Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxCuPx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 39 11 1111 605 98 Max 59 40 12 1115 620 100 Sum 2123 1421 425 40083 22115 3573 bravais-lattice index = 14 lattice parameter (alat) = 10.5598 a.u. unit-cell volume = 523.3741 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.559812 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.742006 celldm(5)= -0.742006 celldm(6)= 0.484011 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.484011 0.875062 0.000000 ) a(3) = ( -0.742006 -0.437531 0.507931 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.553117 0.984385 ) b(2) = ( 0.000000 1.142777 0.984385 ) b(3) = ( 0.000000 0.000000 1.968770 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Cu 11.00 63.54600 Cu( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0000000 0.0000000 0.0175783), wk = 0.0027624 k( 3) = ( 0.0000000 0.0000000 0.0351566), wk = 0.0027624 k( 4) = ( 0.0000000 0.0000000 0.0527349), wk = 0.0027624 k( 5) = ( 0.0000000 0.0000000 0.0703132), wk = 0.0027624 k( 6) = ( 0.0000000 0.0000000 0.0878915), wk = 0.0027624 k( 7) = ( 0.0000000 0.0000000 0.1054698), wk = 0.0027624 k( 8) = ( 0.0000000 0.0000000 0.1230481), wk = 0.0027624 k( 9) = ( 0.0000000 0.0000000 0.1406264), wk = 0.0027624 k( 10) = ( 0.0000000 0.0000000 0.1582047), wk = 0.0027624 k( 11) = ( 0.0000000 0.0000000 0.1757830), wk = 0.0027624 k( 12) = ( 0.0000000 0.0000000 0.1933613), wk = 0.0027624 k( 13) = ( 0.0000000 0.0000000 0.2109396), wk = 0.0027624 k( 14) = ( 0.0000000 0.0000000 0.2285179), wk = 0.0027624 k( 15) = ( 0.0000000 0.0000000 0.2460962), wk = 0.0027624 k( 16) = ( 0.0000000 0.0000000 0.2636745), wk = 0.0027624 k( 17) = ( 0.0000000 0.0000000 0.2812528), wk = 0.0027624 k( 18) = ( 0.0000000 0.0000000 0.2988311), wk = 0.0027624 k( 19) = ( 0.0000000 0.0000000 0.3164095), wk = 0.0027624 k( 20) = ( 0.0000000 0.0000000 0.3339878), wk = 0.0027624 k( 21) = ( 0.0000000 0.0000000 0.3515661), wk = 0.0027624 k( 22) = ( 0.0000000 0.0000000 0.3691444), wk = 0.0027624 k( 23) = ( 0.0000000 0.0000000 0.3867227), wk = 0.0027624 k( 24) = ( 0.0000000 0.0000000 0.4043010), wk = 0.0027624 k( 25) = ( 0.0000000 0.0000000 0.4218793), wk = 0.0027624 k( 26) = ( 0.0000000 0.0000000 0.4394576), wk = 0.0027624 k( 27) = ( 0.0000000 0.0000000 0.4570359), wk = 0.0027624 k( 28) = ( 0.0000000 0.0000000 0.4746142), wk = 0.0027624 k( 29) = ( 0.0000000 0.0000000 0.4921925), wk = 0.0027624 k( 30) = ( 0.0000000 0.0000000 0.5097708), wk = 0.0027624 k( 31) = ( 0.0000000 0.0000000 0.5273491), wk = 0.0027624 k( 32) = ( 0.0000000 0.0000000 0.5449274), wk = 0.0027624 k( 33) = ( 0.0000000 0.0000000 0.5625057), wk = 0.0027624 k( 34) = ( 0.0000000 0.0000000 0.5800840), wk = 0.0027624 k( 35) = ( 0.0000000 0.0000000 0.5976623), wk = 0.0027624 k( 36) = ( 0.0000000 0.0000000 0.6152406), wk = 0.0027624 k( 37) = ( 0.0000000 0.0000000 0.6328189), wk = 0.0027624 k( 38) = ( 0.0000000 0.0000000 0.6503972), wk = 0.0027624 k( 39) = ( 0.0000000 0.0000000 0.6679755), wk = 0.0027624 k( 40) = ( 0.0000000 0.0000000 0.6855538), wk = 0.0027624 k( 41) = ( 0.0000000 0.0000000 0.7031321), wk = 0.0027624 k( 42) = ( 0.0000000 0.0000000 0.7207104), wk = 0.0027624 k( 43) = ( 0.0000000 0.0000000 0.7382887), wk = 0.0027624 k( 44) = ( 0.0000000 0.0000000 0.7558670), wk = 0.0027624 k( 45) = ( 0.0000000 0.0000000 0.7734453), wk = 0.0027624 k( 46) = ( 0.0000000 0.0000000 0.7910236), wk = 0.0027624 k( 47) = ( 0.0000000 0.0000000 0.8086020), wk = 0.0027624 k( 48) = ( 0.0000000 0.0000000 0.8261803), wk = 0.0027624 k( 49) = ( 0.0000000 0.0000000 0.8437586), wk = 0.0027624 k( 50) = ( 0.0000000 0.0000000 0.8613369), wk = 0.0027624 k( 51) = ( 0.0000000 0.0000000 0.8789152), wk = 0.0027624 k( 52) = ( 0.0000000 0.0000000 0.8964935), wk = 0.0027624 k( 53) = ( 0.0000000 0.0000000 0.9140718), wk = 0.0027624 k( 54) = ( 0.0000000 0.0000000 0.9316501), wk = 0.0027624 k( 55) = ( 0.0000000 0.0000000 0.9492284), wk = 0.0027624 k( 56) = ( 0.0000000 0.0000000 0.9668067), wk = 0.0027624 k( 57) = ( 0.0000000 0.0000000 0.9843850), wk = 0.0027624 k( 58) = ( 0.0000000 0.0000000 0.9843850), wk = 0.0027624 k( 59) = ( -0.0086925 0.0147415 0.9843850), wk = 0.0027624 k( 60) = ( -0.0173849 0.0294830 0.9843850), wk = 0.0027624 k( 61) = ( -0.0260774 0.0442245 0.9843850), wk = 0.0027624 k( 62) = ( -0.0347698 0.0589660 0.9843850), wk = 0.0027624 k( 63) = ( -0.0434623 0.0737075 0.9843850), wk = 0.0027624 k( 64) = ( -0.0521548 0.0884489 0.9843850), wk = 0.0027624 k( 65) = ( -0.0608472 0.1031904 0.9843850), wk = 0.0027624 k( 66) = ( -0.0695397 0.1179319 0.9843850), wk = 0.0027624 k( 67) = ( -0.0782322 0.1326734 0.9843850), wk = 0.0027624 k( 68) = ( -0.0869246 0.1474149 0.9843850), wk = 0.0027624 k( 69) = ( -0.0869246 0.1474149 0.9843850), wk = 0.0027624 k( 70) = ( -0.0931833 0.1580290 0.9720630), wk = 0.0027624 k( 71) = ( -0.0994421 0.1686432 0.9597410), wk = 0.0027624 k( 72) = ( -0.1057008 0.1792573 0.9474191), wk = 0.0027624 k( 73) = ( -0.1119595 0.1898714 0.9350971), wk = 0.0027624 k( 74) = ( -0.1182182 0.2004855 0.9227751), wk = 0.0027624 k( 75) = ( -0.1244769 0.2110996 0.9104531), wk = 0.0027624 k( 76) = ( -0.1307356 0.2217137 0.8981311), wk = 0.0027624 k( 77) = ( -0.1369944 0.2323279 0.8858092), wk = 0.0027624 k( 78) = ( -0.1432531 0.2429420 0.8734872), wk = 0.0027624 k( 79) = ( -0.1495118 0.2535561 0.8611652), wk = 0.0027624 k( 80) = ( -0.1557705 0.2641702 0.8488432), wk = 0.0027624 k( 81) = ( -0.1620292 0.2747843 0.8365213), wk = 0.0027624 k( 82) = ( -0.1682879 0.2853985 0.8241993), wk = 0.0027624 k( 83) = ( -0.1745467 0.2960126 0.8118773), wk = 0.0027624 k( 84) = ( -0.1808054 0.3066267 0.7995553), wk = 0.0027624 k( 85) = ( -0.1870641 0.3172408 0.7872334), wk = 0.0027624 k( 86) = ( -0.1933228 0.3278549 0.7749114), wk = 0.0027624 k( 87) = ( -0.1995815 0.3384691 0.7625894), wk = 0.0027624 k( 88) = ( -0.2058403 0.3490832 0.7502674), wk = 0.0027624 k( 89) = ( -0.2120990 0.3596973 0.7379455), wk = 0.0027624 k( 90) = ( -0.2183577 0.3703114 0.7256235), wk = 0.0027624 k( 91) = ( -0.2246164 0.3809255 0.7133015), wk = 0.0027624 k( 92) = ( -0.2308751 0.3915397 0.7009795), wk = 0.0027624 k( 93) = ( -0.2371339 0.4021538 0.6886576), wk = 0.0027624 k( 94) = ( -0.2433926 0.4127679 0.6763356), wk = 0.0027624 k( 95) = ( -0.2496513 0.4233820 0.6640136), wk = 0.0027624 k( 96) = ( -0.2559100 0.4339961 0.6516916), wk = 0.0027624 k( 97) = ( -0.2621687 0.4446103 0.6393697), wk = 0.0027624 k( 98) = ( -0.2684274 0.4552244 0.6270477), wk = 0.0027624 k( 99) = ( -0.2746862 0.4658385 0.6147257), wk = 0.0027624 k( 100) = ( -0.2809449 0.4764526 0.6024037), wk = 0.0027624 k( 101) = ( -0.2872036 0.4870667 0.5900818), wk = 0.0027624 k( 102) = ( -0.2934623 0.4976809 0.5777598), wk = 0.0027624 k( 103) = ( -0.2934623 0.4976809 0.5777598), wk = 0.0027624 k( 104) = ( -0.2870827 0.4868617 0.5651998), wk = 0.0027624 k( 105) = ( -0.2807031 0.4760426 0.5526398), wk = 0.0027624 k( 106) = ( -0.2743235 0.4652234 0.5400798), wk = 0.0027624 k( 107) = ( -0.2679438 0.4544043 0.5275198), wk = 0.0027624 k( 108) = ( -0.2615642 0.4435851 0.5149598), wk = 0.0027624 k( 109) = ( -0.2551846 0.4327660 0.5023998), wk = 0.0027624 k( 110) = ( -0.2488050 0.4219468 0.4898398), wk = 0.0027624 k( 111) = ( -0.2424254 0.4111277 0.4772798), wk = 0.0027624 k( 112) = ( -0.2360458 0.4003085 0.4647198), wk = 0.0027624 k( 113) = ( -0.2296662 0.3894894 0.4521598), wk = 0.0027624 k( 114) = ( -0.2232865 0.3786702 0.4395998), wk = 0.0027624 k( 115) = ( -0.2169069 0.3678511 0.4270398), wk = 0.0027624 k( 116) = ( -0.2105273 0.3570319 0.4144798), wk = 0.0027624 k( 117) = ( -0.2041477 0.3462128 0.4019198), wk = 0.0027624 k( 118) = ( -0.1977681 0.3353936 0.3893599), wk = 0.0027624 k( 119) = ( -0.1913885 0.3245745 0.3767999), wk = 0.0027624 k( 120) = ( -0.1850089 0.3137553 0.3642399), wk = 0.0027624 k( 121) = ( -0.1786292 0.3029362 0.3516799), wk = 0.0027624 k( 122) = ( -0.1722496 0.2921170 0.3391199), wk = 0.0027624 k( 123) = ( -0.1658700 0.2812979 0.3265599), wk = 0.0027624 k( 124) = ( -0.1594904 0.2704787 0.3139999), wk = 0.0027624 k( 125) = ( -0.1531108 0.2596596 0.3014399), wk = 0.0027624 k( 126) = ( -0.1467312 0.2488404 0.2888799), wk = 0.0027624 k( 127) = ( -0.1403515 0.2380213 0.2763199), wk = 0.0027624 k( 128) = ( -0.1339719 0.2272021 0.2637599), wk = 0.0027624 k( 129) = ( -0.1275923 0.2163830 0.2511999), wk = 0.0027624 k( 130) = ( -0.1212127 0.2055638 0.2386399), wk = 0.0027624 k( 131) = ( -0.1148331 0.1947447 0.2260799), wk = 0.0027624 k( 132) = ( -0.1084535 0.1839255 0.2135199), wk = 0.0027624 k( 133) = ( -0.1020738 0.1731064 0.2009599), wk = 0.0027624 k( 134) = ( -0.0956942 0.1622872 0.1883999), wk = 0.0027624 k( 135) = ( -0.0893146 0.1514681 0.1758399), wk = 0.0027624 k( 136) = ( -0.0829350 0.1406489 0.1632799), wk = 0.0027624 k( 137) = ( -0.0765554 0.1298298 0.1507200), wk = 0.0027624 k( 138) = ( -0.0701758 0.1190106 0.1381599), wk = 0.0027624 k( 139) = ( -0.0637961 0.1081915 0.1255999), wk = 0.0027624 k( 140) = ( -0.0574165 0.0973723 0.1130400), wk = 0.0027624 k( 141) = ( -0.0510369 0.0865532 0.1004800), wk = 0.0027624 k( 142) = ( -0.0446573 0.0757340 0.0879200), wk = 0.0027624 k( 143) = ( -0.0382777 0.0649149 0.0753600), wk = 0.0027624 k( 144) = ( -0.0318981 0.0540958 0.0628000), wk = 0.0027624 k( 145) = ( -0.0255185 0.0432766 0.0502400), wk = 0.0027624 k( 146) = ( -0.0191388 0.0324575 0.0376800), wk = 0.0027624 k( 147) = ( -0.0127592 0.0216383 0.0251200), wk = 0.0027624 k( 148) = ( -0.0063796 0.0108192 0.0125600), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 151) = ( 0.0151515 0.0089342 -0.0000000), wk = 0.0027624 k( 152) = ( 0.0303030 0.0178685 -0.0000000), wk = 0.0027624 k( 153) = ( 0.0454546 0.0268027 -0.0000000), wk = 0.0027624 k( 154) = ( 0.0606061 0.0357369 -0.0000000), wk = 0.0027624 k( 155) = ( 0.0757576 0.0446712 -0.0000000), wk = 0.0027624 k( 156) = ( 0.0909091 0.0536054 -0.0000000), wk = 0.0027624 k( 157) = ( 0.1060606 0.0625397 -0.0000000), wk = 0.0027624 k( 158) = ( 0.1212121 0.0714739 -0.0000000), wk = 0.0027624 k( 159) = ( 0.1363636 0.0804081 -0.0000000), wk = 0.0027624 k( 160) = ( 0.1515151 0.0893424 -0.0000000), wk = 0.0027624 k( 161) = ( 0.1666667 0.0982766 -0.0000000), wk = 0.0027624 k( 162) = ( 0.1818182 0.1072108 -0.0000000), wk = 0.0027624 k( 163) = ( 0.1969697 0.1161451 -0.0000000), wk = 0.0027624 k( 164) = ( 0.2121212 0.1250793 -0.0000000), wk = 0.0027624 k( 165) = ( 0.2272727 0.1340136 -0.0000000), wk = 0.0027624 k( 166) = ( 0.2424242 0.1429478 -0.0000000), wk = 0.0027624 k( 167) = ( 0.2575758 0.1518820 -0.0000000), wk = 0.0027624 k( 168) = ( 0.2727273 0.1608163 -0.0000000), wk = 0.0027624 k( 169) = ( 0.2878788 0.1697505 -0.0000000), wk = 0.0027624 k( 170) = ( 0.3030303 0.1786847 -0.0000000), wk = 0.0027624 k( 171) = ( 0.3181818 0.1876190 -0.0000000), wk = 0.0027624 k( 172) = ( 0.3333333 0.1965532 -0.0000000), wk = 0.0027624 k( 173) = ( 0.3484849 0.2054874 -0.0000000), wk = 0.0027624 k( 174) = ( 0.3636364 0.2144217 -0.0000000), wk = 0.0027624 k( 175) = ( 0.3787879 0.2233559 -0.0000000), wk = 0.0027624 k( 176) = ( 0.3939394 0.2322902 -0.0000000), wk = 0.0027624 k( 177) = ( 0.4090909 0.2412244 -0.0000000), wk = 0.0027624 k( 178) = ( 0.4242424 0.2501586 -0.0000000), wk = 0.0027624 k( 179) = ( 0.4393939 0.2590929 -0.0000000), wk = 0.0027624 k( 180) = ( 0.4545455 0.2680271 -0.0000000), wk = 0.0027624 k( 181) = ( 0.4696970 0.2769613 -0.0000000), wk = 0.0027624 k( 182) = ( 0.4848485 0.2858956 -0.0000000), wk = 0.0027624 k( 183) = ( 0.5000000 0.2948298 -0.0000000), wk = 0.0027624 k( 184) = ( 0.5000000 0.2948298 -0.0000000), wk = 0.0027624 k( 185) = ( 0.4937413 0.3054439 0.0123220), wk = 0.0027624 k( 186) = ( 0.4874826 0.3160581 0.0246440), wk = 0.0027624 k( 187) = ( 0.4812239 0.3266722 0.0369659), wk = 0.0027624 k( 188) = ( 0.4749651 0.3372863 0.0492879), wk = 0.0027624 k( 189) = ( 0.4687064 0.3479004 0.0616099), wk = 0.0027624 k( 190) = ( 0.4624477 0.3585145 0.0739319), wk = 0.0027624 k( 191) = ( 0.4561890 0.3691287 0.0862538), wk = 0.0027624 k( 192) = ( 0.4499303 0.3797428 0.0985758), wk = 0.0027624 k( 193) = ( 0.4436715 0.3903569 0.1108978), wk = 0.0027624 k( 194) = ( 0.4374128 0.4009710 0.1232198), wk = 0.0027624 k( 195) = ( 0.4311541 0.4115851 0.1355417), wk = 0.0027624 k( 196) = ( 0.4248954 0.4221992 0.1478637), wk = 0.0027624 k( 197) = ( 0.4186367 0.4328134 0.1601857), wk = 0.0027624 k( 198) = ( 0.4123779 0.4434275 0.1725077), wk = 0.0027624 k( 199) = ( 0.4061192 0.4540416 0.1848296), wk = 0.0027624 k( 200) = ( 0.3998605 0.4646557 0.1971516), wk = 0.0027624 k( 201) = ( 0.3936018 0.4752698 0.2094736), wk = 0.0027624 k( 202) = ( 0.3873431 0.4858840 0.2217956), wk = 0.0027624 k( 203) = ( 0.3810844 0.4964981 0.2341175), wk = 0.0027624 k( 204) = ( 0.3748256 0.5071122 0.2464395), wk = 0.0027624 k( 205) = ( 0.3685669 0.5177263 0.2587615), wk = 0.0027624 k( 206) = ( 0.3623082 0.5283404 0.2710835), wk = 0.0027624 k( 207) = ( 0.3560495 0.5389546 0.2834054), wk = 0.0027624 k( 208) = ( 0.3497908 0.5495687 0.2957274), wk = 0.0027624 k( 209) = ( 0.3435320 0.5601828 0.3080494), wk = 0.0027624 k( 210) = ( 0.3372733 0.5707969 0.3203714), wk = 0.0027624 k( 211) = ( 0.3310146 0.5814110 0.3326933), wk = 0.0027624 k( 212) = ( 0.3247559 0.5920252 0.3450153), wk = 0.0027624 k( 213) = ( 0.3184972 0.6026393 0.3573373), wk = 0.0027624 k( 214) = ( 0.3122385 0.6132534 0.3696593), wk = 0.0027624 k( 215) = ( 0.3059797 0.6238675 0.3819812), wk = 0.0027624 k( 216) = ( 0.2997210 0.6344816 0.3943032), wk = 0.0027624 k( 217) = ( 0.2934623 0.6450958 0.4066252), wk = 0.0027624 k( 218) = ( 0.2934623 0.6450958 0.4066252), wk = 0.0027624 k( 219) = ( 0.2771589 0.6410009 0.4113789), wk = 0.0027624 k( 220) = ( 0.2608554 0.6369060 0.4161327), wk = 0.0027624 k( 221) = ( 0.2445519 0.6328112 0.4208864), wk = 0.0027624 k( 222) = ( 0.2282485 0.6287163 0.4256402), wk = 0.0027624 k( 223) = ( 0.2119450 0.6246215 0.4303939), wk = 0.0027624 k( 224) = ( 0.1956415 0.6205266 0.4351476), wk = 0.0027624 k( 225) = ( 0.1793381 0.6164318 0.4399014), wk = 0.0027624 k( 226) = ( 0.1630346 0.6123369 0.4446551), wk = 0.0027624 k( 227) = ( 0.1467312 0.6082420 0.4494089), wk = 0.0027624 k( 228) = ( 0.1304277 0.6041472 0.4541626), wk = 0.0027624 k( 229) = ( 0.1141242 0.6000523 0.4589163), wk = 0.0027624 k( 230) = ( 0.0978208 0.5959575 0.4636701), wk = 0.0027624 k( 231) = ( 0.0815173 0.5918626 0.4684238), wk = 0.0027624 k( 232) = ( 0.0652139 0.5877677 0.4731775), wk = 0.0027624 k( 233) = ( 0.0489104 0.5836729 0.4779313), wk = 0.0027624 k( 234) = ( 0.0326069 0.5795780 0.4826850), wk = 0.0027624 k( 235) = ( 0.0163035 0.5754832 0.4874388), wk = 0.0027624 k( 236) = ( 0.0000000 0.5713883 0.4921925), wk = 0.0027624 k( 237) = ( 0.0000000 0.5713883 0.4921925), wk = 0.0027624 k( 238) = ( 0.0062500 0.5607890 0.5044973), wk = 0.0027624 k( 239) = ( 0.0125000 0.5501896 0.5168021), wk = 0.0027624 k( 240) = ( 0.0187500 0.5395903 0.5291069), wk = 0.0027624 k( 241) = ( 0.0250000 0.5289910 0.5414117), wk = 0.0027624 k( 242) = ( 0.0312500 0.5183916 0.5537166), wk = 0.0027624 k( 243) = ( 0.0375000 0.5077923 0.5660214), wk = 0.0027624 k( 244) = ( 0.0437500 0.4971930 0.5783262), wk = 0.0027624 k( 245) = ( 0.0500000 0.4865936 0.5906310), wk = 0.0027624 k( 246) = ( 0.0562500 0.4759943 0.6029358), wk = 0.0027624 k( 247) = ( 0.0625000 0.4653950 0.6152406), wk = 0.0027624 k( 248) = ( 0.0687500 0.4547956 0.6275454), wk = 0.0027624 k( 249) = ( 0.0750000 0.4441963 0.6398502), wk = 0.0027624 k( 250) = ( 0.0812500 0.4335970 0.6521550), wk = 0.0027624 k( 251) = ( 0.0875000 0.4229976 0.6644599), wk = 0.0027624 k( 252) = ( 0.0937500 0.4123983 0.6767647), wk = 0.0027624 k( 253) = ( 0.1000000 0.4017989 0.6890695), wk = 0.0027624 k( 254) = ( 0.1062500 0.3911996 0.7013743), wk = 0.0027624 k( 255) = ( 0.1125000 0.3806003 0.7136791), wk = 0.0027624 k( 256) = ( 0.1187500 0.3700009 0.7259839), wk = 0.0027624 k( 257) = ( 0.1250000 0.3594016 0.7382887), wk = 0.0027624 k( 258) = ( 0.1312500 0.3488023 0.7505935), wk = 0.0027624 k( 259) = ( 0.1375000 0.3382029 0.7628984), wk = 0.0027624 k( 260) = ( 0.1437500 0.3276036 0.7752032), wk = 0.0027624 k( 261) = ( 0.1500000 0.3170043 0.7875080), wk = 0.0027624 k( 262) = ( 0.1562500 0.3064049 0.7998128), wk = 0.0027624 k( 263) = ( 0.1625000 0.2958056 0.8121176), wk = 0.0027624 k( 264) = ( 0.1687500 0.2852063 0.8244224), wk = 0.0027624 k( 265) = ( 0.1750000 0.2746069 0.8367272), wk = 0.0027624 k( 266) = ( 0.1812500 0.2640076 0.8490320), wk = 0.0027624 k( 267) = ( 0.1875000 0.2534083 0.8613369), wk = 0.0027624 k( 268) = ( 0.1937500 0.2428089 0.8736417), wk = 0.0027624 k( 269) = ( 0.2000000 0.2322096 0.8859465), wk = 0.0027624 k( 270) = ( 0.2062500 0.2216103 0.8982513), wk = 0.0027624 k( 271) = ( 0.2125000 0.2110109 0.9105561), wk = 0.0027624 k( 272) = ( 0.2187500 0.2004116 0.9228609), wk = 0.0027624 k( 273) = ( 0.2250000 0.1898122 0.9351657), wk = 0.0027624 k( 274) = ( 0.2312500 0.1792129 0.9474705), wk = 0.0027624 k( 275) = ( 0.2375000 0.1686136 0.9597754), wk = 0.0027624 k( 276) = ( 0.2437500 0.1580142 0.9720802), wk = 0.0027624 k( 277) = ( 0.2500000 0.1474149 0.9843850), wk = 0.0027624 k( 278) = ( 0.2500000 0.1474149 0.9843850), wk = 0.0027624 k( 279) = ( 0.2631579 0.1551736 0.9753779), wk = 0.0027624 k( 280) = ( 0.2763158 0.1629323 0.9663708), wk = 0.0027624 k( 281) = ( 0.2894737 0.1706909 0.9573637), wk = 0.0027624 k( 282) = ( 0.3026316 0.1784496 0.9483566), wk = 0.0027624 k( 283) = ( 0.3157895 0.1862083 0.9393496), wk = 0.0027624 k( 284) = ( 0.3289474 0.1939670 0.9303425), wk = 0.0027624 k( 285) = ( 0.3421053 0.2017257 0.9213354), wk = 0.0027624 k( 286) = ( 0.3552632 0.2094843 0.9123283), wk = 0.0027624 k( 287) = ( 0.3684211 0.2172430 0.9033212), wk = 0.0027624 k( 288) = ( 0.3815789 0.2250017 0.8943141), wk = 0.0027624 k( 289) = ( 0.3947368 0.2327604 0.8853071), wk = 0.0027624 k( 290) = ( 0.4078947 0.2405191 0.8763000), wk = 0.0027624 k( 291) = ( 0.4210526 0.2482777 0.8672929), wk = 0.0027624 k( 292) = ( 0.4342105 0.2560364 0.8582858), wk = 0.0027624 k( 293) = ( 0.4473684 0.2637951 0.8492787), wk = 0.0027624 k( 294) = ( 0.4605263 0.2715538 0.8402716), wk = 0.0027624 k( 295) = ( 0.4736842 0.2793125 0.8312646), wk = 0.0027624 k( 296) = ( 0.4868421 0.2870711 0.8222575), wk = 0.0027624 k( 297) = ( 0.5000000 0.2948298 0.8132504), wk = 0.0027624 k( 298) = ( 0.5000000 0.2948298 0.8132504), wk = 0.0027624 k( 299) = ( 0.5000000 0.2948298 0.7955710), wk = 0.0027624 k( 300) = ( 0.5000000 0.2948298 0.7778917), wk = 0.0027624 k( 301) = ( 0.5000000 0.2948298 0.7602123), wk = 0.0027624 k( 302) = ( 0.5000000 0.2948298 0.7425330), wk = 0.0027624 k( 303) = ( 0.5000000 0.2948298 0.7248536), wk = 0.0027624 k( 304) = ( 0.5000000 0.2948298 0.7071743), wk = 0.0027624 k( 305) = ( 0.5000000 0.2948298 0.6894949), wk = 0.0027624 k( 306) = ( 0.5000000 0.2948298 0.6718155), wk = 0.0027624 k( 307) = ( 0.5000000 0.2948298 0.6541362), wk = 0.0027624 k( 308) = ( 0.5000000 0.2948298 0.6364568), wk = 0.0027624 k( 309) = ( 0.5000000 0.2948298 0.6187775), wk = 0.0027624 k( 310) = ( 0.5000000 0.2948298 0.6010981), wk = 0.0027624 k( 311) = ( 0.5000000 0.2948298 0.5834188), wk = 0.0027624 k( 312) = ( 0.5000000 0.2948298 0.5657394), wk = 0.0027624 k( 313) = ( 0.5000000 0.2948298 0.5480601), wk = 0.0027624 k( 314) = ( 0.5000000 0.2948298 0.5303807), wk = 0.0027624 k( 315) = ( 0.5000000 0.2948298 0.5127013), wk = 0.0027624 k( 316) = ( 0.5000000 0.2948298 0.4950220), wk = 0.0027624 k( 317) = ( 0.5000000 0.2948298 0.4773426), wk = 0.0027624 k( 318) = ( 0.5000000 0.2948298 0.4596633), wk = 0.0027624 k( 319) = ( 0.5000000 0.2948298 0.4419839), wk = 0.0027624 k( 320) = ( 0.5000000 0.2948298 0.4243046), wk = 0.0027624 k( 321) = ( 0.5000000 0.2948298 0.4066252), wk = 0.0027624 k( 322) = ( 0.5000000 0.2948298 0.3889458), wk = 0.0027624 k( 323) = ( 0.5000000 0.2948298 0.3712665), wk = 0.0027624 k( 324) = ( 0.5000000 0.2948298 0.3535871), wk = 0.0027624 k( 325) = ( 0.5000000 0.2948298 0.3359078), wk = 0.0027624 k( 326) = ( 0.5000000 0.2948298 0.3182284), wk = 0.0027624 k( 327) = ( 0.5000000 0.2948298 0.3005491), wk = 0.0027624 k( 328) = ( 0.5000000 0.2948298 0.2828697), wk = 0.0027624 k( 329) = ( 0.5000000 0.2948298 0.2651903), wk = 0.0027624 k( 330) = ( 0.5000000 0.2948298 0.2475110), wk = 0.0027624 k( 331) = ( 0.5000000 0.2948298 