50.38s CPU 49.14s WALL ( 5088 calls) cegterg:upda : 12.66s CPU 14.17s WALL ( 5088 calls) cegterg:last : 11.76s CPU 12.18s WALL ( 1164 calls) Called by h_psi: h_psi:vloc : 294.18s CPU 297.42s WALL ( 5670 calls) h_psi:vnl : 60.76s CPU 61.96s WALL ( 5670 calls) add_vuspsi : 23.30s CPU 25.34s WALL ( 5670 calls) General routines calbec : 37.44s CPU 36.55s WALL ( 5670 calls) fft : 0.18s CPU 1.21s WALL ( 19 calls) ffts : 0.01s CPU 0.09s WALL ( 4 calls) fftw : 276.74s CPU 278.03s WALL ( 834460 calls) interpolate : 0.02s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 5.55s WALL ( 582 calls) Parallel routines fft_scatter : 137.02s CPU 135.01s WALL ( 834483 calls) PWSCF : 12m13.64s CPU 16m15.00s WALL This run was terminated on: 4:31:38 18Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=