0.2298316), wk = 0.0027624 k( 332) = ( 0.5000000 0.2948298 0.2121523), wk = 0.0027624 k( 333) = ( 0.5000000 0.2948298 0.1944729), wk = 0.0027624 k( 334) = ( 0.5000000 0.2948298 0.1767936), wk = 0.0027624 k( 335) = ( 0.5000000 0.2948298 0.1591142), wk = 0.0027624 k( 336) = ( 0.5000000 0.2948298 0.1414349), wk = 0.0027624 k( 337) = ( 0.5000000 0.2948298 0.1237555), wk = 0.0027624 k( 338) = ( 0.5000000 0.2948298 0.1060761), wk = 0.0027624 k( 339) = ( 0.5000000 0.2948298 0.0883968), wk = 0.0027624 k( 340) = ( 0.5000000 0.2948298 0.0707174), wk = 0.0027624 k( 341) = ( 0.5000000 0.2948298 0.0530381), wk = 0.0027624 k( 342) = ( 0.5000000 0.2948298 0.0353587), wk = 0.0027624 k( 343) = ( 0.5000000 0.2948298 0.0176794), wk = 0.0027624 k( 344) = ( 0.5000000 0.2948298 -0.0000000), wk = 0.0027624 k( 345) = ( 0.0000000 0.0000000 0.9843850), wk = 0.0027624 k( 346) = ( 0.0147059 0.0086715 0.9843850), wk = 0.0027624 k( 347) = ( 0.0294118 0.0173429 0.9843850), wk = 0.0027624 k( 348) = ( 0.0441177 0.0260144 0.9843850), wk = 0.0027624 k( 349) = ( 0.0588235 0.0346859 0.9843850), wk = 0.0027624 k( 350) = ( 0.0735294 0.0433573 0.9843850), wk = 0.0027624 k( 351) = ( 0.0882353 0.0520288 0.9843850), wk = 0.0027624 k( 352) = ( 0.1029412 0.0607003 0.9843850), wk = 0.0027624 k( 353) = ( 0.1176471 0.0693717 0.9843850), wk = 0.0027624 k( 354) = ( 0.1323529 0.0780432 0.9843850), wk = 0.0027624 k( 355) = ( 0.1470588 0.0867146 0.9843850), wk = 0.0027624 k( 356) = ( 0.1617647 0.0953861 0.9843850), wk = 0.0027624 k( 357) = ( 0.1764706 0.1040576 0.9843850), wk = 0.0027624 k( 358) = ( 0.1911765 0.1127290 0.9843850), wk = 0.0027624 k( 359) = ( 0.2058823 0.1214005 0.9843850), wk = 0.0027624 k( 360) = ( 0.2205882 0.1300720 0.9843850), wk = 0.0027624 k( 361) = ( 0.2352941 0.1387434 0.9843850), wk = 0.0027624 k( 362) = ( 0.2500000 0.1474149 0.9843850), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0027624 k( 3) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027624 k( 4) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0027624 k( 5) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027624 k( 6) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0027624 k( 7) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027624 k( 8) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027624 k( 9) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027624 k( 10) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0027624 k( 11) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027624 k( 12) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0027624 k( 13) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027624 k( 14) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0027624 k( 15) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027624 k( 16) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0027624 k( 17) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027624 k( 18) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0027624 k( 19) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027624 k( 20) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0027624 k( 21) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027624 k( 22) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027624 k( 23) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027624 k( 24) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0027624 k( 25) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027624 k( 26) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0027624 k( 27) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027624 k( 28) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0027624 k( 29) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027624 k( 30) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0027624 k( 31) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027624 k( 32) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0027624 k( 33) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027624 k( 34) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0027624 k( 35) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027624 k( 36) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027624 k( 37) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027624 k( 38) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0027624 k( 39) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027624 k( 40) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0027624 k( 41) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027624 k( 42) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0027624 k( 43) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027624 k( 44) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0027624 k( 45) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027624 k( 46) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0027624 k( 47) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027624 k( 48) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0027624 k( 49) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027624 k( 50) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027624 k( 51) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027624 k( 52) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0027624 k( 53) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027624 k( 54) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0027624 k( 55) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027624 k( 56) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0027624 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 59) = ( -0.0086925 0.0086925 0.5000000), wk = 0.0027624 k( 60) = ( -0.0173849 0.0173849 0.5000000), wk = 0.0027624 k( 61) = ( -0.0260774 0.0260774 0.5000000), wk = 0.0027624 k( 62) = ( -0.0347698 0.0347698 0.5000000), wk = 0.0027624 k( 63) = ( -0.0434623 0.0434623 0.5000000), wk = 0.0027624 k( 64) = ( -0.0521548 0.0521548 0.5000000), wk = 0.0027624 k( 65) = ( -0.0608472 0.0608472 0.5000000), wk = 0.0027624 k( 66) = ( -0.0695397 0.0695397 0.5000000), wk = 0.0027624 k( 67) = ( -0.0782322 0.0782322 0.5000000), wk = 0.0027624 k( 68) = ( -0.0869246 0.0869246 0.5000000), wk = 0.0027624 k( 69) = ( -0.0869246 0.0869246 0.5000000), wk = 0.0027624 k( 70) = ( -0.0931833 0.0931833 0.4937413), wk = 0.0027624 k( 71) = ( -0.0994421 0.0994421 0.4874826), wk = 0.0027624 k( 72) = ( -0.1057008 0.1057008 0.4812239), wk = 0.0027624 k( 73) = ( -0.1119595 0.1119595 0.4749651), wk = 0.0027624 k( 74) = ( -0.1182182 0.1182182 0.4687064), wk = 0.0027624 k( 75) = ( -0.1244769 0.1244769 0.4624477), wk = 0.0027624 k( 76) = ( -0.1307356 0.1307356 0.4561890), wk = 0.0027624 k( 77) = ( -0.1369944 0.1369944 0.4499303), wk = 0.0027624 k( 78) = ( -0.1432531 0.1432531 0.4436715), wk = 0.0027624 k( 79) = ( -0.1495118 0.1495118 0.4374128), wk = 0.0027624 k( 80) = ( -0.1557705 0.1557705 0.4311541), wk = 0.0027624 k( 81) = ( -0.1620292 0.1620292 0.4248954), wk = 0.0027624 k( 82) = ( -0.1682879 0.1682879 0.4186367), wk = 0.0027624 k( 83) = ( -0.1745467 0.1745467 0.4123779), wk = 0.0027624 k( 84) = ( -0.1808054 0.1808054 0.4061192), wk = 0.0027624 k( 85) = ( -0.1870641 0.1870641 0.3998605), wk = 0.0027624 k( 86) = ( -0.1933228 0.1933228 0.3936018), wk = 0.0027624 k( 87) = ( -0.1995815 0.1995815 0.3873431), wk = 0.0027624 k( 88) = ( -0.2058403 0.2058403 0.3810844), wk = 0.0027624 k( 89) = ( -0.2120990 0.2120990 0.3748256), wk = 0.0027624 k( 90) = ( -0.2183577 0.2183577 0.3685669), wk = 0.0027624 k( 91) = ( -0.2246164 0.2246164 0.3623082), wk = 0.0027624 k( 92) = ( -0.2308751 0.2308751 0.3560495), wk = 0.0027624 k( 93) = ( -0.2371339 0.2371339 0.3497908), wk = 0.0027624 k( 94) = ( -0.2433926 0.2433926 0.3435320), wk = 0.0027624 k( 95) = ( -0.2496513 0.2496513 0.3372733), wk = 0.0027624 k( 96) = ( -0.2559100 0.2559100 0.3310146), wk = 0.0027624 k( 97) = ( -0.2621687 0.2621687 0.3247559), wk = 0.0027624 k( 98) = ( -0.2684274 0.2684274 0.3184972), wk = 0.0027624 k( 99) = ( -0.2746862 0.2746862 0.3122385), wk = 0.0027624 k( 100) = ( -0.2809449 0.2809449 0.3059797), wk = 0.0027624 k( 101) = ( -0.2872036 0.2872036 0.2997210), wk = 0.0027624 k( 102) = ( -0.2934623 0.2934623 0.2934623), wk = 0.0027624 k( 103) = ( -0.2934623 0.2934623 0.2934623), wk = 0.0027624 k( 104) = ( -0.2870827 0.2870827 0.2870827), wk = 0.0027624 k( 105) = ( -0.2807031 0.2807031 0.2807031), wk = 0.0027624 k( 106) = ( -0.2743235 0.2743235 0.2743235), wk = 0.0027624 k( 107) = ( -0.2679438 0.2679438 0.2679438), wk = 0.0027624 k( 108) = ( -0.2615642 0.2615642 0.2615642), wk = 0.0027624 k( 109) = ( -0.2551846 0.2551846 0.2551846), wk = 0.0027624 k( 110) = ( -0.2488050 0.2488050 0.2488050), wk = 0.0027624 k( 111) = ( -0.2424254 0.2424254 0.2424254), wk = 0.0027624 k( 112) = ( -0.2360458 0.2360458 0.2360458), wk = 0.0027624 k( 113) = ( -0.2296662 0.2296662 0.2296662), wk = 0.0027624 k( 114) = ( -0.2232865 0.2232865 0.2232865), wk = 0.0027624 k( 115) = ( -0.2169069 0.2169069 0.2169069), wk = 0.0027624 k( 116) = ( -0.2105273 0.2105273 0.2105273), wk = 0.0027624 k( 117) = ( -0.2041477 0.2041477 0.2041477), wk = 0.0027624 k( 118) = ( -0.1977681 0.1977681 0.1977681), wk = 0.0027624 k( 119) = ( -0.1913885 0.1913885 0.1913885), wk = 0.0027624 k( 120) = ( -0.1850089 0.1850088 0.1850089), wk = 0.0027624 k( 121) = ( -0.1786292 0.1786292 0.1786292), wk = 0.0027624 k( 122) = ( -0.1722496 0.1722496 0.1722496), wk = 0.0027624 k( 123) = ( -0.1658700 0.1658700 0.1658700), wk = 0.0027624 k( 124) = ( -0.1594904 0.1594904 0.1594904), wk = 0.0027624 k( 125) = ( -0.1531108 0.1531108 0.1531108), wk = 0.0027624 k( 126) = ( -0.1467312 0.1467312 0.1467311), wk = 0.0027624 k( 127) = ( -0.1403515 0.1403515 0.1403515), wk = 0.0027624 k( 128) = ( -0.1339719 0.1339719 0.1339719), wk = 0.0027624 k( 129) = ( -0.1275923 0.1275923 0.1275923), wk = 0.0027624 k( 130) = ( -0.1212127 0.1212127 0.1212127), wk = 0.0027624 k( 131) = ( -0.1148331 0.1148331 0.1148331), wk = 0.0027624 k( 132) = ( -0.1084535 0.1084535 0.1084535), wk = 0.0027624 k( 133) = ( -0.1020738 0.1020738 0.1020738), wk = 0.0027624 k( 134) = ( -0.0956942 0.0956942 0.0956942), wk = 0.0027624 k( 135) = ( -0.0893146 0.0893146 0.0893146), wk = 0.0027624 k( 136) = ( -0.0829350 0.0829350 0.0829350), wk = 0.0027624 k( 137) = ( -0.0765554 0.0765554 0.0765554), wk = 0.0027624 k( 138) = ( -0.0701758 0.0701758 0.0701758), wk = 0.0027624 k( 139) = ( -0.0637961 0.0637962 0.0637961), wk = 0.0027624 k( 140) = ( -0.0574165 0.0574165 0.0574165), wk = 0.0027624 k( 141) = ( -0.0510369 0.0510369 0.0510369), wk = 0.0027624 k( 142) = ( -0.0446573 0.0446573 0.0446573), wk = 0.0027624 k( 143) = ( -0.0382777 0.0382777 0.0382777), wk = 0.0027624 k( 144) = ( -0.0318981 0.0318981 0.0318981), wk = 0.0027624 k( 145) = ( -0.0255185 0.0255185 0.0255185), wk = 0.0027624 k( 146) = ( -0.0191388 0.0191388 0.0191388), wk = 0.0027624 k( 147) = ( -0.0127592 0.0127592 0.0127592), wk = 0.0027624 k( 148) = ( -0.0063796 0.0063796 0.0063796), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 151) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0027624 k( 152) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0027624 k( 153) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0027624 k( 154) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0027624 k( 155) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0027624 k( 156) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0027624 k( 157) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0027624 k( 158) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0027624 k( 159) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0027624 k( 160) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0027624 k( 161) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0027624 k( 162) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0027624 k( 163) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0027624 k( 164) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0027624 k( 165) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0027624 k( 166) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0027624 k( 167) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0027624 k( 168) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0027624 k( 169) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0027624 k( 170) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0027624 k( 171) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0027624 k( 172) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0027624 k( 173) = ( 0.3484849 0.3484849 -0.3484849), wk = 0.0027624 k( 174) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0027624 k( 175) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0027624 k( 176) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0027624 k( 177) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0027624 k( 178) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0027624 k( 179) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0027624 k( 180) = ( 0.4545455 0.4545455 -0.4545454), wk = 0.0027624 k( 181) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0027624 k( 182) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0027624 k( 183) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027624 k( 184) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027624 k( 185) = ( 0.4937413 0.5062587 -0.4937413), wk = 0.0027624 k( 186) = ( 0.4874826 0.5125174 -0.4874826), wk = 0.0027624 k( 187) = ( 0.4812239 0.5187761 -0.4812239), wk = 0.0027624 k( 188) = ( 0.4749651 0.5250349 -0.4749651), wk = 0.0027624 k( 189) = ( 0.4687064 0.5312936 -0.4687064), wk = 0.0027624 k( 190) = ( 0.4624477 0.5375523 -0.4624477), wk = 0.0027624 k( 191) = ( 0.4561890 0.5438110 -0.4561890), wk = 0.0027624 k( 192) = ( 0.4499303 0.5500697 -0.4499303), wk = 0.0027624 k( 193) = ( 0.4436715 0.5563285 -0.4436715), wk = 0.0027624 k( 194) = ( 0.4374128 0.5625872 -0.4374128), wk = 0.0027624 k( 195) = ( 0.4311541 0.5688459 -0.4311541), wk = 0.0027624 k( 196) = ( 0.4248954 0.5751046 -0.4248954), wk = 0.0027624 k( 197) = ( 0.4186367 0.5813633 -0.4186367), wk = 0.0027624 k( 198) = ( 0.4123779 0.5876221 -0.4123779), wk = 0.0027624 k( 199) = ( 0.4061192 0.5938808 -0.4061192), wk = 0.0027624 k( 200) = ( 0.3998605 0.6001395 -0.3998605), wk = 0.0027624 k( 201) = ( 0.3936018 0.6063982 -0.3936018), wk = 0.0027624 k( 202) = ( 0.3873431 0.6126569 -0.3873431), wk = 0.0027624 k( 203) = ( 0.3810844 0.6189156 -0.3810844), wk = 0.0027624 k( 204) = ( 0.3748256 0.6251744 -0.3748256), wk = 0.0027624 k( 205) = ( 0.3685669 0.6314331 -0.3685669), wk = 0.0027624 k( 206) = ( 0.3623082 0.6376918 -0.3623082), wk = 0.0027624 k( 207) = ( 0.3560495 0.6439505 -0.3560495), wk = 0.0027624 k( 208) = ( 0.3497908 0.6502092 -0.3497908), wk = 0.0027624 k( 209) = ( 0.3435320 0.6564680 -0.3435320), wk = 0.0027624 k( 210) = ( 0.3372733 0.6627267 -0.3372733), wk = 0.0027624 k( 211) = ( 0.3310146 0.6689854 -0.3310146), wk = 0.0027624 k( 212) = ( 0.3247559 0.6752441 -0.3247559), wk = 0.0027624 k( 213) = ( 0.3184972 0.6815028 -0.3184972), wk = 0.0027624 k( 214) = ( 0.3122385 0.6877615 -0.3122385), wk = 0.0027624 k( 215) = ( 0.3059797 0.6940203 -0.3059798), wk = 0.0027624 k( 216) = ( 0.2997210 0.7002790 -0.2997210), wk = 0.0027624 k( 217) = ( 0.2934623 0.7065377 -0.2934623), wk = 0.0027624 k( 218) = ( 0.2934623 0.7065377 -0.2934623), wk = 0.0027624 k( 219) = ( 0.2771589 0.6950634 -0.2771589), wk = 0.0027624 k( 220) = ( 0.2608554 0.6835891 -0.2608554), wk = 0.0027624 k( 221) = ( 0.2445519 0.6721147 -0.2445519), wk = 0.0027624 k( 222) = ( 0.2282485 0.6606404 -0.2282485), wk = 0.0027624 k( 223) = ( 0.2119450 0.6491661 -0.2119450), wk = 0.0027624 k( 224) = ( 0.1956415 0.6376918 -0.1956415), wk = 0.0027624 k( 225) = ( 0.1793381 0.6262175 -0.1793381), wk = 0.0027624 k( 226) = ( 0.1630346 0.6147432 -0.1630346), wk = 0.0027624 k( 227) = ( 0.1467312 0.6032688 -0.1467312), wk = 0.0027624 k( 228) = ( 0.1304277 0.5917945 -0.1304277), wk = 0.0027624 k( 229) = ( 0.1141242 0.5803202 -0.1141242), wk = 0.0027624 k( 230) = ( 0.0978208 0.5688459 -0.0978208), wk = 0.0027624 k( 231) = ( 0.0815173 0.5573716 -0.0815173), wk = 0.0027624 k( 232) = ( 0.0652139 0.5458973 -0.0652138), wk = 0.0027624 k( 233) = ( 0.0489104 0.5344230 -0.0489104), wk = 0.0027624 k( 234) = ( 0.0326069 0.5229486 -0.0326069), wk = 0.0027624 k( 235) = ( 0.0163035 0.5114743 -0.0163035), wk = 0.0027624 k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 237) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 238) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0027624 k( 239) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0027624 k( 240) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0027624 k( 241) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0027624 k( 242) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0027624 k( 243) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0027624 k( 244) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0027624 k( 245) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027624 k( 246) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0027624 k( 247) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0027624 k( 248) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0027624 k( 249) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0027624 k( 250) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0027624 k( 251) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0027624 k( 252) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0027624 k( 253) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027624 k( 254) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0027624 k( 255) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0027624 k( 256) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0027624 k( 257) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0027624 k( 258) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0027624 k( 259) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0027624 k( 260) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0027624 k( 261) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027624 k( 262) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0027624 k( 263) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0027624 k( 264) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0027624 k( 265) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0027624 k( 266) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0027624 k( 267) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0027624 k( 268) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0027624 k( 269) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027624 k( 270) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0027624 k( 271) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0027624 k( 272) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0027624 k( 273) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0027624 k( 274) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0027624 k( 275) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0027624 k( 276) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0027624 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027624 k( 278) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027624 k( 279) = ( 0.2631579 0.2631579 0.2322671), wk = 0.0027624 k( 280) = ( 0.2763158 0.2763158 0.2145342), wk = 0.0027624 k( 281) = ( 0.2894737 0.2894737 0.1968014), wk = 0.0027624 k( 282) = ( 0.3026316 0.3026316 0.1790685), wk = 0.0027624 k( 283) = ( 0.3157895 0.3157895 0.1613356), wk = 0.0027624 k( 284) = ( 0.3289474 0.3289474 0.1436028), wk = 0.0027624 k( 285) = ( 0.3421053 0.3421053 0.1258699), wk = 0.0027624 k( 286) = ( 0.3552632 0.3552632 0.1081370), wk = 0.0027624 k( 287) = ( 0.3684211 0.3684211 0.0904041), wk = 0.0027624 k( 288) = ( 0.3815789 0.3815789 0.0726712), wk = 0.0027624 k( 289) = ( 0.3947368 0.3947368 0.0549384), wk = 0.0027624 k( 290) = ( 0.4078947 0.4078947 0.0372055), wk = 0.0027624 k( 291) = ( 0.4210526 0.4210526 0.0194726), wk = 0.0027624 k( 292) = ( 0.4342105 0.4342105 0.0017397), wk = 0.0027624 k( 293) = ( 0.4473684 0.4473684 -0.0159931), wk = 0.0027624 k( 294) = ( 0.4605263 0.4605263 -0.0337260), wk = 0.0027624 k( 295) = ( 0.4736842 0.4736842 -0.0514589), wk = 0.0027624 k( 296) = ( 0.4868421 0.4868421 -0.0691917), wk = 0.0027624 k( 297) = ( 0.5000000 0.5000000 -0.0869246), wk = 0.0027624 k( 298) = ( 0.5000000 0.5000000 -0.0869246), wk = 0.0027624 k( 299) = ( 0.5000000 0.5000000 -0.0959045), wk = 0.0027624 k( 300) = ( 0.5000000 0.5000000 -0.1048844), wk = 0.0027624 k( 301) = ( 0.5000000 0.5000000 -0.1138643), wk = 0.0027624 k( 302) = ( 0.5000000 0.5000000 -0.1228442), wk = 0.0027624 k( 303) = ( 0.5000000 0.5000000 -0.1318241), wk = 0.0027624 k( 304) = ( 0.5000000 0.5000000 -0.1408040), wk = 0.0027624 k( 305) = ( 0.5000000 0.5000000 -0.1497839), wk = 0.0027624 k( 306) = ( 0.5000000 0.5000000 -0.1587638), wk = 0.0027624 k( 307) = ( 0.5000000 0.5000000 -0.1677437), wk = 0.0027624 k( 308) = ( 0.5000000 0.5000000 -0.1767236), wk = 0.0027624 k( 309) = ( 0.5000000 0.5000000 -0.1857035), wk = 0.0027624 k( 310) = ( 0.5000000 0.5000000 -0.1946834), wk = 0.0027624 k( 311) = ( 0.5000000 0.5000000 -0.2036633), wk = 0.0027624 k( 312) = ( 0.5000000 0.5000000 -0.2126432), wk = 0.0027624 k( 313) = ( 0.5000000 0.5000000 -0.2216231), wk = 0.0027624 k( 314) = ( 0.5000000 0.5000000 -0.2306030), wk = 0.0027624 k( 315) = ( 0.5000000 0.5000000 -0.2395829), wk = 0.0027624 k( 316) = ( 0.5000000 0.5000000 -0.2485628), wk = 0.0027624 k( 317) = ( 0.5000000 0.5000000 -0.2575427), wk = 0.0027624 k( 318) = ( 0.5000000 0.5000000 -0.2665226), wk = 0.0027624 k( 319) = ( 0.5000000 0.5000000 -0.2755025), wk = 0.0027624 k( 320) = ( 0.5000000 0.5000000 -0.2844824), wk = 0.0027624 k( 321) = ( 0.5000000 0.5000000 -0.2934623), wk = 0.0027624 k( 322) = ( 0.5000000 0.5000000 -0.3024422), wk = 0.0027624 k( 323) = ( 0.5000000 0.5000000 -0.3114221), wk = 0.0027624 k( 324) = ( 0.5000000 0.5000000 -0.3204020), wk = 0.0027624 k( 325) = ( 0.5000000 0.5000000 -0.3293819), wk = 0.0027624 k( 326) = ( 0.5000000 0.5000000 -0.3383618), wk = 0.0027624 k( 327) = ( 0.5000000 0.5000000 -0.3473417), wk = 0.0027624 k( 328) = ( 0.5000000 0.5000000 -0.3563216), wk = 0.0027624 k( 329) = ( 0.5000000 0.5000000 -0.3653015), wk = 0.0027624 k( 330) = ( 0.5000000 0.5000000 -0.3742814), wk = 0.0027624 k( 331) = ( 0.5000000 0.5000000 -0.3832613), wk = 0.0027624 k( 332) = ( 0.5000000 0.5000000 -0.3922412), wk = 0.0027624 k( 333) = ( 0.5000000 0.5000000 -0.4012211), wk = 0.0027624 k( 334) = ( 0.5000000 0.5000000 -0.4102010), wk = 0.0027624 k( 335) = ( 0.5000000 0.5000000 -0.4191809), wk = 0.0027624 k( 336) = ( 0.5000000 0.5000000 -0.4281608), wk = 0.0027624 k( 337) = ( 0.5000000 0.5000000 -0.4371407), wk = 0.0027624 k( 338) = ( 0.5000000 0.5000000 -0.4461206), wk = 0.0027624 k( 339) = ( 0.5000000 0.5000000 -0.4551005), wk = 0.0027624 k( 340) = ( 0.5000000 0.5000000 -0.4640804), wk = 0.0027624 k( 341) = ( 0.5000000 0.5000000 -0.4730603), wk = 0.0027624 k( 342) = ( 0.5000000 0.5000000 -0.4820402), wk = 0.0027624 k( 343) = ( 0.5000000 0.5000000 -0.4910201), wk = 0.0027624 k( 344) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027624 k( 345) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 346) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0027624 k( 347) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0027624 k( 348) = ( 0.0441177 0.0441177 0.4558823), wk = 0.0027624 k( 349) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0027624 k( 350) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0027624 k( 351) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0027624 k( 352) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0027624 k( 353) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0027624 k( 354) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0027624 k( 355) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0027624 k( 356) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0027624 k( 357) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0027624 k( 358) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0027624 k( 359) = ( 0.2058823 0.2058824 0.2941176), wk = 0.0027624 k( 360) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0027624 k( 361) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0027624 k( 362) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027624 Dense grid: 40083 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22115 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 160, 50) NL pseudopotentials 0.21 Mb ( 80, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1115) G-vector shells 0.00 Mb ( 526) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 160, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.26 Mb ( 170, 2, 50) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CaxCuPx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.7 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 15.1 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.6 secs Computing kpt #: 19 total cpu time spent up to now is 17.4 secs Computing kpt #: 20 total cpu time spent up to now is 18.4 secs Computing kpt #: 21 total cpu time spent up to now is 19.2 secs Computing kpt #: 22 total cpu time spent up to now is 20.1 secs Computing kpt #: 23 total cpu time spent up to now is 21.1 secs Computing kpt #: 24 total cpu time spent up to now is 21.7 secs Computing kpt #: 25 total cpu time spent up to now is 22.7 secs Computing kpt #: 26 total cpu time spent up to now is 23.5 secs Computing kpt #: 27 total cpu time spent up to now is 24.2 secs Computing kpt #: 28 total cpu time spent up to now is 25.0 secs Computing kpt #: 29 total cpu time spent up to now is 25.8 secs Computing kpt #: 30 total cpu time spent up to now is 26.7 secs Computing kpt #: 31 total cpu time spent up to now is 27.5 secs Computing kpt #: 32 total cpu time spent up to now is 28.3 secs Computing kpt #: 33 total cpu time spent up to now is 28.9 secs Computing kpt #: 34 total cpu time spent up to now is 29.6 secs Computing kpt #: 35 total cpu time spent up to now is 30.2 secs Computing kpt #: 36 total cpu time spent up to now is 31.0 secs Computing kpt #: 37 total cpu time spent up to now is 31.6 secs Computing kpt #: 38 total cpu time spent up to now is 32.4 secs Computing kpt #: 39 total cpu time spent up to now is 33.2 secs Computing kpt #: 40 total cpu time spent up to now is 34.1 secs Computing kpt #: 41 total cpu time spent up to now is 34.9 secs Computing kpt #: 42 total cpu time spent up to now is 36.2 secs Computing kpt #: 43 total cpu time spent up to now is 37.5 secs Computing kpt #: 44 total cpu time spent up to now is 38.7 secs Computing kpt #: 45 total cpu time spent up to now is 39.6 secs Computing kpt #: 46 total cpu time spent up to now is 40.4 secs Computing kpt #: 47 total cpu time spent up to now is 41.2 secs Computing kpt #: 48 total cpu time spent up to now is 42.0 secs Computing kpt #: 49 total cpu time spent up to now is 42.8 secs Computing kpt #: 50 total cpu time spent up to now is 43.6 secs Computing kpt #: 51 total cpu time spent up to now is 44.3 secs Computing kpt #: 52 total cpu time spent up to now is 45.1 secs Computing kpt #: 53 total cpu time spent up to now is 46.0 secs Computing kpt #: 54 total cpu time spent up to now is 46.7 secs Computing kpt #: 55 total cpu time spent up to now is 47.5 secs Computing kpt #: 56 total cpu time spent up to now is 48.1 secs Computing kpt #: 57 total cpu time spent up to now is 48.7 secs Computing kpt #: 58 total cpu time spent up to now is 49.3 secs Computing kpt #: 59 total cpu time spent up to now is 49.9 secs Computing kpt #: 60 total cpu time spent up to now is 50.5 secs Computing kpt #: 61 total cpu time spent up to now is 51.2 secs Computing kpt #: 62 total cpu time spent up to now is 51.9 secs Computing kpt #: 63 total cpu time spent up to now is 52.7 secs Computing kpt #: 64 total cpu time spent up to now is 53.5 secs Computing kpt #: 65 total cpu time spent up to now is 54.2 secs Computing kpt #: 66 total cpu time spent up to now is 55.1 secs Computing kpt #: 67 total cpu time spent up to now is 55.9 secs Computing kpt #: 68 total cpu time spent up to now is 56.6 secs Computing kpt #: 69 total cpu time spent up to now is 57.5 secs Computing kpt #: 70 total cpu time spent up to now is 58.3 secs Computing kpt #: 71 total cpu time spent up to now is 59.3 secs Computing kpt #: 72 total cpu time spent up to now is 60.8 secs Computing kpt #: 73 total cpu time spent up to now is 62.0 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.5 secs Computing kpt #: 75 total cpu time spent up to now is 65.0 secs Computing kpt #: 76 total cpu time spent up to now is 66.0 secs Computing kpt #: 77 total cpu time spent up to now is 66.9 secs Computing kpt #: 78 total cpu time spent up to now is 67.8 secs Computing kpt #: 79 total cpu time spent up to now is 68.7 secs Computing kpt #: 80 total cpu time spent up to now is 69.6 secs Computing kpt #: 81 total cpu time spent up to now is 70.5 secs Computing kpt #: 82 total cpu time spent up to now is 71.4 secs Computing kpt #: 83 total cpu time spent up to now is 72.3 secs Computing kpt #: 84 total cpu time spent up to now is 73.3 secs Computing kpt #: 85 total cpu time spent up to now is 74.3 secs Computing kpt #: 86 total cpu time spent up to now is 75.4 secs Computing kpt #: 87 total cpu time spent up to now is 76.3 secs Computing kpt #: 88 total cpu time spent up to now is 77.3 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.9 secs Computing kpt #: 90 total cpu time spent up to now is 79.8 secs Computing kpt #: 91 total cpu time spent up to now is 80.4 secs Computing kpt #: 92 total cpu time spent up to now is 81.0 secs Computing kpt #: 93 total cpu time spent up to now is 81.6 secs Computing kpt #: 94 total cpu time spent up to now is 82.2 secs Computing kpt #: 95 total cpu time spent up to now is 82.9 secs Computing kpt #: 96 total cpu time spent up to now is 83.5 secs Computing kpt #: 97 total cpu time spent up to now is 84.2 secs Computing kpt #: 98 total cpu time spent up to now is 84.8 secs Computing kpt #: 99 total cpu time spent up to now is 85.4 secs Computing kpt #: 100 total cpu time spent up to now is 86.0 secs Computing kpt #: 101 total cpu time spent up to now is 86.6 secs Computing kpt #: 102 total cpu time spent up to now is 87.1 secs Computing kpt #: 103 total cpu time spent up to now is 87.7 secs Computing kpt #: 104 total cpu time spent up to now is 88.3 secs Computing kpt #: 105 total cpu time spent up to now is 88.9 secs Computing kpt #: 106 total cpu time spent up to now is 89.4 secs Computing kpt #: 107 total cpu time spent up to now is 89.9 secs Computing kpt #: 108 total cpu time spent up to now is 90.5 secs Computing kpt #: 109 total cpu time spent up to now is 91.1 secs Computing kpt #: 110 total cpu time spent up to now is 91.7 secs Computing kpt #: 111 total cpu time spent up to now is 92.3 secs Computing kpt #: 112 total cpu time spent up to now is 92.9 secs Computing kpt #: 113 total cpu time spent up to now is 93.5 secs Computing kpt #: 114 total cpu time spent up to now is 94.1 secs Computing kpt #: 115 total cpu time spent up to now is 94.6 secs Computing kpt #: 116 total cpu time spent up to now is 95.2 secs Computing kpt #: 117 total cpu time spent up to now is 96.0 secs Computing kpt #: 118 total cpu time spent up to now is 96.9 secs Computing kpt #: 119 total cpu time spent up to now is 98.1 secs Computing kpt #: 120 total cpu time spent up to now is 99.1 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.2 secs Computing kpt #: 125 total cpu time spent up to now is 106.6 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.1 secs Computing kpt #: 127 total cpu time spent up to now is 109.0 secs Computing kpt #: 128 total cpu time spent up to now is 109.7 secs Computing kpt #: 129 total cpu time spent up to now is 110.5 secs Computing kpt #: 130 total cpu time spent up to now is 111.3 secs Computing kpt #: 131 total cpu time spent up to now is 112.2 secs Computing kpt #: 132 total cpu time spent up to now is 113.0 secs Computing kpt #: 133 total cpu time spent up to now is 113.8 secs Computing kpt #: 134 total cpu time spent up to now is 114.6 secs Computing kpt #: 135 total cpu time spent up to now is 115.3 secs Computing kpt #: 136 total cpu time spent up to now is 115.9 secs Computing kpt #: 137 total cpu time spent up to now is 116.5 secs Computing kpt #: 138 total cpu time spent up to now is 117.1 secs Computing kpt #: 139 total cpu time spent up to now is 117.7 secs Computing kpt #: 140 total cpu time spent up to now is 118.3 secs Computing kpt #: 141 total cpu time spent up to now is 118.9 secs Computing kpt #: 142 total cpu time spent up to now is 119.4 secs Computing kpt #: 143 total cpu time spent up to now is 119.9 secs Computing kpt #: 144 total cpu time spent up to now is 120.5 secs Computing kpt #: 145 total cpu time spent up to now is 121.1 secs Computing kpt #: 146 total cpu time spent up to now is 121.7 secs Computing kpt #: 147 total cpu time spent up to now is 122.2 secs Computing kpt #: 148 total cpu time spent up to now is 122.7 secs Computing kpt #: 149 total cpu time spent up to now is 123.2 secs Computing kpt #: 150 total cpu time spent up to now is 123.7 secs Computing kpt #: 151 total cpu time spent up to now is 124.2 secs Computing kpt #: 152 total cpu time spent up to now is 124.7 secs Computing kpt #: 153 total cpu time spent up to now is 125.3 secs Computing kpt #: 154 total cpu time spent up to now is 126.0 secs Computing kpt #: 155 total cpu time spent up to now is 126.6 secs Computing kpt #: 156 total cpu time spent up to now is 127.1 secs Computing kpt #: 157 total cpu time spent up to now is 127.7 secs Computing kpt #: 158 total cpu time spent up to now is 128.3 secs Computing kpt #: 159 total cpu time spent up to now is 129.0 secs Computing kpt #: 160 total cpu time spent up to now is 129.8 secs Computing kpt #: 161 total cpu time spent up to now is 130.4 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.9 secs Computing kpt #: 163 total cpu time spent up to now is 133.0 secs Computing kpt #: 164 total cpu time spent up to now is 133.9 secs Computing kpt #: 165 total cpu time spent up to now is 134.9 secs Computing kpt #: 166 total cpu time spent up to now is 135.6 secs Computing kpt #: 167 total cpu time spent up to now is 136.4 secs Computing kpt #: 168 total cpu time spent up to now is 137.1 secs Computing kpt #: 169 total cpu time spent up to now is 138.1 secs Computing kpt #: 170 total cpu time spent up to now is 139.2 secs Computing kpt #: 171 total cpu time spent up to now is 139.9 secs Computing kpt #: 172 total cpu time spent up to now is 141.0 secs Computing kpt #: 173 total cpu time spent up to now is 142.0 secs Computing kpt #: 174 total cpu time spent up to now is 142.8 secs Computing kpt #: 175 total cpu time spent up to now is 143.8 secs Computing kpt #: 176 total cpu time spent up to now is 144.7 secs Computing kpt #: 177 total cpu time spent up to now is 145.7 secs Computing kpt #: 178 total cpu time spent up to now is 146.5 secs Computing kpt #: 179 total cpu time spent up to now is 147.4 secs Computing kpt #: 180 total cpu time spent up to now is 148.2 secs Computing kpt #: 181 total cpu time spent up to now is 149.1 secs Computing kpt #: 182 total cpu time spent up to now is 149.9 secs Computing kpt #: 183 total cpu time spent up to now is 150.7 secs Computing kpt #: 184 total cpu time spent up to now is 151.4 secs Computing kpt #: 185 total cpu time spent up to now is 152.2 secs Computing kpt #: 186 total cpu time spent up to now is 153.0 secs Computing kpt #: 187 total cpu time spent up to now is 154.1 secs Computing kpt #: 188 total cpu time spent up to now is 155.2 secs Computing kpt #: 189 total cpu time spent up to now is 156.2 secs Computing kpt #: 190 total cpu time spent up to now is 157.2 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.7 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.2 secs Computing kpt #: 193 total cpu time spent up to now is 161.2 secs Computing kpt #: 194 total cpu time spent up to now is 162.2 secs Computing kpt #: 195 total cpu time spent up to now is 163.1 secs Computing kpt #: 196 total cpu time spent up to now is 164.0 secs Computing kpt #: 197 total cpu time spent up to now is 164.8 secs Computing kpt #: 198 total cpu time spent up to now is 165.6 secs Computing kpt #: 199 total cpu time spent up to now is 166.3 secs Computing kpt #: 200 total cpu time spent up to now is 167.2 secs Computing kpt #: 201 total cpu time spent up to now is 168.3 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.9 secs Computing kpt #: 203 total cpu time spent up to now is 171.0 secs Computing kpt #: 204 total cpu time spent up to now is 171.7 secs Computing kpt #: 205 total cpu time spent up to now is 172.3 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 173.9 secs Computing kpt #: 207 total cpu time spent up to now is 174.4 secs Computing kpt #: 208 total cpu time spent up to now is 174.9 secs Computing kpt #: 209 total cpu time spent up to now is 175.4 secs Computing kpt #: 210 total cpu time spent up to now is 175.9 secs Computing kpt #: 211 total cpu time spent up to now is 176.4 secs Computing kpt #: 212 total cpu time spent up to now is 177.0 secs Computing kpt #: 213 total cpu time spent up to now is 177.6 secs Computing kpt #: 214 total cpu time spent up to now is 178.2 secs Computing kpt #: 215 total cpu time spent up to now is 178.8 secs Computing kpt #: 216 total cpu time spent up to now is 179.4 secs Computing kpt #: 217 total cpu time spent up to now is 180.0 secs Computing kpt #: 218 total cpu time spent up to now is 180.6 secs Computing kpt #: 219 total cpu time spent up to now is 181.2 secs Computing kpt #: 220 total cpu time spent up to now is 181.8 secs Computing kpt #: 221 total cpu time spent up to now is 182.4 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.9 secs Computing kpt #: 223 total cpu time spent up to now is 185.0 secs Computing kpt #: 224 total cpu time spent up to now is 186.2 secs Computing kpt #: 225 total cpu time spent up to now is 187.0 secs Computing kpt #: 226 total cpu time spent up to now is 187.6 secs Computing kpt #: 227 total cpu time spent up to now is 188.3 secs Computing kpt #: 228 total cpu time spent up to now is 188.9 secs Computing kpt #: 229 total cpu time spent up to now is 189.5 secs Computing kpt #: 230 total cpu time spent up to now is 190.1 secs Computing kpt #: 231 total cpu time spent up to now is 190.7 secs Computing kpt #: 232 total cpu time spent up to now is 191.3 secs Computing kpt #: 233 total cpu time spent up to now is 191.9 secs Computing kpt #: 234 total cpu time spent up to now is 192.5 secs Computing kpt #: 235 total cpu time spent up to now is 193.1 secs Computing kpt #: 236 total cpu time spent up to now is 193.6 secs Computing kpt #: 237 total cpu time spent up to now is 194.0 secs Computing kpt #: 238 total cpu time spent up to now is 194.6 secs Computing kpt #: 239 total cpu time spent up to now is 195.2 secs Computing kpt #: 240 total cpu time spent up to now is 195.8 secs Computing kpt #: 241 total cpu time spent up to now is 196.4 secs Computing kpt #: 242 total cpu time spent up to now is 197.0 secs Computing kpt #: 243 total cpu time spent up to now is 197.6 secs Computing kpt #: 244 total cpu time spent up to now is 198.2 secs Computing kpt #: 245 total cpu time spent up to now is 198.8 secs Computing kpt #: 246 total cpu time spent up to now is 199.4 secs Computing kpt #: 247 total cpu time spent up to now is 200.0 secs Computing kpt #: 248 total cpu time spent up to now is 200.6 secs Computing kpt #: 249 total cpu time spent up to now is 201.5 secs Computing kpt #: 250 total cpu time spent up to now is 202.1 secs Computing kpt #: 251 total cpu time spent up to now is 202.8 secs Computing kpt #: 252 total cpu time spent up to now is 203.4 secs Computing kpt #: 253 total cpu time spent up to now is 204.3 secs Computing kpt #: 254 total cpu time spent up to now is 205.2 secs Computing kpt #: 255 total cpu time spent up to now is 205.9 secs Computing kpt #: 256 total cpu time spent up to now is 206.6 secs Computing kpt #: 257 total cpu time spent up to now is 207.3 secs Computing kpt #: 258 total cpu time spent up to now is 208.0 secs Computing kpt #: 259 total cpu time spent up to now is 208.7 secs Computing kpt #: 260 total cpu time spent up to now is 209.4 secs Computing kpt #: 261 total cpu time spent up to now is 210.1 secs Computing kpt #: 262 total cpu time spent up to now is 210.8 secs Computing kpt #: 263 total cpu time spent up to now is 211.5 secs Computing kpt #: 264 total cpu time spent up to now is 212.3 secs Computing kpt #: 265 total cpu time spent up to now is 213.1 secs Computing kpt #: 266 total cpu time spent up to now is 214.0 secs Computing kpt #: 267 total cpu time spent up to now is 214.8 secs Computing kpt #: 268 total cpu time spent up to now is 215.6 secs Computing kpt #: 269 total cpu time spent up to now is 216.7 secs Computing kpt #: 270 total cpu time spent up to now is 217.6 secs Computing kpt #: 271 total cpu time spent up to now is 218.5 secs Computing kpt #: 272 total cpu time spent up to now is 219.6 secs Computing kpt #: 273 total cpu time spent up to now is 220.4 secs Computing kpt #: 274 total cpu time spent up to now is 221.2 secs Computing kpt #: 275 total cpu time spent up to now is 221.9 secs Computing kpt #: 276 total cpu time spent up to now is 222.6 secs Computing kpt #: 277 total cpu time spent up to now is 223.4 secs Computing kpt #: 278 total cpu time spent up to now is 224.1 secs Computing kpt #: 279 total cpu time spent up to now is 224.8 secs Computing kpt #: 280 total cpu time spent up to now is 225.6 secs Computing kpt #: 281 total cpu time spent up to now is 226.4 secs Computing kpt #: 282 total cpu time spent up to now is 227.2 secs Computing kpt #: 283 total cpu time spent up to now is 228.2 secs Computing kpt #: 284 total cpu time spent up to now is 229.1 secs Computing kpt #: 285 total cpu time spent up to now is 229.9 secs Computing kpt #: 286 total cpu time spent up to now is 230.9 secs Computing kpt #: 287 total cpu time spent up to now is 231.8 secs Computing kpt #: 288 total cpu time spent up to now is 232.6 secs Computing kpt #: 289 total cpu time spent up to now is 233.4 secs Computing kpt #: 290 total cpu time spent up to now is 234.2 secs Computing kpt #: 291 total cpu time spent up to now is 235.0 secs Computing kpt #: 292 total cpu time spent up to now is 235.8 secs Computing kpt #: 293 total cpu time spent up to now is 236.8 secs Computing kpt #: 294 total cpu time spent up to now is 237.7 secs Computing kpt #: 295 total cpu time spent up to now is 238.5 secs Computing kpt #: 296 total cpu time spent up to now is 239.5 secs Computing kpt #: 297 total cpu time spent up to now is 240.6 secs Computing kpt #: 298 total cpu time spent up to now is 241.5 secs Computing kpt #: 299 total cpu time spent up to now is 242.6 secs Computing kpt #: 300 total cpu time spent up to now is 243.6 secs Computing kpt #: 301 total cpu time spent up to now is 244.5 secs Computing kpt #: 302 total cpu time spent up to now is 245.4 secs Computing kpt #: 303 total cpu time spent up to now is 247.1 secs Computing kpt #: 304 total cpu time spent up to now is 248.6 secs Computing kpt #: 305 total cpu time spent up to now is 249.8 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.4 secs Computing kpt #: 307 total cpu time spent up to now is 252.7 secs Computing kpt #: 308 total cpu time spent up to now is 253.5 secs Computing kpt #: 309 total cpu time spent up to now is 254.2 secs Computing kpt #: 310 total cpu time spent up to now is 255.0 secs Computing kpt #: 311 total cpu time spent up to now is 255.5 secs Computing kpt #: 312 total cpu time spent up to now is 256.0 secs Computing kpt #: 313 total cpu time spent up to now is 256.5 secs Computing kpt #: 314 total cpu time spent up to now is 256.9 secs Computing kpt #: 315 total cpu time spent up to now is 257.4 secs Computing kpt #: 316 total cpu time spent up to now is 257.9 secs Computing kpt #: 317 total cpu time spent up to now is 258.5 secs Computing kpt #: 318 total cpu time spent up to now is 259.0 secs Computing kpt #: 319 total cpu time spent up to now is 259.5 secs Computing kpt #: 320 total cpu time spent up to now is 259.9 secs Computing kpt #: 321 total cpu time spent up to now is 260.5 secs Computing kpt #: 322 total cpu time spent up to now is 261.1 secs Computing kpt #: 323 total cpu time spent up to now is 261.7 secs Computing kpt #: 324 total cpu time spent up to now is 262.2 secs Computing kpt #: 325 total cpu time spent up to now is 263.5 secs Computing kpt #: 326 total cpu time spent up to now is 264.5 secs Computing kpt #: 327 total cpu time spent up to now is 265.4 secs Computing kpt #: 328 total cpu time spent up to now is 266.2 secs Computing kpt #: 329 total cpu time spent up to now is 267.0 secs Computing kpt #: 330 total cpu time spent up to now is 267.8 secs Computing kpt #: 331 total cpu time spent up to now is 268.6 secs Computing kpt #: 332 total cpu time spent up to now is 269.4 secs Computing kpt #: 333 total cpu time spent up to now is 270.1 secs Computing kpt #: 334 total cpu time spent up to now is 270.8 secs Computing kpt #: 335 total cpu time spent up to now is 271.5 secs Computing kpt #: 336 total cpu time spent up to now is 272.1 secs Computing kpt #: 337 total cpu time spent up to now is 272.8 secs Computing kpt #: 338 total cpu time spent up to now is 273.6 secs Computing kpt #: 339 total cpu time spent up to now is 274.4 secs Computing kpt #: 340 total cpu time spent up to now is 275.2 secs Computing kpt #: 341 total cpu time spent up to now is 276.1 secs Computing kpt #: 342 total cpu time spent up to now is 276.9 secs Computing kpt #: 343 total cpu time spent up to now is 277.7 secs Computing kpt #: 344 total cpu time spent up to now is 278.5 secs Computing kpt #: 345 total cpu time spent up to now is 279.0 secs Computing kpt #: 346 total cpu time spent up to now is 279.6 secs Computing kpt #: 347 total cpu time spent up to now is 280.1 secs Computing kpt #: 348 total cpu time spent up to now is 280.8 secs Computing kpt #: 349 total cpu time spent up to now is 281.5 secs Computing kpt #: 350 total cpu time spent up to now is 282.4 secs Computing kpt #: 351 total cpu time spent up to now is 283.3 secs Computing kpt #: 352 total cpu time spent up to now is 284.2 secs Computing kpt #: 353 total cpu time spent up to now is 285.1 secs Computing kpt #: 354 total cpu time spent up to now is 286.1 secs Computing kpt #: 355 total cpu time spent up to now is 287.0 secs Computing kpt #: 356 total cpu time spent up to now is 288.0 secs Computing kpt #: 357 total cpu time spent up to now is 288.9 secs Computing kpt #: 358 total cpu time spent up to now is 289.9 secs Computing kpt #: 359 total cpu time spent up to now is 291.1 secs Computing kpt #: 360 total cpu time spent up to now is 291.8 secs Computing kpt #: 361 total cpu time spent up to now is 292.5 secs Computing kpt #: 362 total cpu time spent up to now is 293.2 secs ethr = 2.38E-08, avg # of iterations = 44.2 total cpu time spent up to now is 293.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2759 PWs) bands (ev): -29.7077 -29.7077 -11.0085 -11.0085 -10.6442 -10.6442 -10.6219 -10.6219 -2.3673 -2.3673 1.5559 1.5559 3.8528 3.8528 6.2855 6.2855 6.3303 6.3303 6.9877 6.9877 7.1854 7.1854 7.3785 7.3785 7.4654 7.4654 7.9104 7.9104 7.9661 7.9661 8.2139 8.2139 8.6406 8.6406 8.8574 8.8574 8.8817 8.8817 10.3232 10.3232 10.3448 10.3448 11.3009 11.3009 13.5592 13.5592 13.5976 13.5976 13.6564 13.6564 k = 0.0000 0.0000 0.0176 ( 2767 PWs) bands (ev): -29.7077 -29.7077 -11.0086 -11.0086 -10.6442 -10.6442 -10.6220 -10.6220 -2.3663 -2.3663 1.5557 1.5557 3.8536 3.8536 6.2846 6.2846 6.3293 6.3293 6.9882 6.9882 7.1846 7.1846 7.3787 7.3787 7.4654 7.4654 7.9097 7.9097 7.9663 7.9663 8.2133 8.2133 8.6341 8.6341 8.8587 8.8587 8.8837 8.8837 10.3167 10.3167 10.3390 10.3390 11.3120 11.3120 13.5654 13.5654 13.6029 13.6029 13.6564 13.6564 k = 0.0000 0.0000 0.0352 ( 2765 PWs) bands (ev): -29.7077 -29.7077 -11.0087 -11.0087 -10.6442 -10.6442 -10.6222 -10.6222 -2.3633 -2.3633 1.5551 1.5551 3.8560 3.8560 6.2819 6.2819 6.3270 6.3270 6.9897 6.9897 7.1827 7.1827 7.3789 7.3789 7.4658 7.4658 7.9076 7.9076 7.9668 7.9668 8.2118 8.2118 8.6162 8.6162 8.8598 8.8598 8.8911 8.8911 10.2954 10.2954 10.3248 10.3248 11.3442 11.3442 13.5839 13.5839 13.6185 13.6185 13.6565 13.6565 k = 0.0000 0.0000 0.0527 ( 2765 PWs) bands (ev): -29.7077 -29.7077 -11.0089 -11.0089 -10.6443 -10.6443 -10.6226 -10.6226 -2.3584 -2.3584 1.5541 1.5541 3.8601 3.8601 6.2766 6.2766 6.3239 6.3239 6.9922 6.9922 7.1799 7.1799 7.3778 7.3778 7.4673 7.4673 7.9041 7.9041 7.9675 7.9675 8.2089 8.2089 8.5899 8.5899 8.8575 8.8575 8.9043 8.9043 10.2591 10.2591 10.3056 10.3056 11.3946 11.3946 13.6147 13.6147 13.6434 13.6434 13.6567 13.6567 k = 0.0000 0.0000 0.0703 ( 2769 PWs) bands (ev): -29.7076 -29.7076 -11.0091 -11.0091 -10.6445 -10.6445 -10.6231 -10.6231 -2.3515 -2.3515 1.5528 1.5528 3.8657 3.8657 6.2680 6.2680 6.3210 6.3210 6.9956 6.9956 7.1762 7.1762 7.3739 7.3739 7.4712 7.4712 7.8996 7.8996 7.9682 7.9682 8.2049 8.2049 8.5579 8.5579 8.8523 8.8523 8.9205 8.9205 10.2117 10.2117 10.2815 10.2815 11.4598 11.4598 13.6566 13.6566 13.6575 13.6575 13.6771 13.6771 k = 0.0000 0.0000 0.0879 ( 2769 PWs) bands (ev): -29.7076 -29.7076 -11.0095 -11.0095 -10.6446 -10.6446 -10.6237 -10.6237 -2.3427 -2.3427 1.5510 1.5510 3.8729 3.8729 6.2556 6.2556 6.3189 6.3189 6.9998 6.9998 7.1720 7.1720 7.3657 7.3657 7.4785 7.4785 7.8942 7.8942 7.9690 7.9690 8.1999 8.1999 8.5225 8.5225 8.8448 8.8448 8.9375 8.9375 10.1568 10.1568 10.2525 10.2525 11.5367 11.5367 13.6575 13.6575 13.7114 13.7114 13.7170 13.7170 k = 0.0000 0.0000 0.1055 ( 2767 PWs) bands (ev): -29.7075 -29.7075 -11.0098 -11.0098 -10.6448 -10.6448 -10.6245 -10.6245 -2.3320 -2.3320 1.5489 1.5489 3.8816 3.8816 6.2394 6.2394 6.3179 6.3179 7.0048 7.0048 7.1675 7.1675 7.3524 7.3524 7.4894 7.4894 7.8880 7.8880 7.9695 7.9695 8.1937 8.1937 8.4852 8.4852 8.8352 8.8352 8.9540 8.9540 10.0972 10.0972 10.2192 10.2192 11.6229 11.6229 13.6587 13.6587 13.7608 13.7608 13.7771 13.7771 k = 0.0000 0.0000 0.1230 ( 2761 PWs) bands (ev): -29.7074 -29.7074 -11.0103 -11.0103 -10.6450 -10.6450 -10.6254 -10.6254 -2.3194 -2.3194 1.5465 1.5465 3.8917 3.8917 6.2197 6.2197 6.3177 6.3177 7.0104 7.0104 7.1631 7.1631 7.3339 7.3339 7.5036 7.5036 7.8812 7.8812 7.9697 7.9697 8.1864 8.1864 8.4472 8.4472 8.8238 8.8238 8.9696 8.9696 10.0348 10.0348 10.1825 10.1825 11.7165 11.7165 13.6606 13.6606 13.8073 13.8073 13.8529 13.8529 k = 0.0000 0.0000 0.1406 ( 2761 PWs) bands (ev): -29.7073 -29.7073 -11.0108 -11.0108 -10.6452 -10.6452 -10.6265 -10.6265 -2.3050 -2.3050 1.5437 1.5437 3.9031 3.9031 6.1971 6.1971 6.3182 6.3182 7.0165 7.0165 7.1589 7.1589 7.3101 7.3101 7.5204 7.5204 7.8741 7.8741 7.9697 7.9697 8.1779 8.1779 8.4096 8.4096 8.8105 8.8105 8.9837 8.9837 9.9708 9.9708 10.1430 10.1430 11.8162 11.8162 13.6634 13.6634 13.8538 13.8538 13.9388 13.9388 k = 0.0000 0.0000 0.1582 ( 2757 PWs) bands (ev): -29.7072 -29.7072 -11.0114 -11.0114 -10.6455 -10.6455 -10.6276 -10.6276 -2.2889 -2.2889 1.5406 1.5406 3.9159 3.9159 6.1718 6.1718 6.3190 6.3190 7.0230 7.0230 7.1550 7.1550 7.2814 7.2814 7.5393 7.5393 7.8667 7.8667 7.9693 7.9693 8.1682 8.1682 8.3733 8.3733 8.7956 8.7956 8.9966 8.9966 9.9062 9.9062 10.1016 10.1016 11.9210 11.9210 13.6673 13.6673 13.8985 13.8985 14.0340 14.0340 k = 0.0000 0.0000 0.1758 ( 2755 PWs) bands (ev): -29.7071 -29.7071 -11.0120 -11.0120 -10.6458 -10.6458 -10.6289 -10.6289 -2.2711 -2.2711 1.5373 1.5373 3.9298 3.9298 6.1443 6.1443 6.3203 6.3203 7.0295 7.0295 7.1517 7.1517 7.2478 7.2478 7.5601 7.5601 7.8592 7.8592 7.9684 7.9684 8.1571 8.1571 8.3387 8.3387 8.7791 8.7791 9.0079 9.0079 9.8417 9.8417 10.0591 10.0591 12.0302 12.0302 13.6726 13.6726 13.9401 13.9401 14.1381 14.1381 k = 0.0000 0.0000 0.1934 ( 2755 PWs) bands (ev): -29.7070 -29.7070 -11.0128 -11.0128 -10.6461 -10.6461 -10.6303 -10.6303 -2.2516 -2.2516 1.5337 1.5337 3.9448 3.9448 6.1150 6.1150 6.3220 6.3220 7.0358 7.0358 7.1489 7.1489 7.2099 7.2099 7.5822 7.5822 7.8518 7.8518 7.9671 7.9671 8.1450 8.1450 8.3064 8.3064 8.7610 8.7610 9.0178 9.0178 9.7777 9.7777 10.0161 10.0161 12.1431 12.1431 13.6796 13.6796 13.9778 13.9778 14.2504 14.2504 k = 0.0000 0.0000 0.2109 ( 2759 PWs) bands (ev): -29.7068 -29.7068 -11.0135 -11.0135 -10.6465 -10.6465 -10.6317 -10.6317 -2.2306 -2.2306 1.5299 1.5299 3.9607 3.9607 6.0843 6.0843 6.3238 6.3238 7.0406 7.0406 7.1466 7.1466 7.1688 7.1688 7.6054 7.6054 7.8446 7.8446 7.9652 7.9652 8.1317 8.1317 8.2768 8.2768 8.7414 8.7414 9.0263 9.0263 9.7146 9.7146 9.9730 9.9730 12.2595 12.2595 13.6884 13.6884 14.0111 14.0111 14.3702 14.3702 k = 0.0000 0.0000 0.2285 ( 2763 PWs) bands (ev): -29.7067 -29.7067 -11.0144 -11.0144 -10.6469 -10.6469 -10.6333 -10.6333 -2.2080 -2.2080 1.5259 1.5259 3.9775 3.9775 6.0525 6.0525 6.3259 6.3259 7.0408 7.0408 7.1269 7.1269 7.1461 7.1461 7.6295 7.6295 7.8378 7.8378 7.9627 7.9627 8.1173 8.1173 8.2501 8.2501 8.7202 8.7202 9.0335 9.0335 9.6526 9.6526 9.9306 9.9306 12.3789 12.3789 13.6993 13.6993 14.0403 14.0403 14.4970 14.4970 k = 0.0000 0.0000 0.2461 ( 2767 PWs) bands (ev): -29.7065 -29.7065 -11.0153 -11.0153 -10.6473 -10.6473 -10.6349 -10.6349 -2.1841 -2.1841 1.5217 1.5217 3.9949 3.9949 6.0200 6.0200 6.3282 6.3282 7.0248 7.0248 7.0978 7.0978 7.1455 7.1455 7.6541 7.6541 7.8315 7.8315 7.9595 7.9595 8.1022 8.1022 8.2262 8.2262 8.6977 8.6977 9.0397 9.0397 9.5919 9.5919 9.8890 9.8890 12.5010 12.5010 13.7126 13.7126 14.0655 14.0655 14.6302 14.6302 k = 0.0000 0.0000 0.2637 ( 2767 PWs) bands (ev): -29.7063 -29.7063 -11.0162 -11.0162 -10.6478 -10.6478 -10.6366 -10.6366 -2.1588 -2.1588 1.5174 1.5174 4.0129 4.0129 5.9872 5.9872 6.3307 6.3307 6.9835 6.9835 7.0900 7.0900 7.1461 7.1461 7.6787 7.6787 7.8263 7.8263 7.9558 7.9558 8.0866 8.0866 8.2049 8.2049 8.6739 8.6739 9.0449 9.0449 9.5325 9.5325 9.8487 9.8487 12.6257 12.6257 13.7283 13.7283 14.0872 14.0872 14.7692 14.7692 k = 0.0000 0.0000 0.2813 ( 2767 PWs) bands (ev): -29.7062 -29.7062 -11.0172 -11.0172 -10.6482 -10.6482 -10.6383 -10.6383 -2.1323 -2.1323 1.5130 1.5130 4.0311 4.0311 5.9546 5.9546 6.3333 6.3333 6.9284 6.9284 7.0920 7.0920 7.1479 7.1479 7.7023 7.7023 7.8229 7.8229 7.9512 7.9512 8.0709 8.0709 8.1859 8.1859 8.6488 8.6488 9.0491 9.0491 9.4747 9.4747 9.8099 9.8099 12.7526 12.7526 13.7468 13.7468 14.1055 14.1055 14.9131 14.9131 k = 0.0000 0.0000 0.2988 ( 2763 PWs) bands (ev): -29.7060 -29.7060 -11.0182 -11.0182 -10.6487 -10.6487 -10.6401 -10.6401 -2.1047 -2.1047 1.5085 1.5085 4.0496 4.0496 5.9225 5.9225 6.3361 6.3361 6.8674 6.8674 7.0966 7.0966 7.1510 7.1510 7.7233 7.7233 7.8228 7.8228 7.9457 7.9457 8.0559 8.0559 8.1688 8.1688 8.6224 8.6224 9.0525 9.0525 9.4183 9.4183 9.7727 9.7727 12.8815 12.8815 13.7682 13.7682 14.1209 14.1209 15.0066 15.0078 k = 0.0000 0.0000 0.3164 ( 2759 PWs) bands (ev): -29.7058 -29.7058 -11.0192 -11.0192 -10.6493 -10.6493 -10.6418 -10.6418 -2.0761 -2.0761 1.5040 1.5040 4.0680 4.0680 5.8914 5.8914 6.3390 6.3390 6.8028 6.8028 7.1015 7.1015 7.1555 7.1555 7.7390 7.7390 7.8286 7.8286 7.9392 7.9392 8.0415 8.0415 8.1533 8.1533 8.5950 8.5950 9.0552 9.0552 9.3634 9.3634 9.7373 9.7373 13.0123 13.0123 13.7927 13.7927 14.1334 14.1334 15.0022 15.0022 k = 0.0000 0.0000 0.3340 ( 2759 PWs) bands (ev): -29.7056 -29.7056 -11.0202 -11.0202 -10.6500 -10.6500 -10.6434 -10.6434 -2.0465 -2.0465 1.4995 1.4995 4.0863 4.0863 5.8614 5.8614 6.3419 6.3419 6.7359 6.7359 7.1061 7.1061 7.1613 7.1613 7.7469 7.7469 7.8424 7.8424 7.9316 7.9316 8.0284 8.0284 8.1391 8.1391 8.5665 8.5665 9.0572 9.0572 9.3100 9.3100 9.7035 9.7035 13.1447 13.1447 13.8203 13.8203 14.1432 14.1432 14.9965 14.9965 k = 0.0000 0.0000 0.3516 ( 2759 PWs) bands (ev): -29.7054 -29.7054 -11.0213 -11.0213 -10.6509 -10.6509 -10.6450 -10.6450 -2.0162 -2.0162 1.4950 1.4950 4.1042 4.1042 5.8332 5.8332 6.3450 6.3450 6.6672 6.6672 7.1104 7.1104 7.1683 7.1683 7.7478 7.7478 7.8633 7.8633 7.9229 7.9229 8.0167 8.0167 8.1261 8.1261 8.5371 8.5371 9.0585 9.0585 9.2581 9.2581 9.6716 9.6716 13.2785 13.2785 13.8511 13.8511 14.1502 14.1502 14.9901 14.9901 k = 0.0000 0.0000 0.3691 ( 2757 PWs) bands (ev): -29.7051 -29.7051 -11.0225 -11.0225 -10.6519 -10.6519 -10.6463 -10.6463 -1.9851 -1.9851 1.4906 1.4906 4.1215 4.1215 5.8071 5.8071 6.3481 6.3481 6.5975 6.5975 7.1142 7.1142 7.1763 7.1763 7.7443 7.7443 7.8878 7.8878 7.9137 7.9137 8.0067 8.0067 8.1144 8.1144 8.5068 8.5068 9.0594 9.0594 9.2078 9.2078 9.6412 9.6412 13.4135 13.4135 13.8853 13.8853 14.1544 14.1544 14.9824 14.9824 k = 0.0000 0.0000 0.3867 ( 2765 PWs) bands (ev): -29.7049 -29.7049 -11.0236 -11.0236 -10.6533 -10.6533 -10.6475 -10.6475 -1.9535 -1.9535 1.4862 1.4862 4.1381 4.1381 5.7832 5.7832 6.3511 6.3511 6.5270 6.5270 7.1178 7.1178 7.1851 7.1851 7.7380 7.7380 7.8988 7.8988 7.9187 7.9187 7.9987 7.9987 8.1037 8.1037 8.4758 8.4758 9.0596 9.0596 9.1589 9.1589 9.6125 9.6125 13.5494 13.5494 13.9228 13.9228 14.1558 14.1558 14.9721 14.9721 k = 0.0000 0.0000 0.4043 ( 2753 PWs) bands (ev): -29.7047 -29.7047 -11.0247 -11.0247 -10.6547 -10.6547 -10.6483 -10.6483 -1.9215 -1.9215 1.4819 1.4819 4.1540 4.1540 5.7621 5.7621 6.3543 6.3543 6.4565 6.4565 7.1212 7.1212 7.1944 7.1944 7.7302 7.7302 7.8884 7.8884 7.9431 7.9431 7.9945 7.9945 8.0945 8.0945 8.4442 8.4442 9.0593 9.0593 9.1118 9.1118 9.5852 9.5852 13.6859 13.6859 13.9636 13.9636 14.1541 14.1541 14.9170 14.9170 k = 0.0000 0.0000 0.4219 ( 2758 PWs) bands (ev): -29.7045 -29.7045 -11.0259 -11.0259 -10.6565 -10.6565 -10.6491 -10.6491 -1.8891 -1.8891 1.4778 1.4778 4.1689 4.1689 5.7439 5.7439 6.3564 6.3564 6.3869 6.3869 7.1245 7.1245 7.2039 7.2039 7.7212 7.7212 7.8761 7.8761 7.9594 7.9594 8.0005 8.0005 8.0871 8.0871 8.4120 8.4120 9.0548 9.0548 9.0698 9.0698 9.5592 9.5592 13.8228 13.8228 14.0073 14.0073 14.1490 14.1490 14.7871 14.7871 k = 0.0000 0.0000 0.4395 ( 2762 PWs) bands (ev): -29.7042 -29.7042 -11.0271 -11.0271 -10.6583 -10.6583 -10.6497 -10.6497 -1.8566 -1.8566 1.4737 1.4737 4.1829 4.1829 5.7287 5.7287 6.3139 6.3139 6.3622 6.3622 7.1277 7.1277 7.2135 7.2135 7.7113 7.7113 7.8633 7.8633 7.9612 7.9612 8.0204 8.0204 8.0831 8.0831 8.3793 8.3793 9.0184 9.0184 9.0608 9.0608 9.5343 9.5343 13.9596 13.9596 14.0531 14.0531 14.1406 14.1406 14.6576 14.6576 k = 0.0000 0.0000 0.4570 ( 2762 PWs) bands (ev): -29.7040 -29.7040 -11.0282 -11.0282 -10.6602 -10.6602 -10.6502 -10.6502 -1.8240 -1.8240 1.4699 1.4699 4.1958 4.1958 5.7168 5.7168 6.2447 6.2447 6.3649 6.3649 7.1310 7.1310 7.2232 7.2232 7.7007 7.7007 7.8501 7.8501 7.9572 7.9572 8.0397 8.0397 8.0879 8.0879 8.3464 8.3464 8.9754 8.9754 9.0593 9.0593 9.5103 9.5103 14.0929 14.0929 14.0991 14.0991 14.1314 14.1314 14.5308 14.5308 k = 0.0000 0.0000 0.4746 ( 2760 PWs) bands (ev): -29.7038 -29.7038 -11.0294 -11.0294 -10.6621 -10.6621 -10.6507 -10.6507 -1.7915 -1.7915 1.4662 1.4662 4.2078 4.2078 5.7081 5.7081 6.1760 6.1760 6.3680 6.3680 7.1343 7.1343 7.2328 7.2328 7.6894 7.6894 7.8369 7.8369 7.9519 7.9519 8.0467 8.0467 8.1083 8.1083 8.3133 8.3133 8.9331 8.9331 9.0581 9.0581 9.4870 9.4870 14.1004 14.1004 14.1497 14.1497 14.2322 14.2322 14.4127 14.4127 k = 0.0000 0.0000 0.4922 ( 2760 PWs) bands (ev): -29.7035 -29.7035 -11.0305 -11.0305 -10.6640 -10.6640 -10.6511 -10.6511 -1.7592 -1.7592 1.4627 1.4627 4.2190 4.2190 5.7028 5.7028 6.1082 6.1082 6.3712 6.3712 7.1377 7.1377 7.2422 7.2422 7.6775 7.6775 7.8236 7.8236 7.9460 7.9460 8.0461 8.0461 8.1383 8.1383 8.2803 8.2803 8.8919 8.8919 9.0569 9.0569 9.4642 9.4642 14.0758 14.0758 14.1575 14.1575 14.3310 14.3310 14.3675 14.3675 k = 0.0000 0.0000 0.5098 ( 2760 PWs) bands (ev): -29.7033 -29.7033 -11.0317 -11.0317 -10.6658 -10.6658 -10.6515 -10.6515 -1.7272 -1.7272 1.4594 1.4594 4.2294 4.2294 5.7006 5.7006 6.0417 6.0417 6.3743 6.3743 7.1411 7.1411 7.2514 7.2514 7.6652 7.6652 7.8105 7.8105 7.9401 7.9401 8.0433 8.0433 8.1714 8.1714 8.2479 8.2479 8.8518 8.8518 9.0555 9.0555 9.4415 9.4415 14.0407 14.0407 14.0833 14.0833 14.3392 14.3392 14.4990 14.4990 k = 0.0000 0.0000 0.5273 ( 2760 PWs) bands (ev): -29.7031 -29.7031 -11.0328 -11.0328 -10.6677 -10.6677 -10.6518 -10.6518 -1.6956 -1.6956 1.4563 1.4563 4.2392 4.2392 5.7014 5.7014 5.9766 5.9766 6.3774 6.3774 7.1445 7.1445 7.2601 7.2601 7.6524 7.6524 7.7975 7.7975 7.9343 7.9343 8.0401 8.0401 8.1997 8.1997 8.2224 8.2224 8.8127 8.8127 9.0541 9.0541 9.4188 9.4188 13.9684 13.9684 13.9963 13.9963 14.3917 14.3917 14.4761 14.4761 k = 0.0000 0.0000 0.5449 ( 2752 PWs) bands (ev): -29.7028 -29.7028 -11.0338 -11.0338 -10.6695 -10.6695 -10.6521 -10.6521 -1.6646 -1.6646 1.4534 1.4534 4.2487 4.2487 5.7049 5.7049 5.9131 5.9131 6.3805 6.3805 7.1481 7.1481 7.2685 7.2685 7.6394 7.6394 7.7847 7.7847 7.9286 7.9286 8.0367 8.0367 8.1795 8.1795 8.2473 8.2473 8.7748 8.7748 9.0525 9.0525 9.3959 9.3959 13.8469 13.8469 13.9412 13.9412 14.4111 14.4111 14.4586 14.4586 k = 0.0000 0.0000 0.5625 ( 2748 PWs) bands (ev): -29.7026 -29.7026 -11.0349 -11.0349 -10.6712 -10.6712 -10.6524 -10.6524 -1.6343 -1.6343 1.4507 1.4507 4.2580 4.2580 5.7110 5.7110 5.8514 5.8514 6.3835 6.3835 7.1518 7.1518 7.2762 7.2762 7.6260 7.6260 7.7721 7.7721 7.9232 7.9232 8.0327 8.0327 8.1497 8.1497 8.2838 8.2838 8.7377 8.7377 9.0510 9.0510 9.3726 9.3726 13.7239 13.7239 13.8789 13.8789 14.3605 14.3605 14.5303 14.5304 k = 0.0000 0.0000 0.5801 ( 2750 PWs) bands (ev): -29.7024 -29.7024 -11.0359 -11.0359 -10.6730 -10.6730 -10.6527 -10.6527 -1.6048 -1.6048 1.4483 1.4483 4.2674 4.2674 5.7191 5.7191 5.7916 5.7916 6.3863 6.3863 7.1553 7.1553 7.2836 7.2836 7.6124 7.6124 7.7596 7.7596 7.9180 7.9180 8.0274 8.0274 8.1215 8.1215 8.3214 8.3214 8.7015 8.7015 9.0493 9.0493 9.3487 9.3487 13.6016 13.6016 13.8126 13.8126 14.3201 14.3201 14.6072 14.6073 k = 0.0000 0.0000 0.5977 ( 2752 PWs) bands (ev): -29.7022 -29.7022 -11.0370 -11.0370 -10.6747 -10.6747 -10.6530 -10.6530 -1.5762 -1.5762 1.4460 1.4460 4.2772 4.2772 5.7247 5.7247 5.7381 5.7381 6.3891 6.3891 7.1591 7.1591 7.2902 7.2902 7.5986 7.5986 7.7475 7.7475 7.9130 7.9130 8.0190 8.0190 8.0972 8.0972 8.3597 8.3597 8.6662 8.6662 9.0476 9.0476 9.3241 9.3241 13.4809 13.4809 13.7460 13.7460 14.2875 14.2875 14.6882 14.6882 k = 0.0000 0.0000 0.6152 ( 2756 PWs) bands (ev): -29.7020 -29.7020 -11.0380 -11.0380 -10.6763 -10.6763 -10.6532 -10.6532 -1.5486 -1.5486 1.4440 1.4440 4.2875 4.2875 5.6762 5.6762 5.7423 5.7423 6.3917 6.3917 7.1628 7.1628 7.2962 7.2962 7.5848 7.5848 7.7357 7.7357 7.9081 7.9081 8.0055 8.0055 8.0792 8.0792 8.3984 8.3984 8.6318 8.6318 9.0459 9.0459 9.2986 9.2986 13.3623 13.3623 13.6821 13.6821 14.2605 14.2605 14.7728 14.7728 k = 0.0000 0.0000 0.6328 ( 2754 PWs) bands (ev): -29.7018 -29.7018 -11.0389 -11.0389 -10.6779 -10.6779 -10.6534 -10.6534 -1.5220 -1.5220 1.4421 1.4421 4.2986 4.2986 5.6227 5.6227 5.7549 5.7549 6.3942 6.3942 7.1666 7.1666 7.3015 7.3015 7.5709 7.5709 7.7243 7.7243 7.9030 7.9030 7.9867 7.9867 8.0684 8.0684 8.4374 8.4374 8.5983 8.5983 9.0441 9.0441 9.2723 9.2723 13.2462 13.2462 13.6231 13.6231 14.2373 14.2373 14.8609 14.8609 k = 0.0000 0.0000 0.6504 ( 2758 PWs) bands (ev): -29.7016 -29.7016 -11.0398 -11.0398 -10.6794 -10.6794 -10.6536 -10.6536 -1.4966 -1.4966 1.4405 1.4405 4.3106 4.3106 5.5711 5.5711 5.7685 5.7685 6.3966 6.3966 7.1705 7.1705 7.3060 7.3060 7.5570 7.5570 7.7132 7.7132 7.8966 7.8966 7.9657 7.9657 8.0627 8.0627 8.4765 8.4765 8.5656 8.5656 9.0423 9.0423 9.2451 9.2451 13.1328 13.1328 13.5705 13.5705 14.2168 14.2168 14.9521 14.9521 k = 0.0000 0.0000 0.6680 ( 2760 PWs) bands (ev): -29.7014 -29.7014 -11.0407 -11.0407 -10.6809 -10.6809 -10.6538 -10.6538 -1.4723 -1.4723 1.4391 1.4391 4.3237 4.3237 5.5217 5.5217 5.7825 5.7825 6.3989 6.3989 7.1744 7.1744 7.3098 7.3098 7.5431 7.5431 7.7024 7.7024 7.8870 7.8870 7.9466 7.9466 8.0600 8.0600 8.5147 8.5147 8.5346 8.5346 9.0405 9.0405 9.2173 9.2173 13.0225 13.0225 13.5254 13.5254 14.1983 14.1983 15.0463 15.0463 k = 0.0000 0.0000 0.6856 ( 2760 PWs) bands (ev): -29.7012 -29.7012 -11.0416 -11.0416 -10.6822 -10.6822 -10.6540 -10.6540 -1.4493 -1.4493 1.4378 1.4378 4.3379 4.3379 5.4747 5.4747 5.7967 5.7967 6.4010 6.4010 7.1784 7.1784 7.3129 7.3129 7.5293 7.5293 7.6921 7.6921 7.8718 7.8718 7.9334 7.9334 8.0588 8.0588 8.5017 8.5017 8.5555 8.5555 9.0387 9.0387 9.1890 9.1890 12.9154 12.9154 13.4884 13.4884 14.1812 14.1812 15.1434 15.1434 k = 0.0000 0.0000 0.7031 ( 2754 PWs) bands (ev): -29.7010 -29.7010 -11.0423 -11.0423 -10.6835 -10.6835 -10.6541 -10.6541 -1.4277 -1.4277 1.4368 1.4368 4.3533 4.3533 5.4301 5.4301 5.8106 5.8106 6.4031 6.4031 7.1825 7.1825 7.3152 7.3152 7.5157 7.5157 7.6821 7.6821 7.8512 7.8512 7.9266 7.9266 8.0587 8.0587 8.4715 8.4715 8.5941 8.5941 9.0367 9.0367 9.1604 9.1604 12.8119 12.8119 13.4598 13.4598 14.1650 14.1650 15.2431 15.2431 k = 0.0000 0.0000 0.7207 ( 2754 PWs) bands (ev): -29.7008 -29.7008 -11.0431 -11.0431 -10.6847 -10.6847 -10.6543 -10.6543 -1.4073 -1.4073 1.4358 1.4358 4.3698 4.3698 5.3879 5.3879 5.8240 5.8240 6.4049 6.4049 7.1866 7.1866 7.3169 7.3169 7.5021 7.5021 7.6726 7.6726 7.8276 7.8276 7.9242 7.9242 8.0590 8.0590 8.4418 8.4418 8.6324 8.6324 9.0345 9.0345 9.1321 9.1321 12.7122 12.7122 13.4398 13.4398 14.1497 14.1497 15.3451 15.3451 k = 0.0000 0.0000 0.7383 ( 2758 PWs) bands (ev): -29.7006 -29.7006 -11.0438 -11.0438 -10.6859 -10.6859 -10.6544 -10.6544 -1.3884 -1.3884 1.4351 1.4351 4.3875 4.3875 5.3483 5.3483 5.8367 5.8367 6.4066 6.4066 7.1909 7.1909 7.3178 7.3178 7.4888 7.4888 7.6635 7.6635 7.8029 7.8029 7.9245 7.9245 8.0596 8.0596 8.4128 8.4128 8.6701 8.6701 9.0317 9.0317 9.1047 9.1047 12.6166 12.6166 13.4283 13.4283 14.1349 14.1349 15.3992 15.3992 k = 0.0000 0.0000 0.7559 ( 2766 PWs) bands (ev): -29.7005 -29.7005 -11.0445 -11.0445 -10.6870 -10.6870 -10.6545 -10.6545 -1.3708 -1.3708 1.4344 1.4344 4.4061 4.4061 5.3112 5.3112 5.8482 5.8482 6.4082 6.4082 7.1951 7.1951 7.3182 7.3182 7.4757 7.4757 7.6549 7.6549 7.7783 7.7783 7.9266 7.9266 8.0605 8.0605 8.3846 8.3846 8.7069 8.7069 9.0270 9.0270 9.0796 9.0796 12.5253 12.5253 13.4250 13.4250 14.1205 14.1205 15.4182 15.4182 k = 0.0000 0.0000 0.7734 ( 2766 PWs) bands (ev): -29.7003 -29.7003 -11.0451 -11.0451 -10.6880 -10.6880 -10.6546 -10.6546 -1.3545 -1.3545 1.4339 1.4339 4.4256 4.4256 5.2767 5.2767 5.8586 5.8586 6.4096 6.4096 7.1994 7.1994 7.3181 7.3181 7.4629 7.4629 7.6468 7.6468 7.7544 7.7544 7.9303 7.9303 8.0614 8.0614 8.3571 8.3571 8.7424 8.7424 9.0179 9.0179 9.0601 9.0601 12.4387 12.4387 13.4297 13.4297 14.1063 14.1063 15.4361 15.4361 k = 0.0000 0.0000 0.7910 ( 2762 PWs) bands (ev): -29.7002 -29.7002 -11.0456 -11.0456 -10.6889 -10.6889 -10.6547 -10.6547 -1.3397 -1.3397 1.4335 1.4335 4.4456 4.4456 5.2448 5.2448 5.8677 5.8677 6.4109 6.4109 7.2038 7.2038 7.3176 7.3176 7.4504 7.4504 7.6392 7.6392 7.7314 7.7314 7.9352 7.9352 8.0625 8.0625 8.3305 8.3305 8.7765 8.7765 9.0017 9.0017 9.0492 9.0492 12.3571 12.3571 13.4419 13.4419 14.0921 14.0921 15.4527 15.4527 k = 0.0000 0.0000 0.8086 ( 2766 PWs) bands (ev): -29.7001 -29.7001 -11.0462 -11.0462 -10.6898 -10.6898 -10.6548 -10.6548 -1.3262 -1.3262 1.4332 1.4332 4.4658 4.4658 5.2156 5.2156 5.8754 5.8754 6.4121 6.4121 7.2081 7.2081 7.3169 7.3169 7.4383 7.4383 7.6322 7.6322 7.7097 7.7097 7.9413 7.9413 8.0635 8.0635 8.3046 8.3046 8.8085 8.8085 8.9811 8.9811 9.0447 9.0447 12.2808 12.2808 13.4610 13.4610 14.0777 14.0777 15.4677 15.4677 k = 0.0000 0.0000 0.8262 ( 2768 PWs) bands (ev): -29.7000 -29.7000 -11.0467 -11.0467 -10.6905 -10.6905 -10.6548 -10.6548 -1.3142 -1.3142 1.4329 1.4329 4.4860 4.4860 5.1891 5.1891 5.8816 5.8816 6.4131 6.4131 7.2124 7.2124 7.3160 7.3160 7.4266 7.4266 7.6257 7.6257 7.6893 7.6893 7.9485 7.9485 8.0644 8.0644 8.2796 8.2796 8.8378 8.8378 8.9601 8.9601 9.0431 9.0431 12.2102 12.2102 13.4863 13.4863 14.0630 14.0630 15.4809 15.4809 k = 0.0000 0.0000 0.8438 ( 2768 PWs) bands (ev): -29.6999 -29.6999 -11.0471 -11.0471 -10.6912 -10.6912 -10.6549 -10.6549 -1.3034 -1.3034 1.4328 1.4328 4.5058 4.5058 5.1653 5.1653 5.8864 5.8864 6.4141 6.4141 7.2165 7.2165 7.3152 7.3152 7.4154 7.4154 7.6198 7.6198 7.6706 7.6706 7.9568 7.9568 8.0652 8.0652 8.2556 8.2556 8.8632 8.8632 8.9414 8.9414 9.0431 9.0431 12.1456 12.1456 13.5170 13.5170 14.0475 14.0475 15.4919 15.4919 k = 0.0000 0.0000 0.8613 ( 2770 PWs) bands (ev): -29.6998 -29.6998 -11.0475 -11.0475 -10.6918 -10.6918 -10.6550 -10.6550 -1.2940 -1.2940 1.4326 1.4326 4.5247 4.5247 5.1443 5.1443 5.8900 5.8900 6.4149 6.4149 7.2204 7.2204 7.3146 7.3146 7.4048 7.4048 7.6144 7.6144 7.6537 7.6537 7.9659 7.9659 8.0659 8.0659 8.2326 8.2326 8.8812 8.8812 8.9287 8.9287 9.0442 9.0442 12.0874 12.0874 13.5522 13.5522 14.0311 14.0311 15.5004 15.5004 k = 0.0000 0.0000 0.8789 ( 2770 PWs) bands (ev): -29.6997 -29.6997 -11.0478 -11.0478 -10.6923 -10.6923 -10.6550 -10.6550 -1.2859 -1.2859 1.4326 1.4326 4.5423 4.5423 5.1261 5.1261 5.8924 5.8924 6.4155 6.4155 7.2241 7.2241 7.3144 7.3144 7.3949 7.3949 7.6096 7.6096 7.6388 7.6388 7.9760 7.9760 8.0663 8.0663 8.2107 8.2107 8.8840 8.8840 8.9298 8.9298 9.0465 9.0465 12.0361 12.0361 13.5910 13.5910 14.0134 14.0134 15.5057 15.5057 k = 0.0000 0.0000 0.8965 ( 2774 PWs) bands (ev): -29.6996 -29.6996 -11.0481 -11.0481 -10.6928 -10.6928 -10.6550 -10.6550 -1.2791 -1.2791 1.4325 1.4325 4.5581 4.5581 5.1106 5.1106 5.8939 5.8939 6.4161 6.4161 7.2273 7.2273 7.3146 7.3146 7.3857 7.3857 7.6053 7.6053 7.6261 7.6261 7.9868 7.9868 8.0664 8.0664 8.1903 8.1903 8.8754 8.8754 8.9409 8.9409 9.0496 9.0496 11.9919 11.9919 13.6321 13.6321 13.9939 13.9939 15.5073 15.5073 k = 0.0000 0.0000 0.9141 ( 2770 PWs) bands (ev): -29.6996 -29.6996 -11.0483 -11.0483 -10.6931 -10.6931 -10.6551 -10.6551 -1.2735 -1.2735 1.4325 1.4325 4.5718 4.5718 5.0979 5.0979 5.8947 5.8947 6.4166 6.4166 7.2300 7.2300 7.3153 7.3153 7.3775 7.3775 7.6012 7.6012 7.6159 7.6159 7.9981 7.9981 8.0661 8.0661 8.1716 8.1716 8.8652 8.8652 8.9521 8.9521 9.0535 9.0535 11.9551 11.9551 13.6744 13.6744 13.9724 13.9724 15.5052 15.5052 k = 0.0000 0.0000 0.9317 ( 2766 PWs) bands (ev): -29.6995 -29.6995 -11.0484 -11.0484 -10.6934 -10.6934 -10.6551 -10.6551 -1.2692 -1.2692 1.4325 1.4325 4.5830 4.5830 5.0880 5.0880 5.8950 5.8950 6.4170 6.4170 7.2322 7.2322 7.3164 7.3164 7.3704 7.3704 7.5974 7.5974 7.6087 7.6087 8.0096 8.0096 8.0650 8.0650 8.1553 8.1553 8.8565 8.8565 8.9610 8.9610 9.0576 9.0576 11.9262 11.9262 13.7164 13.7164 13.9488 13.9488 15.4997 15.4998 k = 0.0000 0.0000 0.9492 ( 2766 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6936 -10.6936 -10.6551 -10.6551 -1.2662 -1.2662 1.4325 1.4325 4.5912 4.5912 5.0809 5.0809 5.8951 5.8951 6.4172 6.4172 7.2337 7.2337 7.3177 7.3177 7.3648 7.3648 7.5937 7.5937 7.6043 7.6043 8.0205 8.0205 8.0629 8.0629 8.1421 8.1421 8.8500 8.8500 8.9669 8.9669 9.0613 9.0613 11.9054 11.9054 13.7561 13.7561 13.9234 13.9234 15.4927 15.4927 k = 0.0000 0.0000 0.9668 ( 2772 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6937 -10.6937 -10.6551 -10.6551 -1.2643 -1.2643 1.4325 1.4325 4.5962 4.5962 5.0767 5.0767 5.8950 5.8950 6.4174 6.4174 7.2346 7.2346 7.3188 7.3188 7.3610 7.3610 7.5909 7.5909 7.6021 7.6021 8.0296 8.0296 8.0600 8.0600 8.1333 8.1333 8.8459 8.8459 8.9703 8.9703 9.0638 9.0638 11.8928 11.8928 13.7898 13.7898 13.8988 13.8988 15.4868 15.4868 k = 0.0000 0.0000 0.9844 ( 2780 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6938 -10.6938 -10.6551 -10.6551 -1.2637 -1.2637 1.4325 1.4325 4.5979 4.5979 5.0753 5.0753 5.8950 5.8950 6.4174 6.4174 7.2349 7.2349 7.3192 7.3192 7.3597 7.3597 7.5899 7.5899 7.6014 7.6014 8.0335 8.0335 8.0582 8.0582 8.1302 8.1302 8.8445 8.8445 8.9714 8.9714 9.0647 9.0647 11.8886 11.8886 13.8058 13.8058 13.8860 13.8860 15.4844 15.4844 k = 0.0000 0.0000 0.9844 ( 2780 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6938 -10.6938 -10.6551 -10.6551 -1.2637 -1.2637 1.4325 1.4325 4.5979 4.5979 5.0753 5.0753 5.8950 5.8950 6.4174 6.4174 7.2349 7.2349 7.3192 7.3192 7.3597 7.3597 7.5899 7.5899 7.6014 7.6014 8.0335 8.0335 8.0582 8.0582 8.1302 8.1302 8.8445 8.8445 8.9714 8.9714 9.0647 9.0647 11.8886 11.8886 13.8058 13.8058 13.8860 13.8860 15.4844 15.4844 k =-0.0087 0.0147 0.9844 ( 2772 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6937 -10.6937 -10.6551 -10.6551 -1.2636 -1.2636 1.4301 1.4301 4.5990 4.5990 5.0778 5.0778 5.8941 5.8941 6.4168 6.4168 7.2346 7.2346 7.3189 7.3189 7.3602 7.3602 7.5888 7.5888 7.6021 7.6021 8.0331 8.0331 8.0582 8.0582 8.1313 8.1313 8.8445 8.8445 8.9739 8.9739 9.0667 9.0667 11.8890 11.8890 13.8059 13.8059 13.8874 13.8874 15.4829 15.4829 k =-0.0174 0.0295 0.9844 ( 2768 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6936 -10.6936 -10.6551 -10.6551 -1.2633 -1.2633 1.4229 1.4229 4.6024 4.6024 5.0854 5.0854 5.8915 5.8915 6.4148 6.4148 7.2334 7.2334 7.3182 7.3182 7.3616 7.3616 7.5860 7.5860 7.6035 7.6035 8.0315 8.0315 8.0582 8.0582 8.1347 8.1347 8.8445 8.8445 8.9810 8.9810 9.0727 9.0727 11.8902 11.8902 13.8060 13.8060 13.8914 13.8914 15.4784 15.4784 k =-0.0261 0.0442 0.9844 ( 2764 PWs) bands (ev): -29.6995 -29.6995 -11.0485 -11.0485 -10.6934 -10.6934 -10.6551 -10.6551 -1.2627 -1.2627 1.4111 1.4111 4.6080 4.6080 5.0979 5.0979 5.8870 5.8870 6.4117 6.4117 7.2315 7.2315 7.3169 7.3169 7.3639 7.3639 7.5821 7.5821 7.6049 7.6049 8.0280 8.0280 8.0583 8.0583 8.1414 8.1414 8.8444 8.8444 8.9924 8.9924 9.0831 9.0831 11.8922 11.8922 13.8063 13.8063 13.8978 13.8978 15.4714 15.4714 k =-0.0348 0.0590 0.9844 ( 2760 PWs) bands (ev): -29.6996 -29.6996 -11.0483 -11.0483 -10.6931 -10.6931 -10.6551 -10.6551 -1.2618 -1.2618 1.3948 1.3948 4.6158 4.6158 5.1152 5.1152 5.8808 5.8808 6.4074 6.4074 7.2289 7.2289 7.3152 7.3152 7.3671 7.3671 7.5777 7.5777 7.6060 7.6060 8.0223 8.0223 8.0584 8.0584 8.1520 8.1520 8.8444 8.8444 9.0072 9.0072 9.0981 9.0981 11.8950 11.8950 13.8068 13.8068 13.9059 13.9059 15.4628 15.4628 k =-0.0435 0.0737 0.9844 ( 2774 PWs) bands (ev): -29.6996 -29.6996 -11.0481 -11.0481 -10.6928 -10.6928 -10.6552 -10.6552 -1.2609 -1.2609 1.3742 1.3742 4.6259 4.6259 5.1370 5.1370 5.8728 5.8728 6.4021 6.4021 7.2256 7.2256 7.3133 7.3133 7.3710 7.3710 7.5726 7.5726 7.6064 7.6064 8.0140 8.0140 8.0584 8.0584 8.1667 8.1667 8.8444 8.8444 9.0247 9.0247 9.1182 9.1182 11.8987 11.8987 13.8074 13.8074 13.9148 13.9148 15.4536 15.4536 k =-0.0522 0.0884 0.9844 ( 2774 PWs) bands (ev): -29.6997 -29.6997 -11.0479 -11.0479 -10.6924 -10.6924 -10.6553 -10.6553 -1.2597 -1.2597 1.3495 1.3495 4.6382 4.6382 5.1630 5.1630 5.8630 5.8630 6.3961 6.3961 7.2216 7.2216 7.3113 7.3113 7.3757 7.3757 7.5672 7.5672 7.6064 7.6064 8.0039 8.0039 8.0582 8.0582 8.1859 8.1859 8.8446 8.8446 9.0442 9.0442 9.1437 9.1437 11.9033 11.9033 13.8082 13.8082 13.9234 13.9234 15.4451 15.4451 k =-0.0608 0.1032 0.9844 ( 2770 PWs) bands (ev): -29.6998 -29.6998 -11.0476 -11.0476 -10.6919 -10.6919 -10.6553 -10.6553 -1.2584 -1.2584 1.3210 1.3210 4.6527 4.6527 5.1928 5.1928 5.8515 5.8515 6.3895 6.3895 7.2171 7.2171 7.3094 7.3094 7.3811 7.3811 7.5614 7.5614 7.6057 7.6057 7.9924 7.9924 8.0578 8.0578 8.2092 8.2092 8.8449 8.8449 9.0655 9.0655 9.1746 9.1746 11.9087 11.9087 13.8093 13.8093 13.9306 13.9306 15.4390 15.4390 k =-0.0695 0.1179 0.9844 ( 2770 PWs) bands (ev): -29.6998 -29.6998 -11.0473 -11.0473 -10.6913 -10.6913 -10.6554 -10.6554 -1.2571 -1.2571 1.2891 1.2891 4.6693 4.6693 5.2262 5.2262 5.8383 5.8383 6.3824 6.3824 7.2121 7.2121 7.3076 7.3076 7.3870 7.3870 7.5553 7.5553 7.6044 7.6044 7.9801 7.9801 8.0571 8.0571 8.2361 8.2361 8.8454 8.8454 9.0884 9.0884 9.2104 9.2104 11.9151 11.9151 13.8107 13.8107 13.9348 13.9348 15.4365 15.4365 k =-0.0782 0.1327 0.9844 ( 2770 PWs) bands (ev): -29.6999 -29.6999 -11.0469 -11.0469 -10.6906 -10.6906 -10.6555 -10.6555 -1.2557 -1.2557 1.2539 1.2539 4.6882 4.6882 5.2626 5.2626 5.8234 5.8234 6.3752 6.3752 7.2063 7.2063 7.3061 7.3061 7.3935 7.3935 7.5490 7.5490 7.6024 7.6024 7.9676 7.9676 8.0563 8.0563 8.2662 8.2662 8.8461 8.8461 9.1131 9.1131 9.2507 9.2507 11.9225 11.9225 13.8125 13.8125 13.9346 13.9346 15.4387 15.4387 k =-0.0869 0.1474 0.9844 ( 2774 PWs) bands (ev): -29.7000 -29.7000 -11.0465 -11.0465 -10.6899 -10.6899 -10.6556 -10.6556 -1.2543 -1.2543 1.2158 1.2158 4.7093 4.7093 5.3018 5.3018 5.8070 5.8070 6.3681 6.3681 7.1999 7.1999 7.3051 7.3051 7.4002 7.4002 7.5425 7.5425 7.5998 7.5998 7.9551 7.9551 8.0553 8.0553 8.2993 8.2993 8.8470 8.8470 9.1401 9.1401 9.2949 9.2949 11.9309 11.9309 13.8146 13.8146 13.9289 13.9289 15.4460 15.4460 k =-0.0869 0.1474 0.9844 ( 2774 PWs) bands (ev): -29.7000 -29.7000 -11.0465 -11.0465 -10.6899 -10.6899 -10.6556 -10.6556 -1.2543 -1.2543 1.2158 1.2158 4.7093 4.7093 5.3018 5.3018 5.8070 5.8070 6.3681 6.3681 7.1999 7.1999 7.3051 7.3051 7.4002 7.4002 7.5425 7.5425 7.5998 7.5998 7.9551 7.9551 8.0553 8.0553 8.2993 8.2993 8.8470 8.8470 9.1401 9.1401 9.2949 9.2949 11.9309 11.9309 13.8146 13.8146 13.9289 13.9289 15.4460 15.4460 k =-0.0932 0.1580 0.9721 ( 2772 PWs) bands (ev): -29.7001 -29.7001 -11.0462 -11.0462 -10.6893 -10.6893 -10.6556 -10.6556 -1.2535 -1.2535 1.1869 1.1869 4.7245 4.7245 5.3320 5.3320 5.7949 5.7949 6.3629 6.3629 7.1949 7.1949 7.3048 7.3048 7.4055 7.4055 7.5382 7.5382 7.5977 7.5977 7.9464 7.9464 8.0543 8.0543 8.3251 8.3251 8.8487 8.8487 9.1600 9.1600 9.3293 9.3293 11.9397 11.9397 13.8117 13.8117 13.9236 13.9236 15.4563 15.4563 k =-0.0994 0.1686 0.9597 ( 2768 PWs) bands (ev): -29.7002 -29.7002 -11.0458 -11.0458 -10.6887 -10.6887 -10.6556 -10.6556 -1.2533 -1.2533 1.1571 1.1571 4.7380 4.7380 5.3642 5.3642 5.7836 5.7836 6.3576 6.3576 7.1894 7.1894 7.3051 7.3051 7.4113 7.4113 7.5346 7.5346 7.5957 7.5957 7.9381 7.9381 8.0526 8.0526 8.3522 8.3522 8.8529 8.8529 9.1792 9.1792 9.3663 9.3663 11.9529 11.9529 13.8005 13.8005 13.9188 13.9188 15.4739 15.4739 k =-0.1057 0.1793 0.9474 ( 2764 PWs) bands (ev): -29.7003 -29.7003 -11.0454 -11.0454 -10.6880 -10.6880 -10.6556 -10.6556 -1.2536 -1.2536 1.1265 1.1265 4.7495 4.7495 5.3983 5.3983 5.7737 5.7737 6.3522 6.3522 7.1835 7.1835 7.3059 7.3059 7.4174 7.4174 7.5319 7.5319 7.5937 7.5937 7.9302 7.9302 8.0506 8.0506 8.3798 8.3798 8.8596 8.8596 9.1974 9.1974 9.4061 9.4061 11.9705 11.9705 13.7834 13.7834 13.9121 13.9121 15.4989 15.4989 k =-0.1120 0.1899 0.9351 ( 2762 PWs) bands (ev): -29.7004 -29.7004 -11.0450 -11.0450 -10.6873 -10.6873 -10.6555 -10.6555 -1.2543 -1.2543 1.0952 1.0952 4.7586 4.7586 5.4340 5.4340 5.7656 5.7656 6.3468 6.3468 7.1771 7.1771 7.3075 7.3075 7.4234 7.4234 7.5302 7.5302 7.5915 7.5915 7.9229 7.9229 8.0483 8.0483 8.4073 8.4073 8.8694 8.8694 9.2146 9.2146 9.4490 9.4490 11.9924 11.9924 13.7625 13.7625 13.9016 13.9016 15.5292 15.5293 k =-0.1182 0.2005 0.9228 ( 2759 PWs) bands (ev): -29.7006 -29.7006 -11.0446 -11.0446 -10.6867 -10.6867 -10.6553 -10.6553 -1.2555 -1.2555 1.0636 1.0636 4.7650 4.7650 5.4710 5.4710 5.7598 5.7598 6.3413 6.3413 7.1704 7.1704 7.3097 7.3097 7.4288 7.4288 7.5298 7.5298 7.5892 7.5892 7.9164 7.9164 8.0458 8.0458 8.4339 8.4339 8.8824 8.8824 9.2308 9.2308 9.4952 9.4952 12.0184 12.0184 13.7389 13.7389 13.8866 13.8866 15.5554 15.5554 k =-0.1245 0.2111 0.9105 ( 2761 PWs) bands (ev): -29.7007 -29.7007 -11.0442 -11.0442 -10.6861 -10.6861 -10.6550 -10.6550 -1.2571 -1.2571 1.0317 1.0317 4.7684 4.7684 5.5091 5.5091 5.7565 5.7565 6.3359 6.3359 7.1631 7.1631 7.3127 7.3127 7.4333 7.4333 7.5310 7.5310 7.5867 7.5867 7.9105 7.9105 8.0431 8.0431 8.4593 8.4593 8.8991 8.8991 9.2460 9.2460 9.5448 9.5448 12.0485 12.0485 13.7134 13.7134 13.8671 13.8671 15.5523 15.5523 k =-0.1307 0.2217 0.8981 ( 2763 PWs) bands (ev): -29.7008 -29.7008 -11.0437 -11.0437 -10.6855 -10.6855 -10.6547 -10.6547 -1.2590 -1.2590 0.9998 0.9998 4.7687 4.7687 5.5481 5.5481 5.7560 5.7560 6.3306 6.3306 7.1553 7.1553 7.3164 7.3164 7.4364 7.4364 7.5339 7.5339 7.5843 7.5843 7.9053 7.9053 8.0401 8.0401 8.4829 8.4829 8.9195 8.9195 9.2602 9.2602 9.5982 9.5982 12.0825 12.0825 13.6866 13.6866 13.8432 13.8432 15.5198 15.5198 k =-0.1370 0.2323 0.8858 ( 2767 PWs) bands (ev): -29.7010 -29.7010 -11.0433 -11.0433 -10.6849 -10.6849 -10.6542 -10.6542 -1.2612 -1.2612 0.9679 0.9679 4.7658 4.7658 5.5877 5.5877 5.7582 5.7582 6.3256 6.3256 7.1471 7.1471 7.3208 7.3208 7.4380 7.4380 7.5383 7.5383 7.5823 7.5823 7.9009 7.9009 8.0369 8.0369 8.5048 8.5048 8.9434 8.9434 9.2735 9.2735 9.6553 9.6553 12.1202 12.1202 13.6589 13.6589 13.8156 13.8156 15.4742 15.4742 k =-0.1433 0.2429 0.8735 ( 2769 PWs) bands (ev): -29.7011 -29.7011 -11.0429 -11.0429 -10.6845 -10.6845 -10.6536 -10.6536 -1.2638 -1.2638 0.9362 0.9362 4.7598 4.7598 5.6278 5.6278 5.7631 5.7631 6.3209 6.3209 7.1382 7.1382 7.3257 7.3257 7.4382 7.4382 7.5434 7.5434 7.5815 7.5815 7.8971 7.8971 8.0336 8.0336 8.5251 8.5251 8.9707 8.9707 9.2859 9.2859 9.7164 9.7164 12.1614 12.1614 13.6307 13.6307 13.7848 13.7848 15.4217 15.4217 k =-0.1495 0.2536 0.8612 ( 2765 PWs) bands (ev): -29.7013 -29.7013 -11.0424 -11.0424 -10.6841 -10.6841 -10.6528 -10.6528 -1.2666 -1.2666 0.9049 0.9049 4.7509 4.7509 5.6681 5.6681 5.7706 5.7706 6.3167 6.3167 7.1288 7.1288 7.3311 7.3311 7.4372 7.4372 7.5478 7.5478 7.5832 7.5832 7.8939 7.8939 8.0299 8.0299 8.5439 8.5439 9.0009 9.0009 9.2974 9.2974 9.7814 9.7814 12.2059 12.2059 13.6020 13.6020 13.7514 13.7514 15.3648 15.3648 k =-0.1558 0.2642 0.8488 ( 2763 PWs) bands (ev): -29.7014 -29.7014 -11.0419 -11.0419 -10.6838 -10.6838 -10.6520 -10.6520 -1.2696 -1.2696 0.8741 0.8741 4.7393 4.7393 5.7083 5.7083 5.7803 5.7803 6.3131 6.3131 7.1186 7.1186 7.3369 7.3369 7.4355 7.4355 7.5500 7.5500 7.5887 7.5887 7.8912 7.8912 8.0260 8.0260 8.5619 8.5619 9.0334 9.0334 9.3082 9.3082 9.8505 9.8505 12.2536 12.2536 13.5732 13.5732 13.7160 13.7160 15.3046 15.3046 k =-0.1620 0.2748 0.8365 ( 2765 PWs) bands (ev): -29.7016 -29.7016 -11.0415 -11.0415 -10.6836 -10.6836 -10.6509 -10.6509 -1.2728 -1.2728 0.8439 0.8439 4.7254 4.7254 5.7480 5.7480 5.7922 5.7922 6.3104 6.3104 7.1077 7.1077 7.3427 7.3427 7.4333 7.4333 7.5498 7.5498 7.5977 7.5977 7.8889 7.8889 8.0217 8.0217 8.5794 8.5794 9.0675 9.0675 9.3183 9.3183 9.9236 9.9236 12.3042 12.3042 13.5443 13.5443 13.6791 13.6791 15.2420 15.2420 k =-0.1683 0.2854 0.8242 ( 2767 PWs) bands (ev): -29.7017 -29.7017 -11.0411 -11.0411 -10.6835 -10.6835 -10.6498 -10.6498 -1.2761 -1.2761 0.8145 0.8145 4.7096 4.7096 5.7850 5.7850 5.8077 5.8077 6.3086 6.3086 7.0960 7.0960 7.3485 7.3485 7.4312 7.4312 7.5484 7.5484 7.6089 7.6089 7.8869 7.8869 8.0169 8.0169 8.5970 8.5970 9.1025 9.1025 9.3279 9.3279 10.0006 10.0006 12.3576 12.3576 13.5155 13.5155 13.6412 13.6412 15.1777 15.1777 k =-0.1745 0.2960 0.8119 ( 2767 PWs) bands (ev): -29.7019 -29.7019 -11.0407 -11.0407 -10.6835 -10.6835 -10.6486 -10.6486 -1.2795 -1.2795 0.7858 0.7858 4.6922 4.6922 5.8098 5.8098 5.8355 5.8355 6.3080 6.3080 7.0833 7.0833 7.3540 7.3540 7.4295 7.4295 7.5467 7.5467 7.6213 7.6213 7.8852 7.8852 8.0118 8.0118 8.6152 8.6152 9.1378 9.1378 9.3369 9.3369 10.0816 10.0816 12.4135 12.4135 13.4867 13.4867 13.6026 13.6026 15.1123 15.1123 k =-0.1808 0.3066 0.7996 ( 2762 PWs) bands (ev): -29.7020 -29.7020 -11.0403 -11.0403 -10.6836 -10.6836 -10.6472 -10.6472 -1.2830 -1.2830 0.7581 0.7581 4.6736 4.6736 5.8251 5.8251 5.8727 5.8727 6.3086 6.3086 7.0699 7.0699 7.3589 7.3589 7.4286 7.4286 7.5453 7.5453 7.6342 7.6342 7.8837 7.8837 8.0062 8.0062 8.6345 8.6345 9.1726 9.1726 9.3456 9.3456 10.1665 10.1665 12.4718 12.4718 13.4579 13.4579 13.5640 13.5640 15.0466 15.0466 k =-0.1871 0.3172 0.7872 ( 2756 PWs) bands (ev): -29.7022 -29.7022 -11.0400 -11.0400 -10.6837 -10.6837 -10.6458 -10.6458 -1.2866 -1.2866 0.7315 0.7315 4.6543 4.6543 5.8382 5.8382 5.9111 5.9111 6.3106 6.3106 7.0555 7.0555 7.3629 7.3629 7.4286 7.4286 7.5444 7.5444 7.6472 7.6472 7.8825 7.8825 8.0001 8.0001 8.6554 8.6554 9.2063 9.2063 9.3539 9.3539 10.2551 10.2551 12.5322 12.5322 13.4286 13.4286 13.5259 13.5259 14.9811 14.9811 k =-0.1933 0.3279 0.7749 ( 2760 PWs) bands (ev): -29.7023 -29.7023 -11.0397 -11.0397 -10.6839 -10.6839 -10.6443 -10.6443 -1.2901 -1.2901 0.7059 0.7059 4.6344 4.6344 5.8501 5.8501 5.9492 5.9492 6.3140 6.3140 7.0402 7.0402 7.3660 7.3660 7.4295 7.4295 7.5444 7.5444 7.6597 7.6597 7.8814 7.8814 7.9934 7.9934 8.6781 8.6781 9.2382 9.2382 9.3621 9.3621 10.3472 10.3472 12.5946 12.5946 13.3986 13.3986 13.4889 13.4889 14.9166 14.9166 k =-0.1996 0.3385 0.7626 ( 2758 PWs) bands (ev): -29.7025 -29.7025 -11.0393 -11.0393 -10.6842 -10.6842 -10.6428 -10.6428 -1.2936 -1.2936 0.6816 0.6816 4.6145 4.6145 5.8607 5.8607 5.9867 5.9867 6.3188 6.3188 7.0240 7.0240 7.3682 7.3682 7.4311 7.4311 7.5455 7.5455 7.6717 7.6717 7.8804 7.8804 7.9863 7.9863 8.7030 8.7030 9.2677 9.2677 9.3702 9.3702 10.4426 10.4426 12.6587 12.6587 13.3670 13.3670 13.4540 13.4540 14.8539 14.8539 k =-0.2058 0.3491 0.7503 ( 2758 PWs) bands (ev): -29.7026 -29.7026 -11.0390 -11.0390 -10.6844 -10.6844 -10.6413 -10.6413 -1.2970 -1.2970 0.6585 0.6585 4.5947 4.5947 5.8701 5.8701 6.0234 6.0234 6.3249 6.3249 7.0071 7.0071 7.3697 7.3697 7.4332 7.4332 7.5478 7.5478 7.6829 7.6829 7.8797 7.8797 7.9786 7.9786 8.7302 8.7302 9.2941 9.2941 9.3786 9.3786 10.5410 10.5410 12.7242 12.7242 13.3334 13.3334 13.4221 13.4221 14.7938 14.7938 k =-0.2121 0.3597 0.7379 ( 2769 PWs) bands (ev): -29.7028 -29.7028 -11.0388 -11.0388 -10.6848 -10.6848 -10.6398 -10.6398 -1.3004 -1.3004 0.6367 0.6367 4.5753 4.5753 5.8779 5.8779 6.0592 6.0592 6.3321 6.3321 6.9895 6.9895 7.3708 7.3708 7.4352 7.4352 7.5514 7.5514 7.6932 7.6932 7.8790 7.8790 7.9703 7.9703 8.7598 8.7598 9.3166 9.3166 9.3874 9.3874 10.6421 10.6421 12.7909 12.7909 13.2973 13.2973 13.3935 13.3935 14.7365 14.7387 k =-0.2184 0.3703 0.7256 ( 2761 PWs) bands (ev): -29.7029 -29.7029 -11.0386 -11.0386 -10.6851 -10.6851 -10.6383 -10.6383 -1.3036 -1.3036 0.6164 0.6164 4.5566 4.5566 5.8844 5.8844 6.0939 6.0939 6.3404 6.3404 6.9713 6.9713 7.3717 7.3717 7.4371 7.4371 7.5564 7.5564 7.7024 7.7024 7.8786 7.8786 7.9617 7.9617 8.7919 8.7919 9.3349 9.3349 9.3967 9.3967 10.7455 10.7455 12.8584 12.8584 13.2593 13.2593 13.3683 13.3683 14.6449 14.6449 k =-0.2246 0.3809 0.7133 ( 2764 PWs) bands (ev): -29.7030 -29.7030 -11.0384 -11.0384 -10.6854 -10.6854 -10.6369 -10.6369 -1.3067 -1.3067 0.5974 0.5974 4.5387 4.5387 5.8896 5.8896 6.1275 6.1275 6.3493 6.3493 6.9528 6.9528 7.3726 7.3726 7.4383 7.4383 7.5626 7.5626 7.7106 7.7106 7.8782 7.8782 7.9526 7.9526 8.8263 8.8263 9.3490 9.3490 9.4062 9.4062 10.8505 10.8505 12.9263 12.9263 13.2201 13.2201 13.3460 13.3460 14.5209 14.5209 k =-0.2309 0.3915 0.7010 ( 2758 PWs) bands (ev): -29.7031 -29.7031 -11.0381 -11.0381 -10.6857 -10.6857 -10.6355 -10.6355 -1.3095 -1.3095 0.5800 0.5800 4.5218 4.5218 5.8936 5.8936 6.1597 6.1597 6.3586 6.3586 6.9340 6.9340 7.3736 7.3736 7.4391 7.4391 7.5700 7.5700 7.7178 7.7178 7.8780 7.8780 7.9433 7.9433 8.8628 8.8628 9.3593 9.3593 9.4151 9.4151 10.9567 10.9567 12.9940 12.9940 13.1807 13.1807 13.3263 13.3263 14.3969 14.3969 k =-0.2371 0.4022 0.6887 ( 2760 PWs) bands (ev): -29.7032 -29.7032 -11.0380 -11.0380 -10.6860 -10.6860 -10.6342 -10.6342 -1.3122 -1.3122 0.5641 0.5641 4.5061 4.5061 5.8964 5.8964 6.1905 6.1905 6.3680 6.3680 6.9151 6.9151 7.3747 7.3747 7.4392 7.4392 7.5780 7.5780 7.7240 7.7240 7.8778 7.8778 7.9337 7.9337 8.9010 8.9010 9.3667 9.3667 9.4222 9.4222 11.0631 11.0631 13.0603 13.0603 13.1422 13.1422 13.3088 13.3088 14.2748 14.2748 k =-0.2434 0.4128 0.6763 ( 2759 PWs) bands (ev): -29.7033 -29.7033 -11.0378 -11.0378 -10.6863 -10.6863 -10.6331 -10.6331 -1.3147 -1.3147 0.5498 0.5498 4.4918 4.4918 5.8985 5.8985 6.2195 6.2195 6.3773 6.3773 6.8965 6.8965 7.3760 7.3760 7.4389 7.4389 7.5866 7.5866 7.7294 7.7294 7.8775 7.8775 7.9242 7.9242 8.9407 8.9407 9.3718 9.3718 9.4268 9.4268 11.1687 11.1687 13.0992 13.0992 13.1307 13.1307 13.2934 13.2934 14.1565 14.1565 k =-0.2497 0.4234 0.6640 ( 2760 PWs) bands (ev): -29.7034 -29.7034 -11.0377 -11.0377 -10.6866 -10.6866 -10.6320 -10.6320 -1.3169 -1.3169 0.5370 0.5370 4.4789 4.4789 5.8999 5.8999 6.2466 6.2466 6.3861 6.3861 6.8784 6.8784 7.3774 7.3774 7.4382 7.4382 7.5952 7.5952 7.7342 7.7342 7.8771 7.8771 7.9148 7.9148 8.9812 8.9812 9.3749 9.3749 9.4286 9.4286 11.2722 11.2722 13.0663 13.0663 13.1895 13.1895 13.2800 13.2800 14.0443 14.0443 k =-0.2559 0.4340 0.6517 ( 2761 PWs) bands (ev): -29.7035 -29.7035 -11.0376 -11.0376 -10.6868 -10.6868 -10.6310 -10.6310 -1.3188 -1.3188 0.5260 0.5260 4.4675 4.4675 5.9008 5.9008 6.2716 6.2716 6.3943 6.3943 6.8611 6.8611 7.3789 7.3789 7.4372 7.4372 7.6036 7.6036 7.7384 7.7384 7.8762 7.8762 7.9061 7.9061 9.0219 9.0219 9.3758 9.3758 9.4277 9.4277 11.3719 11.3719 13.0337 13.0337 13.2450 13.2450 13.2684 13.2684 13.9419 13.9419 k =-0.2622 0.4446 0.6394 ( 2758 PWs) bands (ev): -29.7036 -29.7036 -11.0375 -11.0375 -10.6870 -10.6870 -10.6302 -10.6302 -1.3205 -1.3205 0.5165 0.5165 4.4577 4.4577 5.9012 5.9012 6.2938 6.2938 6.4017 6.4017 6.8451 6.8451 7.3804 7.3804 7.4361 7.4361 7.6114 7.6114 7.7422 7.7422 7.8746 7.8746 7.8987 7.8987 9.0622 9.0622 9.3739 9.3739 9.4248 9.4248 11.4656 11.4656 13.0046 13.0046 13.2584 13.2584 13.2915 13.2915 13.8542 13.8542 k =-0.2684 0.4552 0.6270 ( 2754 PWs) bands (ev): -29.7036 -29.7036 -11.0374 -11.0374 -10.6872 -10.6872 -10.6295 -10.6295 -1.3219 -1.3219 0.5088 0.5088 4.4496 4.4496 5.9014 5.9014 6.3130 6.3130 6.4081 6.4081 6.8310 6.8310 7.3819 7.3819 7.4350 7.4350 7.6183 7.6183 7.7457 7.7457 7.8717 7.8717 7.8932 7.8932 9.1011 9.1011 9.3684 9.3684 9.4212 9.4212 11.5505 11.5505 12.9797 12.9797 13.2504 13.2504 13.3229 13.3229 13.7877 13.7877 k =-0.2747 0.4658 0.6147 ( 2754 PWs) bands (ev): -29.7037 -29.7037 -11.0374 -11.0374 -10.6873 -10.6873 -10.6289 -10.6289 -1.3230 -1.3230 0.5028 0.5028 4.4433 4.4433 5.9015 5.9015 6.3287 6.3287 6.4132 6.4132 6.8191 6.8191 7.3831 7.3831 7.4340 7.4340 7.6241 7.6241 7.7487 7.7487 7.8679 7.8679 7.8898 7.8898 9.1373 9.1373 9.3588 9.3588 9.4182 9.4182 11.6230 11.6230 12.9597 12.9597 13.2441 13.2441 13.3355 13.3355 13.7474 13.7474 k =-0.2809 0.4765 0.6024 ( 2752 PWs) bands (ev): -29.7037 -29.7037 -11.0373 -11.0373 -10.6874 -10.6874 -10.6285 -10.6285 -1.3238 -1.3238 0.4985 0.4985 4.4387 4.4387 5.9015 5.9015 6.3403 6.3403 6.4171 6.4171 6.8100 6.8100 7.3841 7.3841 7.4332 7.4332 7.6284 7.6284 7.7513 7.7513 7.8640 7.8640 7.8881 7.8881 9.1689 9.1689 9.3463 9.3463 9.4163 9.4163 11.6792 11.6792 12.9450 12.9450 13.2397 13.2397 13.3320 13.3320 13.7316 13.7316 k =-0.2872 0.4871 0.5901 ( 2754 PWs) bands (ev): -29.7037 -29.7037 -11.0373 -11.0373 -10.6874 -10.6874 -10.6283 -10.6283 -1.3242 -1.3242 0.4959 0.4959 4.4359 4.4359 5.9014 5.9014 6.3475 6.3475 6.4195 6.4195 6.8044 6.8044 7.3847 7.3847 7.4326 7.4326 7.6310 7.6310 7.7529 7.7529 7.8611 7.8611 7.8873 7.8873 9.1922 9.1922 9.3344 9.3344 9.4153 9.4153 11.7150 11.7150 12.9361 12.9361 13.2370 13.2370 13.3229 13.3229 13.7295 13.7295 k =-0.2935 0.4977 0.5778 ( 2752 PWs) bands (ev): -29.7037 -29.7037 -11.0373 -11.0373 -10.6875 -10.6875 -10.6282 -10.6282 -1.3244 -1.3244 0.4950 0.4950 4.4350 4.4350 5.9014 5.9014 6.3499 6.3499 6.4203 6.4203 6.8024 6.8024 7.3850 7.3850 7.4325 7.4325 7.6319 7.6319 7.7534 7.7534 7.8601 7.8601 7.8870 7.8870 9.2013 9.2013 9.3292 9.3292 9.4150 9.4150 11.7273 11.7273 12.9331 12.9331 13.2361 13.2361 13.3185 13.3185 13.7303 13.7303 k =-0.2935 0.4977 0.5778 ( 2752 PWs) bands (ev): -29.7037 -29.7037 -11.0373 -11.0373 -10.6875 -10.6875 -10.6282 -10.6282 -1.3244 -1.3244 0.4950 0.4950 4.4350 4.4350 5.9014 5.9014 6.3499 6.3499 6.4203 6.4203 6.8024 6.8024 7.3850 7.3850 7.4325 7.4325 7.6319 7.6319 7.7534 7.7534 7.8601 7.8601 7.8870 7.8870 9.2013 9.2013 9.3292 9.3292 9.4150 9.4150 11.7273 11.7273 12.9331 12.9331 13.2361 13.2361 13.3185 13.3185 13.7303 13.7303 k =-0.2871 0.4869 0.5652 ( 2760 PWs) bands (ev): -29.7036 -29.7036 -11.0379 -11.0379 -10.6883 -10.6883 -10.6279 -10.6279 -1.3307 -1.3307 0.5412 0.5412 4.3984 4.3984 5.8899 5.8899 6.3479 6.3479 6.4072 6.4072 6.8147 6.8147 7.3893 7.3893 7.4466 7.4466 7.6324 7.6324 7.7433 7.7433 7.8404 7.8404 7.8759 7.8759 9.1805 9.1805 9.3177 9.3177 9.3717 9.3717 11.6619 11.6619 13.0047 13.0047 13.2700 13.2700 13.2981 13.2981 13.7856 13.7856 k =-0.2807 0.4760 0.5526 ( 2760 PWs) bands (ev): -29.7036 -29.7036 -11.0384 -11.0384 -10.6890 -10.6890 -10.6277 -10.6277 -1.3391 -1.3391 0.5874 0.5874 4.3655 4.3655 5.8770 5.8770 6.3469 6.3469 6.3950 6.3950 6.8274 6.8274 7.3905 7.3905 7.4618 7.4618 7.6342 7.6342 7.7350 7.7350 7.8205 7.8205 7.8673 7.8673 9.1595 9.1595 9.2659 9.2659 9.3725 9.3725 11.5942 11.5942 13.0761 13.0761 13.2757 13.2757 13.3062 13.3062 13.8474 13.8474 k =-0.2743 0.4652 0.5401 ( 2772 PWs) bands (ev): -29.7035 -29.7035 -11.0389 -11.0389 -10.6896 -10.6896 -10.6275 -10.6275 -1.3497 -1.3497 0.6337 0.6337 4.3364 4.3364 5.8626 5.8626 6.3467 6.3467 6.3843 6.3843 6.8403 6.8403 7.3892 7.3892 7.4768 7.4768 7.6371 7.6371 7.7284 7.7284 7.8013 7.8013 7.8605 7.8605 9.1380 9.1380 9.2064 9.2064 9.3848 9.3848 11.5245 11.5245 13.1466 13.1466 13.2534 13.2534 13.3439 13.3439 13.9137 13.9137 k =-0.2679 0.4544 0.5275 ( 2772 PWs) bands (ev): -29.7035 -29.7035 -11.0392 -11.0392 -10.6900 -10.6900 -10.6273 -10.6273 -1.3624 -1.3624 0.6798 0.6798 4.3111 4.3111 5.8470 5.8470 6.3463 6.3463 6.3760 6.3760 6.8537 6.8537 7.3860 7.3860 7.4912 7.4912 7.6407 7.6407 7.7237 7.7237 7.7841 7.7841 7.8555 7.8555 9.1120 9.1120 9.1528 9.1528 9.3997 9.3997 11.4530 11.4530 13.2145 13.2145 13.2326 13.2326 13.3838 13.3838 13.9836 13.9836 k =-0.2616 0.4436 0.5150 ( 2772 PWs) bands (ev): -29.7035 -29.7035 -11.0394 -11.0394 -10.6903 -10.6903 -10.6271 -10.6271 -1.3774 -1.3774 0.7256 0.7256 4.2894 4.2894 5.8302 5.8302 6.3438 6.3438 6.3723 6.3723 6.8674 6.8674 7.3811 7.3811 7.5042 7.5042 7.6440 7.6440 7.7211 7.7211 7.7700 7.7700 7.8520 7.8520 9.0686 9.0686 9.1192 9.1192 9.4158 9.4158 11.3802 11.3802 13.2119 13.2119 13.2799 13.2799 13.4265 13.4265 14.0563 14.0563 k =-0.2552 0.4328 0.5024 ( 2768 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6903 -10.6903 -10.6270 -10.6270 -1.3945 -1.3945 0.7710 0.7710 4.2712 4.2712 5.8125 5.8125 6.3382 6.3382 6.3744 6.3744 6.8815 6.8815 7.3748 7.3748 7.5153 7.5153 7.6458 7.6458 7.7215 7.7215 7.7602 7.7602 7.8500 7.8500 9.0138 9.0138 9.0998 9.0998 9.4327 9.4327 11.3061 11.3061 13.1940 13.1940 13.3374 13.3374 13.4738 13.4738 14.1314 14.1314 k =-0.2488 0.4219 0.4898 ( 2768 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6903 -10.6903 -10.6269 -10.6269 -1.4136 -1.4136 0.8159 0.8159 4.2562 4.2562 5.7941 5.7941 6.3308 6.3308 6.3809 6.3809 6.8959 6.8959 7.3674 7.3674 7.5236 7.5236 7.6447 7.6447 7.7257 7.7257 7.7551 7.7551 7.8494 7.8494 8.9577 8.9577 9.0850 9.0850 9.4504 9.4504 11.2312 11.2312 13.1781 13.1781 13.3853 13.3853 13.5273 13.5273 14.2085 14.2085 k =-0.2424 0.4111 0.4773 ( 2764 PWs) bands (ev): -29.7035 -29.7035 -11.0392 -11.0392 -10.6901 -10.6901 -10.6268 -10.6268 -1.4348 -1.4348 0.8600 0.8600 4.2443 4.2443 5.7754 5.7754 6.3231 6.3231 6.3906 6.3906 6.9106 6.9106 7.3593 7.3593 7.5283 7.5283 7.6417 7.6417 7.7345 7.7345 7.7544 7.7544 7.8502 7.8502 8.9023 8.9023 9.0727 9.0727 9.4688 9.4688 11.1556 11.1556 13.1645 13.1645 13.4220 13.4220 13.5871 13.5871 14.2875 14.2875 k =-0.2360 0.4003 0.4647 ( 2762 PWs) bands (ev): -29.7035 -29.7035 -11.0389 -11.0389 -10.6897 -10.6897 -10.6267 -10.6267 -1.4578 -1.4578 0.9034 0.9034 4.2351 4.2351 5.7568 5.7568 6.3155 6.3155 6.4031 6.4031 6.9256 6.9256 7.3507 7.3507 7.5280 7.5280 7.6389 7.6389 7.7473 7.7473 7.7571 7.7571 7.8524 7.8524 8.8482 8.8482 9.0624 9.0624 9.4879 9.4879 11.0795 11.0795 13.1530 13.1530 13.4481 13.4481 13.6511 13.6511 14.3679 14.3679 k =-0.2297 0.3895 0.4522 ( 2758 PWs) bands (ev): -29.7035 -29.7035 -11.0385 -11.0385 -10.6892 -10.6892 -10.6267 -10.6267 -1.4827 -1.4827 0.9458 0.9458 4.2282 4.2282 5.7388 5.7388 6.3084 6.3084 6.4182 6.4182 6.9409 6.9409 7.3418 7.3418 7.5221 7.5221 7.6386 7.6386 7.7620 7.7620 7.7636 7.7636 7.8558 7.8558 8.7955 8.7955 9.0540 9.0540 9.5077 9.5077 11.0031 11.0031 13.1439 13.1439 13.4646 13.4646 13.7175 13.7175 14.4497 14.4497 k =-0.2233 0.3787 0.4396 ( 2766 PWs) bands (ev): -29.7036 -29.7036 -11.0381 -11.0381 -10.6886 -10.6886 -10.6268 -10.6268 -1.5093 -1.5093 0.9872 0.9872 4.2232 4.2232 5.7217 5.7217 6.3018 6.3018 6.4358 6.4358 6.9564 6.9564 7.3328 7.3328 7.5112 7.5112 7.6415 7.6415 7.7701 7.7701 7.7808 7.7808 7.8602 7.8602 8.7443 8.7443 9.0475 9.0475 9.5282 9.5282 10.9265 10.9265 13.1371 13.1371 13.4716 13.4716 13.7847 13.7847 14.5326 14.5326 k =-0.2169 0.3679 0.4270 ( 2762 PWs) bands (ev): -29.7036 -29.7036 -11.0375 -11.0375 -10.6878 -10.6878 -10.6268 -10.6268 -1.5373 -1.5373 1.0274 1.0274 4.2197 4.2197 5.7061 5.7061 6.2958 6.2958 6.4561 6.4561 6.9722 6.9722 7.3241 7.3241 7.4967 7.4967 7.6471 7.6471 7.7795 7.7795 7.8000 7.8000 7.8658 7.8658 8.6948 8.6948 9.0428 9.0428 9.5496 9.5496 10.8501 10.8501 13.1325 13.1325 13.4692 13.4692 13.8518 13.8518 14.6164 14.6164 k =-0.2105 0.3570 0.4145 ( 2772 PWs) bands (ev): -29.7037 -29.7037 -11.0368 -11.0368 -10.6869 -10.6869 -10.6269 -10.6269 -1.5668 -1.5668 1.0663 1.0663 4.2172 4.2172 5.6925 5.6925 6.2904 6.2904 6.4790 6.4790 6.9882 6.9882 7.3156 7.3156 7.4797 7.4797 7.6544 7.6544 7.7902 7.7902 7.8201 7.8201 7.8724 7.8724 8.6468 8.6468 9.0400 9.0400 9.5717 9.5717 10.7737 10.7737 13.1302 13.1302 13.4573 13.4573 13.9183 13.9183 14.7007 14.7007 k =-0.2041 0.3462 0.4019 ( 2772 PWs) bands (ev): -29.7038 -29.7038 -11.0361 -11.0361 -10.6858 -10.6858 -10.6270 -10.6270 -1.5976 -1.5976 1.1039 1.1039 4.2152 4.2152 5.6814 5.6814 6.2857 6.2857 6.5044 6.5044 7.0044 7.0044 7.3077 7.3077 7.4613 7.4613 7.6631 7.6631 7.8022 7.8022 7.8408 7.8408 7.8802 7.8802 8.6006 8.6006 9.0392 9.0392 9.5945 9.5945 10.6977 10.6977 13.1302 13.1302 13.4362 13.4362 13.9839 13.9839 14.7853 14.7853 k =-0.1978 0.3354 0.3894 ( 2772 PWs) bands (ev): -29.7039 -29.7039 -11.0352 -11.0352 -10.6846 -10.6846 -10.6272 -10.6272 -1.6294 -1.6294 1.1399 1.1399 4.2133 4.2133 5.6731 5.6731 6.2815 6.2815 6.5324 6.5324 7.0208 7.0208 7.3004 7.3004 7.4423 7.4423 7.6725 7.6725 7.8153 7.8153 7.8614 7.8614 7.8895 7.8895 8.5561 8.5561 9.0403 9.0403 9.6181 9.6181 10.6222 10.6222 13.1323 13.1323 13.4063 13.4063 14.0482 14.0482 14.8697 14.8697 k =-0.1914 0.3246 0.3768 ( 2772 PWs) bands (ev): -29.7040 -29.7040 -11.0342 -11.0342 -10.6832 -10.6832 -10.6273 -10.6273 -1.6621 -1.6621 1.1744 1.1744 4.2109 4.2109 5.6682 5.6682 6.2780 6.2780 6.5629 6.5629 7.0373 7.0373 7.2937 7.2937 7.4230 7.4230 7.6825 7.6825 7.8293 7.8293 7.8806 7.8806 7.9014 7.9014 8.5135 8.5135 9.0436 9.0436 9.6425 9.6425 10.5471 10.5471 13.1365 13.1365 13.3680 13.3680 14.1110 14.1110 14.9535 14.9535 k =-0.1850 0.3138 0.3642 ( 2768 PWs) bands (ev): -29.7041 -29.7041 -11.0332 -11.0332 -10.6817 -10.6817 -10.6275 -10.6275 -1.6955 -1.6955 1.2074 1.2074 4.2076 4.2076 5.6669 5.6669 6.2751 6.2751 6.5956 6.5956 7.0539 7.0539 7.2878 7.2878 7.4041 7.4041 7.6929 7.6929 7.8439 7.8439 7.8959 7.8959 7.9180 7.9180 8.4729 8.4729 9.0490 9.0490 9.6676 9.6676 10.4727 10.4727 13.1428 13.1428 13.3223 13.3223 14.1722 14.1722 15.0359 15.0359 k =-0.1786 0.3029 0.3517 ( 2768 PWs) bands (ev): -29.7043 -29.7043 -11.0321 -11.0321 -10.6801 -10.6801 -10.6277 -10.6277 -1.7295 -1.7295 1.2386 1.2386 4.2032 4.2032 5.6696 5.6696 6.2727 6.2727 6.6305 6.6305 7.0703 7.0703 7.2826 7.2826 7.3858 7.3858 7.7036 7.7036 7.8589 7.8589 7.9081 7.9081 7.9386 7.9386 8.4345 8.4345 9.0567 9.0567 9.6934 9.6934 10.3989 10.3989 13.1511 13.1511 13.2700 13.2700 14.2313 14.2313 15.1159 15.1160 k =-0.1722 0.2921 0.3391 ( 2768 PWs) bands (ev): -29.7044 -29.7044 -11.0310 -11.0310 -10.6784 -10.6784 -10.6279 -10.6279 -1.7639 -1.7639 1.2682 1.2682 4.1973 4.1973 5.6763 5.6763 6.2709 6.2709 6.6672 6.6672 7.0867 7.0867 7.2779 7.2779 7.3686 7.3686 7.7144 7.7144 7.8742 7.8742 7.9192 7.9192 7.9608 7.9608 8.3984 8.3984 9.0668 9.0668 9.7199 9.7199 10.3260 10.3260 13.1613 13.1613 13.2121 13.2121 14.2883 14.2883 15.1921 15.1922 k =-0.1659 0.2813 0.3266 ( 2768 PWs) bands (ev): -29.7046 -29.7046 -11.0298 -11.0298 -10.6766 -10.6766 -10.6282 -10.6282 -1.7986 -1.7986 1.2960 1.2960 4.1897 4.1897 5.6871 5.6871 6.2696 6.2696 6.7054 6.7054 7.1029 7.1029 7.2735 7.2735 7.3533 7.3533 7.7252 7.7252 7.8897 7.8897 7.9301 7.9301 7.9839 7.9839 8.3649 8.3649 9.0795 9.0795 9.7471 9.7471 10.2539 10.2539 13.1494 13.1494 13.1734 13.1734 14.3428 14.3428 15.2627 15.2629 k =-0.1595 0.2705 0.3140 ( 2768 PWs) bands (ev): -29.7047 -29.7047 -11.0286 -11.0286 -10.6747 -10.6747 -10.6284 -10.6284 -1.8333 -1.8333 1.3221 1.3221 4.1804 4.1804 5.7019 5.7019 6.2688 6.2688 6.7446 6.7446 7.1185 7.1185 7.2688 7.2688 7.3408 7.3408 7.7359 7.7359 7.9052 7.9052 7.9408 7.9408 8.0073 8.0073 8.3344 8.3344 9.0949 9.0949 9.7748 9.7748 10.1828 10.1828 13.0829 13.0829 13.1871 13.1871 14.3943 14.3943 15.3281 15.3287 k =-0.1531 0.2597 0.3014 ( 2776 PWs) bands (ev): -29.7049 -29.7049 -11.0274 -11.0274 -10.6728 -10.6728 -10.6287 -10.6287 -1.8679 -1.8679 1.3465 1.3465 4.1693 4.1693 5.7206 5.7206 6.2684 6.2684 6.7842 6.7842 7.1333 7.1333 7.2632 7.2632 7.3325 7.3325 7.7464 7.7464 7.9208 7.9208 7.9512 7.9512 8.0309 8.0309 8.3072 8.3072 9.1131 9.1131 9.8030 9.8030 10.1127 10.1127 13.0132 13.0132 13.2024 13.2024 14.4425 14.4425 15.3863 15.3864 k =-0.1467 0.2488 0.2889 ( 2772 PWs) bands (ev): -29.7050 -29.7050 -11.0261 -11.0261 -10.6707 -10.6707 -10.6289 -10.6289 -1.9023 -1.9023 1.3691 1.3691 4.1565 4.1565 5.7428 5.7428 6.2685 6.2685 6.8236 6.8236 7.1468 7.1468 7.2566 7.2566 7.3293 7.3293 7.7566 7.7566 7.9365 7.9365 7.9612 7.9612 8.0547 8.0547 8.2841 8.2841 9.1344 9.1344 9.8315 9.8315 10.0438 10.0438 12.9411 12.9411 13.2194 13.2194 14.4869 14.4869 15.4306 15.4306 k =-0.1404 0.2380 0.2763 ( 2774 PWs) bands (ev): -29.7052 -29.7052 -11.0249 -11.0249 -10.6686 -10.6686 -10.6291 -10.6291 -1.9363 -1.9363 1.3901 1.3901 4.1422 4.1422 5.7682 5.7682 6.2690 6.2690 6.8619 6.8619 7.1576 7.1576 7.2502 7.2502 7.3313 7.3313 7.7662 7.7662 7.9522 7.9522 7.9705 7.9705 8.0787 8.0787 8.2657 8.2657 9.1589 9.1589 9.8597 9.8597 9.9767 9.9767 12.8672 12.8672 13.2377 13.2377 14.5265 14.5265 15.4518 15.4518 k =-0.1340 0.2272 0.2638 ( 2776 PWs) bands (ev): -29.7054 -29.7054 -11.0237 -11.0237 -10.6665 -10.6665 -10.6293 -10.6293 -1.9698 -1.9698 1.4094 1.4094 4.1265 4.1265 5.7964 5.7964 6.2699 6.2699 6.8983 6.8983 7.1641 7.1641 7.2465 7.2465 7.3380 7.3380 7.7751 7.7751 7.9669 7.9669 7.9795 7.9795 8.1027 8.1027 8.2527 8.2527 9.1867 9.1867 9.8810 9.8810 9.9179 9.9179 12.7917 12.7917 13.2573 13.2573 14.5605 14.5605 15.4446 15.4446 k =-0.1276 0.2164 0.2512 ( 2772 PWs) bands (ev): -29.7056 -29.7056 -11.0224 -11.0224 -10.6644 -10.6644 -10.6295 -10.6295 -2.0026 -2.0026 1.4272 1.4272 4.1097 4.1097 5.8270 5.8270 6.2712 6.2712 6.9321 6.9321 7.1647 7.1647 7.2478 7.2478 7.3487 7.3487 7.7833 7.7833 7.9771 7.9771 7.9915 7.9915 8.1269 8.1269 8.2460 8.2460 9.2181 9.2181 9.8377 9.8377 9.9252 9.9252 12.7152 12.7152 13.2781 13.2781 14.5873 14.5873 15.4058 15.4058 k =-0.1212 0.2056 0.2386 ( 2768 PWs) bands (ev): -29.7057 -29.7057 -11.0212 -11.0212 -10.6622 -10.6622 -10.6296 -10.6296 -2.0346 -2.0346 1.4434 1.4434 4.0920 4.0920 5.8594 5.8594 6.2728 6.2728 6.9625 6.9625 7.1597 7.1597 7.2544 7.2544 7.3628 7.3628 7.7908 7.7908 7.9818 7.9818 8.0076 8.0076 8.1513 8.1513 8.2460 8.2460 9.2531 9.2531 9.7747 9.7747 9.9535 9.9535 12.6380 12.6380 13.2999 13.2999 14.6048 14.6048 15.3374 15.3374 k =-0.1148 0.1947 0.2261 ( 2764 PWs) bands (ev): -29.7059 -29.7059 -11.0200 -11.0200 -10.6601 -10.6601 -10.6297 -10.6297 -2.0657 -2.0657 1.4581 1.4581 4.0737 4.0737 5.8932 5.8932 6.2747 6.2747 6.9891 6.9891 7.1514 7.1514 7.2644 7.2644 7.3792 7.3792 7.7975 7.7975 7.9834 7.9834 8.0254 8.0254 8.1759 8.1759 8.2529 8.2529 9.2919 9.2919 9.7118 9.7118 9.9830 9.9830 12.5602 12.5602 13.3226 13.3226 14.6099 14.6099 15.2453 15.2453 k =-0.1085 0.1839 0.2135 ( 2766 PWs) bands (ev): -29.7061 -29.7061 -11.0188 -11.0188 -10.6580 -10.6580 -10.6297 -10.6297 -2.0957 -2.0957 1.4715 1.4715 4.0549 4.0549 5.9278 5.9278 6.2768 6.2768 7.0114 7.0114 7.1416 7.1416 7.2762 7.2762 7.3970 7.3970 7.8036 7.8036 7.9831 7.9831 8.0436 8.0436 8.2007 8.2007 8.2668 8.2668 9.3344 9.3344 9.6501 9.6501 10.0127 10.0127 12.4819 12.4819 13.3460 13.3460 14.5989 14.5989 15.1367 15.1367 k =-0.1021 0.1731 0.2010 ( 2766 PWs) bands (ev): -29.7062 -29.7062 -11.0177 -11.0177 -10.6560 -10.6560 -10.6297 -10.6297 -2.1246 -2.1246 1.4835 1.4835 4.0361 4.0361 5.9629 5.9629 6.2791 6.2791 7.0292 7.0292 7.1322 7.1322 7.2888 7.2888 7.4147 7.4147 7.8095 7.8095 7.9819 7.9819 8.0620 8.0620 8.2262 8.2262 8.2873 8.2873 9.3802 9.3802 9.5902 9.5902 10.0422 10.0422 12.4032 12.4032 13.3698 13.3698 14.5684 14.5684 15.0174 15.0174 k =-0.0957 0.1623 0.1884 ( 2764 PWs) bands (ev): -29.7064 -29.7064 -11.0167 -11.0167 -10.6542 -10.6542 -10.6296 -10.6296 -2.1522 -2.1522 1.4942 1.4942 4.0173 4.0173 5.9978 5.9978 6.2817 6.2817 7.0422 7.0422 7.1245 7.1245 7.3014 7.3014 7.4313 7.4313 7.8154 7.8154 7.9803 7.9803 8.0801 8.0801 8.2521 8.2521 8.3142 8.3142 9.4271 9.4271 9.5344 9.5344 10.0713 10.0713 12.3242 12.3242 13.3940 13.3940 14.5172 14.5172 14.8915 14.8915 k =-0.0893 0.1515 0.1758 ( 2757 PWs) bands (ev): -29.7065 -29.7065 -11.0156 -11.0156 -10.6524 -10.6524 -10.6293 -10.6293 -2.1785 -2.1785 1.5038 1.5038 3.9989 3.9989 6.0321 6.0321 6.2844 6.2844 7.0496 7.0496 7.1201 7.1201 7.3139 7.3139 7.4457 7.4457 7.8218 7.8218 7.9787 7.9787 8.0975 8.0975 8.2785 8.2785 8.3471 8.3471 9.4485 9.4485 9.5096 9.5096 10.0999 10.0999 12.2448 12.2448 13.4184 13.4184 14.4482 14.4482 14.7624 14.7624 k =-0.0829 0.1406 0.1633 ( 2753 PWs) bands (ev): -29.7067 -29.7067 -11.0147 -11.0147 -10.6508 -10.6508 -10.6290 -10.6290 -2.2034 -2.2034 1.5124 1.5124 3.9809 3.9809 6.0656 6.0656 6.2872 6.2872 7.0510 7.0510 7.1201 7.1201 7.3258 7.3258 7.4570 7.4570 7.8288 7.8288 7.9772 7.9772 8.1139 8.1139 8.3053 8.3053 8.3857 8.3857 9.4047 9.4047 9.5551 9.5551 10.1277 10.1277 12.1650 12.1650 13.4426 13.4426 14.3665 14.3665 14.6325 14.6325 k =-0.0766 0.1298 0.1507 ( 2761 PWs) bands (ev): -29.7068 -29.7068 -11.0138 -11.0138 -10.6495 -10.6495 -10.6286 -10.6286 -2.2268 -2.2268 1.5199 1.5199 3.9636 3.9636 6.0977 6.0977 6.2901 6.2901 7.0476 7.0476 7.1238 7.1238 7.3369 7.3369 7.4651 7.4651 7.8364 7.8364 7.9759 7.9759 8.1290 8.1290 8.3324 8.3324 8.4289 8.4289 9.3511 9.3511 9.6155 9.6155 10.1545 10.1545 12.0847 12.0847 13.4664 13.4664 14.2777 14.2777 14.5037 14.5037 k =-0.0702 0.1190 0.1382 ( 2755 PWs) bands (ev): -29.7070 -29.7070 -11.0130 -11.0130 -10.6483 -10.6483 -10.6280 -10.6280 -2.2485 -2.2485 1.5265 1.5265 3.9472 3.9472 6.1282 6.1282 6.2931 6.2931 7.0415 7.0415 7.1298 7.1298 7.3471 7.3471 7.4701 7.4701 7.8447 7.8447 7.9749 7.9749 8.1429 8.1429 8.3601 8.3601 8.4760 8.4760 9.2975 9.2975 9.6809 9.6809 10.1803 10.1803 12.0040 12.0040 13.4897 13.4897 14.1864 14.1864 14.3779 14.3779 k =-0.0638 0.1082 0.1256 ( 2763 PWs) bands (ev): -29.7071 -29.7071 -11.0122 -11.0122 -10.6473 -10.6473 -10.6274 -10.6274 -2.2686 -2.2686 1.5323 1.5323 3.9318 3.9318 6.1566 6.1566 6.2962 6.2962 7.0341 7.0341 7.1367 7.1367 7.3561 7.3561 7.4724 7.4724 7.8534 7.8534 7.9739 7.9739 8.1555 8.1555 8.3881 8.3881 8.5256 8.5256 9.2448 9.2448 9.7498 9.7498 10.2047 10.2047 11.9229 11.9229 13.5121 13.5121 14.0961 14.0961 14.2566 14.2566 k =-0.0574 0.0974 0.1130 ( 2775 PWs) bands (ev): -29.7072 -29.7072 -11.0116 -11.0116 -10.6466 -10.6466 -10.6267 -10.6267 -2.2870 -2.2870 1.5372 1.5372 3.9174 3.9174 6.1828 6.1828 6.2994 6.2994 7.0263 7.0263 7.1438 7.1438 7.3638 7.3638 7.4725 7.4725 7.8620 7.8620 7.9730 7.9730 8.1668 8.1668 8.4168 8.4168 8.5763 8.5763 9.1936 9.1936 9.8214 9.8214 10.2276 10.2276 11.8415 11.8415 13.5333 13.5333 14.0094 14.0094 14.1412 14.1412 k =-0.0510 0.0866 0.1005 ( 2759 PWs) bands (ev): -29.7073 -29.7073 -11.0109 -11.0109 -10.6459 -10.6459 -10.6259 -10.6259 -2.3035 -2.3035 1.5415 1.5415 3.9044 3.9044 6.2065 6.2065 6.3028 6.3028 7.0190 7.0190 7.1509 7.1509 7.3702 7.3702 7.4716 7.4716 7.8707 7.8707 7.9722 7.9722 8.1769 8.1769 8.4461 8.4461 8.6271 8.6271 9.1439 9.1439 9.8950 9.8950 10.2488 10.2488 11.7603 11.7603 13.5530 13.5530 13.9282 13.9282 14.0334 14.0334 k =-0.0447 0.0757 0.0879 ( 2759 PWs) bands (ev): -29.7074 -29.7074 -11.0103 -11.0103 -10.6454 -10.6454 -10.6251 -10.6251 -2.3183 -2.3183 1.5451 1.5451 3.8926 3.8926 6.2272 6.2272 6.3063 6.3063 7.0120 7.0120 7.1578 7.1578 7.3749 7.3749 7.4699 7.4699 7.8789 7.8789 7.9714 7.9714 8.1857 8.1857 8.4758 8.4758 8.6761 8.6761 9.0960 9.0960 9.9695 9.9695 10.2680 10.2680 11.6798 11.6798 13.5708 13.5708 13.8541 13.8541 13.9345 13.9345 k =-0.0383 0.0649 0.0754 ( 2763 PWs) bands (ev): -29.7075 -29.7075 -11.0099 -11.0099 -10.6450 -10.6450 -10.6244 -10.6244 -2.3312 -2.3312 1.5481 1.5481 3.8822 3.8822 6.2447 6.2447 6.3101 6.3101 7.0058 7.0058 7.1642 7.1642 7.3781 7.3781 7.4683 7.4683 7.8865 7.8865 7.9705 7.9705 8.1932 8.1932 8.5057 8.5057 8.7220 8.7220 9.0501 9.0501 10.0435 10.0435 10.2851 10.2851 11.6011 11.6011 13.5861 13.5861 13.7880 13.7880 13.8462 13.8462 k =-0.0319 0.0541 0.0628 ( 2763 PWs) bands (ev): -29.7076 -29.7076 -11.0095 -11.0095 -10.6447 -10.6447 -10.6237 -10.6237 -2.3421 -2.3421 1.5506 1.5506 3.8733 3.8733 6.2588 6.2588 6.3143 6.3143 7.0004 7.0004 7.1701 7.1701 7.3798 7.3798 7.4669 7.4669 7.8933 7.8933 7.9695 7.9695 8.1995 8.1995 8.5357 8.5357 8.7636 8.7636 9.0067 9.0067 10.1154 10.1154 10.3000 10.3000 11.5255 11.5255 13.5981 13.5981 13.7309 13.7309 13.7703 13.7703 k =-0.0255 0.0433 0.0502 ( 2769 PWs) bands (ev): -29.7076 -29.7076 -11.0091 -11.0091 -10.6445 -10.6445 -10.6231 -10.6231 -2.3511 -2.3511 1.5526 1.5526 3.8660 3.8660 6.2695 6.2695 6.3187 6.3187 6.9958 6.9958 7.1752 7.1752 7.3802 7.3802 7.4660 7.4660 7.8991 7.8991 7.9685 7.9685 8.2047 8.2047 8.5650 8.5650 8.7994 8.7994 8.9664 8.9664 10.1827 10.1827 10.3126 10.3126 11.4554 11.4554 13.6045 13.6045 13.6835 13.6835 13.7102 13.7102 k =-0.0191 0.0325 0.0377 ( 2769 PWs) bands (ev): -29.7077 -29.7077 -11.0089 -11.0089 -10.6444 -10.6444 -10.6226 -10.6226 -2.3582 -2.3582 1.5541 1.5541 3.8602 3.8602 6.2770 6.2770 6.3231 6.3231 6.9923 6.9923 7.1795 7.1795 7.3799 7.3799 7.4655 7.4655 7.9039 7.9039 7.9676 7.9676 8.2087 8.2087 8.5927 8.5927 8.8282 8.8282 8.9305 8.9305 10.2419 10.2419 10.3228 10.3228 11.3937 11.3937 13.5996 13.5996 13.6461 13.6461 13.6723 13.6723 k =-0.0128 0.0216 0.0251 ( 2773 PWs) bands (ev): -29.7077 -29.7077 -11.0087 -11.0087 -10.6443 -10.6443 -10.6223 -10.6223 -2.3632 -2.3632 1.5551 1.5551 3.8561 3.8561 6.2819 6.2819 6.3268 6.3268 6.9898 6.9898 7.1826 7.1826 7.3793 7.3793 7.4654 7.4654 7.9075 7.9075 7.9668 7.9668 8.2116 8.2116 8.6167 8.6167 8.8485 8.8485 8.9016 8.9016 10.2884 10.2884 10.3313 10.3313 11.3444 11.3444 13.5820 13.5820 13.6192 13.6193 13.6589 13.6589 k =-0.0064 0.0108 0.0126 ( 2767 PWs) bands (ev): -29.7077 -29.7077 -11.0086 -11.0086 -10.6442 -10.6442 -10.6220 -10.6220 -2.3662 -2.3662 1.5557 1.5557 3.8536 3.8536 6.2846 6.2846 6.3293 6.3293 6.9882 6.9882 7.1846 7.1846 7.3787 7.3787 7.4654 7.4654 7.9096 7.9096 7.9663 7.9663 8.2133 8.2133 8.6340 8.6340 8.8574 8.8574 8.8849 8.8849 10.3159 10.3159 10.3396 10.3396 11.3122 11.3122 13.5654 13.5654 13.6030 13.6030 13.6565 13.6565 k = 0.0000 0.0000 0.0000 ( 2759 PWs) bands (ev): -29.7077 -29.7077 -11.0085 -11.0085 -10.6442 -10.6442 -10.6219 -10.6219 -2.3673 -2.3673 1.5559 1.5559 3.8528 3.8528 6.2855 6.2855 6.3303 6.3303 6.9877 6.9877 7.1854 7.1854 7.3785 7.3785 7.4654 7.4654 7.9104 7.9104 7.9661 7.9661 8.2139 8.2139 8.6406 8.6406 8.8574 8.8574 8.8817 8.8817 10.3232 10.3232 10.3448 10.3448 11.3009 11.3009 13.5592 13.5592 13.5976 13.5976 13.6564 13.6564 k = 0.0000 0.0000 0.0000 ( 2759 PWs) bands (ev): -29.7077 -29.7077 -11.0085 -11.0085 -10.6442 -10.6442 -10.6219 -10.6219 -2.3673 -2.3673 1.5559 1.5559 3.8528 3.8528 6.2855 6.2855 6.3303 6.3303 6.9877 6.9877 7.1854 7.1854 7.3785 7.3785 7.4654 7.4654 7.9104 7.9104 7.9661 7.9661 8.2139 8.2139 8.6406 8.6406 8.8574 8.8574 8.8817 8.8817 10.3232 10.3232 10.3448 10.3448 11.3009 11.3009 13.5592 13.5592 13.5976 13.5976 13.6564 13.6564 k = 0.0152 0.0089-0.0000 ( 2767 PWs) bands (ev): -29.7077 -29.7077 -11.0085 -11.0085 -10.6442 -10.6442 -10.6220 -10.6220 -2.3661 -2.3661 1.5498 1.5498 3.8591 3.8591 6.2858 6.2858 6.3305 6.3305 6.9877 6.9877 7.1847 7.1847 7.3779 7.3779 7.4644 7.4644 7.9117 7.9117 7.9654 7.9654 8.2139 8.2139 8.6405 8.6405 8.8557 8.8557 8.8803 8.8803 10.3275 10.3275 10.3491 10.3491 11.3007 11.3007 13.5410 13.5410 13.5627 13.5627 13.7142 13.7142 k = 0.0303 0.0179-0.0000 ( 2775 PWs) bands (ev): -29.7078 -29.7078 -11.0086 -11.0086 -10.6443 -10.6443 -10.6220 -10.6220 -2.3626 -2.3626 1.5318 1.5318 3.8777 3.8777 6.2867 6.2867 6.3315 6.3315 6.9878 6.9878 7.1830 7.1830 7.3759 7.3759 7.4615 7.4615 7.9158 7.9158 7.9632 7.9632 8.2138 8.2138 8.6405 8.6405 8.8508 8.8508 8.8758 8.8758 10.3404 10.3404 10.3620 10.3620 11.3000 11.3000 13.4642 13.4642 13.5732 13.5732 13.7945 13.7945 k = 0.0455 0.0268-0.0000 ( 2775 PWs) bands (ev): -29.7077 -29.7077 -11.0087 -11.0087 -10.6444 -10.6444 -10.6220 -10.6220 -2.3569 -2.3569 1.5024 1.5024 3.9080 3.9080 6.2885 6.2885 6.3332 6.3332 6.9880 6.9880 7.1803 7.1803 7.3726 7.3726 7.4565 7.4565 7.9226 7.9226 7.9598 7.9598 8.2138 8.2138 8.6405 8.6405 8.8429 8.8429 8.8687 8.8687 10.3615 10.3615 10.3832 10.3832 11.2988 11.2988 13.3876 13.3876 13.5907 13.5907 13.8767 13.8767 k = 0.0606 0.0357-0.0000 ( 2787 PWs) bands (ev): -29.7078 -29.7078 -11.0088 -11.0088 -10.6446 -10.6446 -10.6220 -10.6220 -2.3489 -2.3489 1.4628 1.4628 3.9489 3.9489 6.2909 6.2909 6.3357 6.3357 6.9881 6.9881 7.1766 7.1766 7.3679 7.3679 7.4496 7.4496 7.9325 7.9325 7.9548 7.9548 8.2136 8.2136 8.6404 8.6404 8.8324 8.8324 8.8592 8.8592 10.3906 10.3906 10.4124 10.4124 11.2972 11.2972 13.3126 13.3126 13.6150 13.6150 13.9590 13.9590 k = 0.0758 0.0447-0.0000 ( 2779 PWs) bands (ev): -29.7077 -29.7077 -11.0089 -11.0089 -10.6448 -10.6448 -10.6220 -10.6220 -2.3386 -2.3386 1.4140 1.4140 3.9990 3.9990 6.2941 6.2941 6.3389 6.3389 6.9884 6.9884 7.1722 7.1722 7.3619 7.3619 7.4408 7.4408 7.9450 7.9450 7.9489 7.9489 8.2135 8.2135 8.6404 8.6404 8.8196 8.8196 8.8478 8.8478 10.4272 10.4272 10.4491 10.4491 11.2952 11.2952 13.2396 13.2396 13.6461 13.6461 14.0405 14.0405 k = 0.0909 0.0536-0.0000 ( 2779 PWs) bands (ev): -29.7077 -29.7077 -11.0090 -11.0090 -10.6450 -10.6450 -10.6220 -10.6220 -2.3260 -2.3260 1.3573 1.3573 4.0569 4.0569 6.2980 6.2980 6.3428 6.3428 6.9888 6.9888 7.1671 7.1671 7.3545 7.3545 7.4301 7.4301 7.9418 7.9418 7.9605 7.9605 8.2134 8.2134 8.6403 8.6403 8.8052 8.8052 8.8349 8.8349 10.4707 10.4707 10.4927 10.4927 11.2929 11.2929 13.1690 13.1690 13.6838 13.6838 14.1204 14.1204 k = 0.1061 0.0625-0.0000 ( 2779 PWs) bands (ev): -29.7077 -29.7077 -11.0091 -11.0091 -10.6453 -10.6453 -10.6220 -10.6220 -2.3112 -2.3112 1.2940 1.2940 4.1212 4.1212 6.3023 6.3023 6.3472 6.3472 6.9892 6.9892 7.1614 7.1614 7.3456 7.3456 7.4178 7.4178 7.9335 7.9335 7.9793 7.9793 8.2134 8.2134 8.6402 8.6402 8.7895 8.7895 8.8210 8.8210 10.5205 10.5205 10.5427 10.5427 11.2903 11.2903 13.1008 13.1008 13.7280 13.7280 14.1975 14.1975 k = 0.1212 0.0715-0.0000 ( 2787 PWs) bands (ev): -29.7077 -29.7077 -11.0093 -11.0093 -10.6456 -10.6456 -10.6221 -10.6221 -2.2943 -2.2943 1.2252 1.2252 4.1905 4.1905 6.3075 6.3075 6.3525 6.3525 6.9896 6.9896 7.1555 7.1555 7.3353 7.3353 7.4035 7.4035 7.9244 7.9244 8.0012 8.0012 8.2132 8.2132 8.6400 8.6400 8.7729 8.7729 8.8062 8.8062 10.5761 10.5761 10.5985 10.5985 11.2875 11.2875 13.0353 13.0353 13.7785 13.7785 14.2710 14.2710 k = 0.1364 0.0804-0.0000 ( 2779 PWs) bands (ev): -29.7077 -29.7077 -11.0095 -11.0095 -10.6459 -10.6459 -10.6220 -10.6220 -2.2752 -2.2752 1.1521 1.1521 4.2634 4.2634 6.3135 6.3135 6.3585 6.3585 6.9901 6.9901 7.1494 7.1494 7.3235 7.3235 7.3877 7.3877 7.9144 7.9144 8.0267 8.0267 8.2131 8.2131 8.6399 8.6399 8.7562 8.7562 8.7914 8.7914 10.6370 10.6370 10.6596 10.6596 11.2846 11.2846 12.9724 12.9724 13.8350 13.8350 14.3398 14.3398 k = 0.1515 0.0893-0.0000 ( 2779 PWs) bands (ev): -29.7077 -29.7077 -11.0097 -11.0097 -10.6463 -10.6463 -10.6220 -10.6220 -2.2539 -2.2539 1.0755 1.0755 4.3387 4.3387 6.3201 6.3201 6.3652 6.3652 6.9905 6.9905 7.1432 7.1432 7.3105 7.3105 7.3704 7.3704 7.9036 7.9036 8.0558 8.0558 8.2128 8.2128 8.6397 8.6397 8.7395 8.7395 8.7766 8.7766 10.7026 10.7026 10.7253 10.7253 11.2815 11.2815 12.9122 12.9122 13.8975 13.8975 14.4025 14.4025 k = 0.1667 0.0983-0.0000 ( 2779 PWs) bands (ev): -29.7077 -29.7077 -11.0099 -11.0099 -10.6466 -10.6466 -10.6221 -10.6221 -2.2306 -2.2306 0.9962 0.9962 4.4152 4.4152 6.3273 6.3273 6.3725 6.3725 6.9910 6.9910 7.1372 7.1372 7.2961 7.2961 7.3516 7.3516 7.8921 7.8921 8.0888 8.0888 8.2126 8.2126 8.6393 8.6393 8.7233 8.7233 8.7622 8.7622 10.7724 10.7724 10.7954 10.7954 11.2785 11.2785 12.8547 12.8547 13.9655 13.9655 14.4579 14.4579 k = 0.1818 0.1072-0.0000 ( 2780 PWs) bands (ev): -29.7077 -29.7077 -11.0101 -11.0101 -10.6471 -10.6471 -10.6221 -10.6221 -2.2054 -2.2054 0.9150 0.9150 4.4919 4.4919 6.3353 6.3353 6.3806 6.3806 6.9915 6.9915 7.1313 7.1313 7.2806 7.2806 7.3316 7.3316 7.8801 7.8801 8.1258 8.1258 8.2124 8.2124 8.6388 8.6388 8.7080 8.7080 8.7483 8.7483 10.8459 10.8459 10.8692 10.8692 11.2756 11.2756 12.8000 12.8000 14.0390 14.0390 14.4913 14.5042 k = 0.1970 0.1161-0.0000 ( 2780 PWs) bands (ev): -29.7077 -29.7077 -11.0104 -11.0104 -10.6475 -10.6475 -10.6221 -10.6221 -2.1782 -2.1782 0.8325 0.8325 4.5680 4.5680 6.3438 6.3438 6.3893 6.3893 6.9920 6.9920 7.1258 7.1258 7.2642 7.2642 7.3103 7.3103 7.8677 7.8677 8.1671 8.1671 8.2121 8.2121 8.6379 8.6379 8.6938 8.6938 8.7352 8.7352 10.9225 10.9225 10.9464 10.9464 11.2729 11.2729 12.7480 12.7480 14.1177 14.1177 14.4800 14.4800 k = 0.2121 0.1251-0.0000 ( 2780 PWs) bands (ev): -29.7077 -29.7077 -11.0106 -11.0106 -10.6479 -10.6479 -10.6221 -10.6221 -2.1491 -2.1491 0.7493 0.7493 4.6424 4.6424 6.3530 6.3530 6.3988 6.3988 6.9924 6.9924 7.1204 7.1204 7.2471 7.2471 7.2881 7.2881 7.8551 7.8551 8.2118 8.2118 8.2129 8.2129 8.6365 8.6365 8.6815 8.6815 8.7229 8.7229 11.0016 11.0016 11.0265 11.0265 11.2708 11.2708 12.6987 12.6987 14.2013 14.2013 14.4772 14.4772 k = 0.2273 0.1340-0.0000 ( 2752 PWs) bands (ev): -29.7076 -29.7076 -11.0107 -11.0107 -10.6482 -10.6482 -10.6220 -10.6220 -2.1183 -2.1183 0.6657 0.6657 4.7148 4.7148 6.3629 6.3629 6.4089 6.4089 6.9927 6.9927 7.1153 7.1153 7.2297 7.2297 7.2652 7.2652 7.8423 7.8423 8.2115 8.2115 8.2633 8.2633 8.6341 8.6341 8.6718 8.6718 8.7117 8.7117 11.0821 11.0821 11.1092 11.1092 11.2701 11.2701 12.6522 12.6522 14.2897 14.2897 14.4744 14.4744 k = 0.2424 0.1429-0.0000 ( 2744 PWs) bands (ev): -29.7076 -29.7076 -11.0110 -11.0110 -10.6487 -10.6487 -10.6220 -10.6220 -2.0858 -2.0858 0.5822 0.5822 4.7839 4.7839 6.3734 6.3734 6.4198 6.4198 6.9930 6.9930 7.1096 7.1096 7.2126 7.2126 7.2416 7.2416 7.8294 7.8294 8.2113 8.2113 8.3179 8.3179 8.6299 8.6299 8.6655 8.6655 8.7013 8.7013 11.1606 11.1606 11.1941 11.1941 11.2737 11.2737 12.6082 12.6082 14.3825 14.3825 14.4458 14.4458 k = 0.2576 0.1519-0.0000 ( 2740 PWs) bands (ev): -29.7076 -29.7076 -11.0112 -11.0112 -10.6491 -10.6491 -10.6220 -10.6220 -2.0517 -2.0517 0.4993 0.4993 4.8496 4.8496 6.3845 6.3845 6.4312 6.4312 6.9930 6.9930 7.1028 7.1028 7.1965 7.1965 7.2175 7.2175 7.8168 7.8168 8.2110 8.2110 8.3764 8.3764 8.6241 8.6241 8.6631 8.6631 8.6919 8.6919 11.2206 11.2206 11.2807 11.2807 11.2977 11.2977 12.5666 12.5666 14.2999 14.2999 14.4679 14.4679 k = 0.2727 0.1608-0.0000 ( 2740 PWs) bands (ev): -29.7076 -29.7076 -11.0115 -11.0115 -10.6495 -10.6495 -10.6220 -10.6220 -2.0163 -2.0163 0.4172 0.4172 4.9112 4.9112 6.3961 6.3961 6.4434 6.4434 6.9928 6.9928 7.0941 7.0941 7.1824 7.1824 7.1933 7.1933 7.8041 7.8041 8.2107 8.2107 8.4376 8.4376 8.6179 8.6179 8.6649 8.6649 8.6834 8.6834 11.2394 11.2394 11.3644 11.3644 11.3686 11.3686 12.5275 12.5275 14.1253 14.1253 14.4655 14.4655 k = 0.2879 0.1698-0.0000 ( 2728 PWs) bands (ev): -29.7076 -29.7076 -11.0117 -11.0117 -10.6499 -10.6499 -10.6220 -10.6220 -1.9796 -1.9796 0.3363 0.3363 4.9685 4.9685 6.4085 6.4085 6.4563 6.4563 6.9922 6.9922 7.0826 7.0826 7.1691 7.1691 7.1714 7.1714 7.7918 7.7918 8.2105 8.2105 8.4977 8.4977 8.6128 8.6128 8.6732 8.6732 8.6758 8.6758 11.2423 11.2423 11.4482 11.4482 11.4575 11.4575 12.4907 12.4907 13.9392 13.9392 14.4626 14.4626 k = 0.3030 0.1787-0.0000 ( 2728 PWs) bands (ev): -29.7076 -29.7076 -11.0119 -11.0119 -10.6503 -10.6503 -10.6221 -10.6221 -1.9419 -1.9419 0.2569 0.2569 5.0212 5.0212 6.4211 6.4211 6.4697 6.4697 6.9910 6.9910 7.0677 7.0677 7.1453 7.1453 7.1640 7.1640 7.7798 7.7798 8.2102 8.2102 8.5464 8.5464 8.6114 8.6114 8.6690 8.6690 8.6954 8.6954 11.2420 11.2420 11.5359 11.5359 11.5466 11.5466 12.4558 12.4558 13.7492 13.7492 14.4597 14.4597 k = 0.3182 0.1876-0.0000 ( 2728 PWs) bands (ev): -29.7076 -29.7076 -11.0121 -11.0121 -10.6507 -10.6507 -10.6221 -10.6221 -1.9034 -1.9034 0.1795 0.1795 5.0692 5.0692 6.4343 6.4343 6.4837 6.4837 6.9891 6.9891 7.0499 7.0499 7.1222 7.1222 7.1598 7.1598 7.7684 7.7684 8.2100 8.2100 8.5692 8.5692 8.6166 8.6166 8.6630 8.6630 8.7426 8.7426 11.2407 11.2407 11.6245 11.6245 11.6356 11.6356 12.4228 12.4228 13.5597 13.5597 14.4570 14.4570 k = 0.3333 0.1966-0.0000 ( 2736 PWs) bands (ev): -29.7076 -29.7076 -11.0124 -11.0124 -10.6512 -10.6512 -10.6221 -10.6221 -1.8643 -1.8643 0.1044 0.1044 5.1125 5.1125 6.4477 6.4477 6.4981 6.4981 6.9860 6.9860 7.0300 7.0300 7.1006 7.1006 7.1580 7.1580 7.7575 7.7575 8.2097 8.2097 8.5729 8.5729 8.6232 8.6232 8.6578 8.6578 8.8130 8.8130 11.2391 11.2391 11.7130 11.7130 11.7237 11.7237 12.3911 12.3911 13.3733 13.3733 14.4544 14.4544 k = 0.3485 0.2055-0.0000 ( 2736 PWs) bands (ev): -29.7076 -29.7076 -11.0126 -11.0126 -10.6515 -10.6515 -10.6221 -10.6221 -1.8251 -1.8251 0.0319 0.0319 5.1510 5.1510 6.4614 6.4614 6.5130 6.5130 6.9812 6.9812 7.0089 7.0089 7.0812 7.0812 7.1579 7.1579 7.7472 7.7472 8.2095 8.2095 8.5710 8.5710 8.6274 8.6274 8.6533 8.6533 8.8961 8.8961 11.2375 11.2375 11.8002 11.8002 11.8103 11.8103 12.3600 12.3600 13.1926 13.1926 14.4519 14.4519 k = 0.3636 0.2144-0.0000 ( 2744 PWs) bands (ev): -29.7076 -29.7076 -11.0128 -11.0128 -10.6519 -10.6519 -10.6222 -10.6222 -1.7860 -1.7860 -0.0373 -0.0373 5.1850 5.1850 6.4752 6.4752 6.5283 6.5283 6.9739 6.9739 6.9871 6.9871 7.0646 7.0646 7.1590 7.1590 7.7376 7.7376 8.2093 8.2093 8.5677 8.5677 8.6299 8.6299 8.6494 8.6494 8.9859 8.9859 11.2359 11.2359 11.8852 11.8852 11.8944 11.8944 12.3285 12.3285 13.0204 13.0204 14.4495 14.4495 k = 0.3788 0.2234-0.0000 ( 2748 PWs) bands (ev): -29.7076 -29.7076 -11.0130 -11.0130 -10.6523 -10.6523 -10.6222 -10.6222 -1.7477 -1.7477 -0.1027 -0.1027 5.2145 5.2145 6.4890 6.4890 6.5438 6.5438 6.9639 6.9639 6.9652 6.9652 7.0518 7.0518 7.1607 7.1607 7.7287 7.7287 8.2091 8.2091 8.5644 8.5644 8.6314 8.6314 8.6461 8.6461 9.0790 9.0790 11.2345 11.2345 11.9671 11.9671 11.9750 11.9750 12.2946 12.2946 12.8603 12.8603 14.4473 14.4473 k = 0.3939 0.2323-0.0000 ( 2756 PWs) bands (ev): -29.7076 -29.7076 -11.0132 -11.0132 -10.6526 -10.6526 -10.6222 -10.6222 -1.7106 -1.7106 -0.1638 -0.1638 5.2398 5.2398 6.5024 6.5024 6.5593 6.5593 6.9434 6.9434 6.9514 6.9514 7.0427 7.0427 7.1628 7.1628 7.7209 7.7209 8.2090 8.2090 8.5613 8.5613 8.6323 8.6323 8.6434 8.6434 9.1731 9.1731 11.2332 11.2332 12.0446 12.0446 12.0509 12.0509 12.2553 12.2553 12.7174 12.7174 14.4453 14.4453 k = 0.4091 0.2412-0.0000 ( 2764 PWs) bands (ev): -29.7076 -29.7076 -11.0134 -11.0134 -10.6529 -10.6529 -10.6223 -10.6223 -1.6756 -1.6756 -0.2198 -0.2198 5.2611 5.2611 6.5155 6.5155 6.5747 6.5747 6.9224 6.9224 6.9372 6.9372 7.0365 7.0365 7.1650 7.1650 7.7139 7.7139 8.2088 8.2088 8.5586 8.5586 8.6329 8.6329 8.6411 8.6411 9.2656 9.2656 11.2320 11.2320 12.1165 12.1165 12.1201 12.1201 12.2066 12.2066 12.5986 12.5986 14.4435 14.4435 k = 0.4242 0.2502-0.0000 ( 2764 PWs) bands (ev): -29.7076 -29.7076 -11.0135 -11.0135 -10.6531 -10.6531 -10.6223 -10.6223 -1.6434 -1.6434 -0.2697 -0.2697 5.2788 5.2788 6.5277 6.5277 6.5897 6.5897 6.9025 6.9025 6.9228 6.9228 7.0325 7.0325 7.1671 7.1671 7.7080 7.7080 8.2087 8.2087 8.5563 8.5563 8.6334 8.6334 8.6392 8.6392 9.3538 9.3538 11.2310 11.2310 12.1382 12.1382 12.1813 12.1813 12.1878 12.1878 12.5101 12.5101 14.4420 14.4420 k = 0.4394 0.2591-0.0000 ( 2768 PWs) bands (ev): -29.7076 -29.7076 -11.0137 -11.0137 -10.6533 -10.6533 -10.6223 -10.6223 -1.6149 -1.6149 -0.3127 -0.3127 5.2928 5.2928 6.5388 6.5388 6.6038 6.6038 6.8843 6.8843 6.9092 6.9092 7.0299 7.0299 7.1690 7.1690 7.7030 7.7030 8.2086 8.2086 8.5545 8.5545 8.6337 8.6337 8.6377 8.6377 9.4343 9.4343 11.2301 11.2301 12.0672 12.0672 12.2374 12.2374 12.2389 12.2389 12.4519 12.4519 14.4408 14.4408 k = 0.4545 0.2680-0.0000 ( 2760 PWs) bands (ev): -29.7075 -29.7075 -11.0137 -11.0137 -10.6534 -10.6534 -10.6223 -10.6223 -1.5913 -1.5913 -0.3476 -0.3476 5.3036 5.3036 6.5483 6.5483 6.6164 6.6164 6.8685 6.8685 6.8974 6.8974 7.0283 7.0283 7.1706 7.1706 7.6992 7.6992 8.2085 8.2085 8.5530 8.5530 8.6342 8.6342 8.6366 8.6366 9.5033 9.5033 11.2295 11.2295 11.9949 11.9949 12.2806 12.2806 12.2832 12.2832 12.4176 12.4176 14.4399 14.4399 k = 0.4697 0.2770-0.0000 ( 2760 PWs) bands (ev): -29.7075 -29.7075 -11.0138 -11.0138 -10.6535 -10.6535 -10.6223 -10.6223 -1.5735 -1.5735 -0.3735 -0.3735 5.3111 5.3111 6.5555 6.5555 6.6264 6.6264 6.8560 6.8560 6.8883 6.8883 7.0273 7.0273 7.1718 7.1718 7.6964 7.6964 8.2085 8.2085 8.5520 8.5520 8.6343 8.6343 8.6359 8.6359 9.5568 9.5568 11.2290 11.2290 11.9345 11.9345 12.3088 12.3088 12.3172 12.3172 12.4004 12.4004 14.4392 14.4392 k = 0.4848 0.2859-0.0000 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0138 -11.0138 -10.6536 -10.6536 -10.6223 -10.6223 -1.5625 -1.5625 -0.3894 -0.3894 5.3156 5.3156 6.5601 6.5601 6.6331 6.6331 6.8479 6.8479 6.8826 6.8826 7.0267 7.0267 7.1723 7.1723 7.6947 7.6947 8.2084 8.2084 8.5514 8.5514 8.6344 8.6344 8.6354 8.6354 9.5907 9.5907 11.2287 11.2287 11.8948 11.8948 12.3231 12.3231 12.3382 12.3382 12.3949 12.3949 14.4388 14.4388 k = 0.5000 0.2948-0.0000 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0139 -11.0139 -10.6536 -10.6536 -10.6223 -10.6223 -1.5587 -1.5587 -0.3948 -0.3948 5.3171 5.3171 6.5616 6.5616 6.6354 6.6354 6.8451 6.8451 6.8806 6.8806 7.0265 7.0265 7.1726 7.1726 7.6942 7.6942 8.2084 8.2084 8.5512 8.5512 8.6344 8.6344 8.6352 8.6352 9.6024 9.6024 11.2286 11.2286 11.8810 11.8810 12.3269 12.3269 12.3453 12.3453 12.3943 12.3943 14.4386 14.4386 k = 0.5000 0.2948-0.0000 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0139 -11.0139 -10.6536 -10.6536 -10.6223 -10.6223 -1.5587 -1.5587 -0.3948 -0.3948 5.3171 5.3171 6.5616 6.5616 6.6354 6.6354 6.8451 6.8451 6.8806 6.8806 7.0265 7.0265 7.1726 7.1726 7.6942 7.6942 8.2084 8.2084 8.5512 8.5512 8.6344 8.6344 8.6352 8.6352 9.6024 9.6024 11.2286 11.2286 11.8810 11.8810 12.3269 12.3269 12.3453 12.3453 12.3943 12.3943 14.4386 14.4386 k = 0.4937 0.3054 0.0123 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0139 -11.0139 -10.6536 -10.6536 -10.6224 -10.6224 -1.5581 -1.5581 -0.3939 -0.3939 5.3172 5.3172 6.5615 6.5615 6.6352 6.6352 6.8430 6.8430 6.8785 6.8785 7.0267 7.0267 7.1730 7.1730 7.6950 7.6950 8.2079 8.2079 8.5451 8.5451 8.6183 8.6183 8.6528 8.6528 9.6039 9.6039 11.2337 11.2337 11.8727 11.8727 12.3297 12.3297 12.3477 12.3477 12.3978 12.3978 14.4304 14.4304 k = 0.4875 0.3161 0.0246 ( 2772 PWs) bands (ev): -29.7075 -29.7075 -11.0140 -11.0140 -10.6537 -10.6537 -10.6226 -10.6226 -1.5565 -1.5565 -0.3911 -0.3911 5.3174 5.3174 6.5609 6.5609 6.6346 6.6346 6.8361 6.8361 6.8729 6.8729 7.0271 7.0271 7.1741 7.1741 7.6974 7.6974 8.2062 8.2062 8.5291 8.5291 8.5998 8.5998 8.6734 8.6734 9.6080 9.6080 11.2486 11.2486 11.8486 11.8486 12.3356 12.3356 12.3565 12.3565 12.4086 12.4086 14.4071 14.4071 k = 0.4812 0.3267 0.0370 ( 2768 PWs) bands (ev): -29.7075 -29.7075 -11.0141 -11.0141 -10.6537 -10.6537 -10.6229 -10.6229 -1.5538 -1.5538 -0.3864 -0.3864 5.3177 5.3177 6.5599 6.5599 6.6337 6.6337 6.8227 6.8227 6.8654 6.8654 7.0282 7.0282 7.1761 7.1761 7.7012 7.7012 8.2034 8.2034 8.5072 8.5072 8.5772 8.5772 8.6961 8.6961 9.6143 9.6143 11.2727 11.2727 11.8109 11.8109 12.3400 12.3400 12.3736 12.3736 12.4276 12.4276 14.3729 14.3729 k = 0.4750 0.3373 0.0493 ( 2770 PWs) bands (ev): -29.7075 -29.7075 -11.0143 -11.0143 -10.6538 -10.6538 -10.6234 -10.6234 -1.5500 -1.5500 -0.3799 -0.3799 5.3179 5.3179 6.5585 6.5585 6.6326 6.6326 6.8015 6.8015 6.8574 6.8574 7.0299 7.0299 7.1789 7.1789 7.7062 7.7062 8.1995 8.1995 8.4813 8.4813 8.5508 8.5508 8.7201 8.7201 9.6220 9.6220 11.3049 11.3049 11.7622 11.7622 12.3427 12.3427 12.3969 12.3969 12.4552 12.4552 14.3315 14.3315 k = 0.4687 0.3479 0.0616 ( 2774 PWs) bands (ev): -29.7074 -29.7074 -11.0146 -11.0146 -10.6539 -10.6539 -10.6240 -10.6240 -1.5452 -1.5452 -0.3715 -0.3715 5.3181 5.3181 6.5564 6.5564 6.6314 6.6314 6.7725 6.7725 6.8492 6.8492 7.0326 7.0326 7.1827 7.1827 7.7120 7.7120 8.1943 8.1943 8.4519 8.4519 8.5222 8.5222 8.7446 8.7446 9.6303 9.6303 11.3437 11.3437 11.7045 11.7045 12.3444 12.3444 12.4234 12.4234 12.4924 12.4924 14.2864 14.2864 k = 0.4624 0.3585 0.0739 ( 2776 PWs) bands (ev): -29.7073 -29.7073 -11.0149 -11.0149 -10.6541 -10.6541 -10.6247 -10.6247 -1.5394 -1.5394 -0.3612 -0.3612 5.3180 5.3180 6.5536 6.5536 6.6301 6.6301 6.7368 6.7368 6.8404 6.8404 7.0361 7.0361 7.1874 7.1874 7.7184 7.7184 8.1878 8.1878 8.4190 8.4190 8.4934 8.4934 8.7697 8.7697 9.6385 9.6385 11.3876 11.3876 11.6397 11.6397 12.3453 12.3453 12.4513 12.4513 12.5396 12.5396 14.2398 14.2398 k = 0.4562 0.3691 0.0863 ( 2766 PWs) bands (ev): -29.7072 -29.7072 -11.0153 -11.0153 -10.6543 -10.6543 -10.6254 -10.6254 -1.5327 -1.5327 -0.3492 -0.3492 5.3176 5.3176 6.5500 6.5500 6.6283 6.6283 6.6959 6.6959 6.8309 6.8309 7.0408 7.0408 7.1930 7.1930 7.7249 7.7249 8.1801 8.1801 8.3832 8.3832 8.4657 8.4657 8.7950 8.7950 9.6460 9.6460 11.4346 11.4346 11.5697 11.5697 12.3458 12.3458 12.4797 12.4797 12.5968 12.5968 14.1919 14.1920 k = 0.4499 0.3797 0.0986 ( 2758 PWs) bands (ev): -29.7071 -29.7071 -11.0157 -11.0157 -10.6546 -10.6546 -10.6262 -10.6262 -1.5250 -1.5250 -0.3353 -0.3353 5.3163 5.3163 6.5454 6.5454 6.6222 6.6222 6.6547 6.6547 6.8204 6.8204 7.0464 7.0464 7.1995 7.1995 7.7313 7.7313 8.1711 8.1711 8.3454 8.3454 8.4396 8.4396 8.8203 8.8203 9.6522 9.6522 11.4720 11.4720 11.5069 11.5069 12.3458 12.3458 12.5084 12.5084 12.6633 12.6633 14.1217 14.1218 k = 0.4437 0.3904 0.1109 ( 2758 PWs) bands (ev): -29.7070 -29.7070 -11.0162 -11.0162 -10.6550 -10.6550 -10.6271 -10.6271 -1.5165 -1.5165 -0.3196 -0.3196 5.3141 5.3141 6.5395 6.5395 6.5886 6.5886 6.6377 6.6377 6.8089 6.8089 7.0529 7.0529 7.2067 7.2067 7.7371 7.7371 8.1604 8.1604 8.3073 8.3073 8.4147 8.4147 8.8455 8.8455 9.6568 9.6568 11.4091 11.4091 11.5415 11.5415 12.3453 12.3453 12.5375 12.5375 12.7382 12.7382 14.0308 14.0308 k = 0.4374 0.4010 0.1232 ( 2750 PWs) bands (ev): -29.7069 -29.7069 -11.0167 -11.0167 -10.6554 -10.6554 -10.6279 -10.6279 -1.5072 -1.5072 -0.3022 -0.3022 5.3105 5.3105 6.5272 6.5272 6.5424 6.5424 6.6363 6.6363 6.7964 6.7964 7.0604 7.0604 7.2146 7.2146 7.7422 7.7422 8.1479 8.1479 8.2704 8.2704 8.3909 8.3909 8.8707 8.8707 9.6597 9.6597 11.3271 11.3271 11.5925 11.5925 12.3442 12.3442 12.5671 12.5671 12.8197 12.8197 13.9444 13.9445 k = 0.4312 0.4116 0.1355 ( 2746 PWs) bands (ev): -29.7068 -29.7068 -11.0173 -11.0173 -10.6560 -10.6560 -10.6287 -10.6287 -1.4972 -1.4972 -0.2830 -0.2830 5.3052 5.3052 6.4774 6.4774 6.5287 6.5287 6.6375 6.6375 6.7830 6.7830 7.0687 7.0687 7.2231 7.2231 7.7463 7.7463 8.1331 8.1331 8.2360 8.2360 8.3677 8.3677 8.8955 8.8955 9.6605 9.6605 11.2416 11.2416 11.6444 11.6444 12.3425 12.3425 12.5973 12.5973 12.9055 12.9055 13.8664 13.8664 k = 0.4249 0.4222 0.1479 ( 2744 PWs) bands (ev): -29.7067 -29.7067 -11.0180 -11.0180 -10.6568 -10.6568 -10.6294 -10.6294 -1.4866 -1.4866 -0.2620 -0.2620 5.2976 5.2976 6.4201 6.4201 6.5204 6.5204 6.6397 6.6397 6.7688 6.7688 7.0779 7.0779 7.2321 7.2321 7.7492 7.7492 8.1158 8.1158 8.2052 8.2052 8.3450 8.3450 8.9200 8.9200 9.6591 9.6591 11.1540 11.1540 11.6961 11.6961 12.3399 12.3399 12.6284 12.6284 12.9919 12.9919 13.8000 13.8000 k = 0.4186 0.4328 0.1602 ( 2748 PWs) bands (ev): -29.7065 -29.7065 -11.0187 -11.0187 -10.6577 -10.6577 -10.6301 -10.6301 -1.4754 -1.4754 -0.2394 -0.2394 5.2871 5.2871 6.3623 6.3623 6.5119 6.5119 6.6427 6.6427 6.7537 6.7537 7.0879 7.0879 7.2415 7.2415 7.7506 7.7506 8.0959 8.0959 8.1784 8.1784 8.3227 8.3227 8.9441 8.9441 9.6554 9.6554 11.0648 11.0648 11.7474 11.7474 12.3364 12.3364 12.6604 12.6604 13.0730 13.0730 13.7506 13.7506 k = 0.4124 0.4434 0.1725 ( 2744 PWs) bands (ev): -29.7064 -29.7064 -11.0195 -11.0195 -10.6588 -10.6588 -10.6307 -10.6307 -1.4638 -1.4638 -0.2151 -0.2151 5.2731 5.2731 6.3056 6.3056 6.5030 6.5030 6.6464 6.6464 6.7380 6.7380 7.0988 7.0988 7.2513 7.2513 7.7505 7.7505 8.0741 8.0741 8.1554 8.1554 8.3006 8.3006 8.9678 8.9678 9.6494 9.6494 10.9746 10.9746 11.7986 11.7986 12.3318 12.3318 12.6934 12.6934 13.1403 13.1403 13.7259 13.7259 k = 0.4061 0.4540 0.1848 ( 2742 PWs) bands (ev): -29.7062 -29.7062 -11.0203 -11.0203 -10.6600 -10.6600 -10.6312 -10.6312 -1.4518 -1.4518 -0.1892 -0.1892 5.2550 5.2550 6.2514 6.2514 6.4937 6.4937 6.6507 6.6507 6.7217 6.7217 7.1105 7.1105 7.2614 7.2614 7.7487 7.7487 8.0515 8.0515 8.1353 8.1353 8.2786 8.2786 8.9909 8.9909 9.6409 9.6409 10.8838 10.8838 11.8495 11.8495 12.3258 12.3258 12.7276 12.7276 13.1838 13.1838 13.7348 13.7348 k = 0.3999 0.4647 0.1972 ( 2742 PWs) bands (ev): -29.7061 -29.7061 -11.0211 -11.0211 -10.6613 -10.6613 -10.6315 -10.6315 -1.4396 -1.4396 -0.1617 -0.1617 5.2323 5.2323 6.2007 6.2007 6.4841 6.4841 6.6555 6.6555 6.7048 6.7048 7.1229 7.1229 7.2717 7.2717 7.7453 7.7453 8.0292 8.0292 8.1169 8.1169 8.2566 8.2566 9.0135 9.0135 9.6300 9.6300 10.7927 10.7927 11.9006 11.9006 12.3183 12.3183 12.7631 12.7631 13.1994 13.1994 13.7802 13.7802 k = 0.3936 0.4753 0.2095 ( 2738 PWs) bands (ev): -29.7059 -29.7059 -11.0220 -11.0220 -10.6628 -10.6628 -10.6318 -10.6318 -1.4273 -1.4273 -0.1326 -0.1326 5.2045 5.2045 6.1547 6.1547 6.4744 6.4744 6.6608 6.6608 6.6876 6.6876 7.1360 7.1360 7.2821 7.2821 7.7403 7.7403 8.0079 8.0079 8.0995 8.0995 8.2346 8.2346 9.0354 9.0354 9.6167 9.6167 10.7017 10.7017 11.9518 11.9518 12.3090 12.3090 12.7998 12.7998 13.1932 13.1932 13.8533 13.8533 k = 0.3873 0.4859 0.2218 ( 2738 PWs) bands (ev): -29.7058 -29.7058 -11.0230 -11.0230 -10.6644 -10.6644 -10.6319 -10.6319 -1.4150 -1.4150 -0.1020 -0.1020 5.1714 5.1714 6.1137 6.1137 6.4645 6.4645 6.6666 6.6666 6.6700 6.6700 7.1498 7.1498 7.2925 7.2925 7.7338 7.7338 7.9878 7.9878 8.0827 8.0827 8.2126 8.2126 9.0567 9.0567 9.6010 9.6010 10.6111 10.6111 12.0034 12.0034 12.2978 12.2978 12.8380 12.8380 13.1751 13.1751 13.9067 13.9068 k = 0.3811 0.4965 0.2341 ( 2738 PWs) bands (ev): -29.7056 -29.7056 -11.0240 -11.0240 -10.6660 -10.6660 -10.6319 -10.6319 -1.4028 -1.4028 -0.0700 -0.0700 5.1330 5.1330 6.0783 6.0783 6.4545 6.4545 6.6522 6.6522 6.6728 6.6728 7.1643 7.1643 7.3030 7.3030 7.7261 7.7261 7.9690 7.9690 8.0662 8.0662 8.1905 8.1905 9.0774 9.0774 9.5831 9.5831 10.5212 10.5212 12.0555 12.0555 12.2845 12.2845 12.8775 12.8775 13.1528 13.1528 13.9127 13.9127 k = 0.3748 0.5071 0.2464 ( 2740 PWs) bands (ev): -29.7054 -29.7054 -11.0250 -11.0250 -10.6678 -10.6678 -10.6319 -10.6319 -1.3909 -1.3909 -0.0365 -0.0365 5.0897 5.0897 6.0485 6.0485 6.4444 6.4444 6.6343 6.6343 6.6795 6.6795 7.1795 7.1795 7.3134 7.3134 7.7174 7.7174 7.9513 7.9513 8.0500 8.0500 8.1683 8.1683 9.0974 9.0974 9.5630 9.5630 10.4321 10.4321 12.1075 12.1075 12.2695 12.2695 12.9185 12.9185 13.1310 13.1310 13.9194 13.9194 k = 0.3686 0.5177 0.2588 ( 2746 PWs) bands (ev): -29.7053 -29.7053 -11.0260 -11.0260 -10.6696 -10.6696 -10.6318 -10.6318 -1.3794 -1.3794 -0.0017 -0.0017 5.0422 5.0422 6.0238 6.0238 6.4344 6.4344 6.6163 6.6163 6.6866 6.6866 7.1951 7.1951 7.3237 7.3237 7.7081 7.7081 7.9343 7.9343 8.0340 8.0340 8.1460 8.1460 9.1167 9.1167 9.5410 9.5410 10.3440 10.3440 12.1576 12.1576 12.2545 12.2545 12.9608 12.9608 13.1119 13.1119 13.9302 13.9302 k = 0.3623 0.5283 0.2711 ( 2744 PWs) bands (ev): -29.7051 -29.7051 -11.0271 -11.0271 -10.6714 -10.6714 -10.6316 -10.6316 -1.3684 -1.3684 0.0344 0.0344 4.9912 4.9912 6.0038 6.0038 6.4248 6.4248 6.5984 6.5984 6.6941 6.6941 7.2114 7.2114 7.3338 7.3338 7.6985 7.6985 7.9179 7.9179 8.0182 8.0182 8.1235 8.1235 9.1353 9.1353 9.5174 9.5174 10.2571 10.2571 12.1921 12.1921 12.2532 12.2532 13.0043 13.0043 13.0970 13.0970 13.9441 13.9452 k = 0.3560 0.5390 0.2834 ( 2740 PWs) bands (ev): -29.7050 -29.7050 -11.0281 -11.0281 -10.6732 -10.6732 -10.6314 -10.6314 -1.3582 -1.3582 0.0717 0.0717 4.9377 4.9377 5.9878 5.9878 6.4153 6.4153 6.5805 6.5805 6.7021 6.7021 7.2281 7.2281 7.3437 7.3437 7.6888 7.6888 7.9018 7.9018 8.0028 8.0028 8.1009 8.1009 9.1532 9.1532 9.4924 9.4924 10.1716 10.1716 12.1847 12.1847 12.2917 12.2917 13.0489 13.0489 13.0870 13.0870 13.9055 13.9056 k = 0.3498 0.5496 0.2957 ( 2744 PWs) bands (ev): -29.7048 -29.7048 -11.0292 -11.0292 -10.6750 -10.6750 -10.6311 -10.6311 -1.3488 -1.3488 0.1102 0.1102 4.8826 4.8826 5.9751 5.9751 6.4061 6.4061 6.5628 6.5628 6.7104 6.7104 7.2452 7.2452 7.3532 7.3532 7.6793 7.6793 7.8857 7.8857 7.9876 7.9876 8.0781 8.0781 9.1704 9.1704 9.4664 9.4664 10.0876 10.0876 12.1591 12.1591 12.3461 12.3461 13.0807 13.0807 13.0958 13.0958 13.8496 13.8496 k = 0.3435 0.5602 0.3080 ( 2752 PWs) bands (ev): -29.7047 -29.7047 -11.0302 -11.0302 -10.6767 -10.6767 -10.6308 -10.6308 -1.3403 -1.3403 0.1497 0.1497 4.8269 4.8269 5.9647 5.9647 6.3973 6.3973 6.5453 6.5453 6.7191 6.7191 7.2627 7.2627 7.3623 7.3623 7.6704 7.6704 7.8696 7.8696 7.9728 7.9728 8.0551 8.0551 9.1868 9.1868 9.4397 9.4397 10.0051 10.0051 12.1270 12.1270 12.4048 12.4048 13.0814 13.0814 13.1413 13.1413 13.7971 13.7971 k = 0.3373 0.5708 0.3204 ( 2752 PWs) bands (ev): -29.7045 -29.7045 -11.0313 -11.0313 -10.6784 -10.6784 -10.6305 -10.6305 -1.3330 -1.3330 0.1903 0.1903 4.7712 4.7712 5.9562 5.9562 6.3890 6.3890 6.5281 6.5281 6.7282 6.7282 7.2804 7.2804 7.3711 7.3711 7.6621 7.6621 7.8536 7.8536 7.9585 7.9585 8.0322 8.0322 9.2023 9.2023 9.4130 9.4130 9.9243 9.9243 12.0903 12.0903 12.4657 12.4657 13.0864 13.0864 13.1873 13.1873 13.7490 13.7490 k = 0.3310 0.5814 0.3327 ( 2748 PWs) bands (ev): -29.7044 -29.7044 -11.0322 -11.0322 -10.6800 -10.6800 -10.6302 -10.6302 -1.3269 -1.3269 0.2318 0.2318 4.7165 4.7165 5.9488 5.9488 6.3812 6.3812 6.5113 6.5113 6.7377 6.7377 7.2982 7.2982 7.3794 7.3794 7.6546 7.6546 7.8376 7.8376 7.9447 7.9447 8.0092 8.0092 9.2167 9.2167 9.3867 9.3867 9.8453 9.8453 12.0493 12.0493 12.5284 12.5284 13.0963 13.0963 13.2320 13.2320 13.7068 13.7068 k = 0.3248 0.5920 0.3450 ( 2758 PWs) bands (ev): -29.7043 -29.7043 -11.0333 -11.0333 -10.6815 -10.6815 -10.6298 -10.6298 -1.3223 -1.3223 0.2741 0.2741 4.6632 4.6632 5.9419 5.9419 6.3739 6.3739 6.4948 6.4948 6.7475 6.7475 7.3160 7.3160 7.3874 7.3874 7.6480 7.6480 7.8217 7.8217 7.9311 7.9311 7.9862 7.9862 9.2293 9.2293 9.3619 9.3619 9.7679 9.7679 12.0044 12.0044 12.5928 12.5928 13.1105 13.1105 13.2733 13.2733 13.6723 13.6723 k = 0.3185 0.6026 0.3573 ( 2754 PWs) bands (ev): -29.7041 -29.7041 -11.0342 -11.0342 -10.6829 -10.6829 -10.6295 -10.6295 -1.3192 -1.3192 0.3172 0.3172 4.6120 4.6120 5.9351 5.9351 6.3673 6.3673 6.4788 6.4788 6.7578 6.7578 7.3334 7.3334 7.3950 7.3950 7.6425 7.6425 7.8064 7.8064 7.9180 7.9180 7.9635 7.9635 9.2387 9.2387 9.3402 9.3402 9.6925 9.6925 11.9557 11.9557 12.6586 12.6586 13.1289 13.1289 13.3080 13.3080 13.6492 13.6492 k = 0.3122 0.6133 0.3697 ( 2758 PWs) bands (ev): -29.7040 -29.7040 -11.0351 -11.0351 -10.6843 -10.6843 -10.6292 -10.6292 -1.3178 -1.3178 0.3609 0.3609 4.5632 4.5632 5.9279 5.9279 6.3616 6.3616 6.4633 6.4633 6.7684 6.7684 7.3499 7.3499 7.4026 7.4026 7.6380 7.6380 7.7916 7.7916 7.9051 7.9051 7.9413 7.9413 9.2419 9.2419 9.3250 9.3250 9.6190 9.6190 11.9034 11.9034 12.7257 12.7257 13.1510 13.1510 13.3312 13.3312 13.6420 13.6420 k = 0.3060 0.6239 0.3820 ( 2752 PWs) bands (ev): -29.7039 -29.7039 -11.0359 -11.0359 -10.6854 -10.6854 -10.6288 -10.6288 -1.3181 -1.3181 0.4052 0.4052 4.5173 4.5173 5.9201 5.9201 6.3568 6.3568 6.4483 6.4483 6.7794 6.7794 7.3648 7.3648 7.4108 7.4108 7.6347 7.6347 7.7777 7.7777 7.8919 7.8919 7.9202 7.9202 9.2353 9.2353 9.3199 9.3199 9.5477 9.5477 11.8477 11.8477 12.7939 12.7939 13.1765 13.1765 13.3394 13.3394 13.6544 13.6544 k = 0.2997 0.6345 0.3943 ( 2752 PWs) bands (ev): -29.7038 -29.7038 -11.0366 -11.0366 -10.6865 -10.6865 -10.6285 -10.6285 -1.3203 -1.3203 0.4499 0.4499 4.4745 4.4745 5.9113 5.9113 6.3528 6.3528 6.4340 6.4340 6.7908 6.7908 7.3768 7.3768 7.4205 7.4205 7.6327 7.6327 7.7649 7.7649 7.8773 7.8773 7.9017 7.9017 9.2204 9.2204 9.3234 9.3234 9.4790 9.4790 11.7889 11.7889 12.8632 12.8632 13.2050 13.2050 13.3336 13.3336 13.6854 13.6854 k = 0.2935 0.6451 0.4066 ( 2752 PWs) bands (ev): -29.7037 -29.7037 -11.0373 -11.0373 -10.6875 -10.6875 -10.6282 -10.6282 -1.3244 -1.3244 0.4950 0.4950 4.4350 4.4350 5.9014 5.9014 6.3499 6.3499 6.4203 6.4203 6.8024 6.8024 7.3850 7.3850 7.4325 7.4325 7.6319 7.6319 7.7534 7.7534 7.8601 7.8601 7.8870 7.8870 9.2013 9.2013 9.3292 9.3292 9.4150 9.4150 11.7273 11.7273 12.9331 12.9331 13.2361 13.2361 13.3185 13.3185 13.7303 13.7303 k = 0.2935 0.6451 0.4066 ( 2752 PWs) bands (ev): -29.7037 -29.7037 -11.0373 -11.0373 -10.6875 -10.6875 -10.6282 -10.6282 -1.3244 -1.3244 0.4950 0.4950 4.4350 4.4350 5.9014 5.9014 6.3499 6.3499 6.4203 6.4203 6.8024 6.8024 7.3850 7.3850 7.4325 7.4325 7.6319 7.6319 7.7534 7.7534 7.8601 7.8601 7.8870 7.8870 9.2013 9.2013 9.3292 9.3292 9.4150 9.4150 11.7273 11.7273 12.9331 12.9331 13.2361 13.2361 13.3185 13.3185 13.7303 13.7303 k = 0.2772 0.6410 0.4114 ( 2754 PWs) bands (ev): -29.7037 -29.7037 -11.0375 -11.0375 -10.6878 -10.6878 -10.6281 -10.6281 -1.3270 -1.3270 0.5133 0.5133 4.4225 4.4225 5.8909 5.8909 6.3528 6.3528 6.4150 6.4150 6.8075 6.8075 7.3864 7.3864 7.4378 7.4378 7.6321 7.6321 7.7496 7.7496 7.8527 7.8527 7.8826 7.8826 9.1686 9.1686 9.3318 9.3318 9.4189 9.4189 11.7017 11.7017 12.9508 12.9508 13.1825 13.1825 13.3629 13.3629 13.7766 13.7766 k = 0.2609 0.6369 0.4161 ( 2756 PWs) bands (ev): -29.7037 -29.7037 -11.0377 -11.0377 -10.6881 -10.6881 -10.6280 -10.6280 -1.3309 -1.3309 0.5332 0.5332 4.4141 4.4141 5.8682 5.8682 6.3628 6.3628 6.4095 6.4095 6.8136 6.8136 7.3858 7.3858 7.4439 7.4439 7.6329 7.6329 7.7464 7.7464 7.8452 7.8452 7.8788 7.8788 9.1044 9.1044 9.3385 9.3385 9.4565 9.4565 11.6739 11.6739 12.9355 12.9355 13.1202 13.1202 13.4039 13.4039 13.8737 13.8737 k = 0.2446 0.6328 0.4209 ( 2760 PWs) bands (ev): -29.7036 -29.7036 -11.0380 -11.0380 -10.6884 -10.6884 -10.6279 -10.6279 -1.3357 -1.3357 0.5541 0.5541 4.4101 4.4101 5.8347 5.8347 6.3773 6.3773 6.4053 6.4053 6.8204 6.8204 7.3832 7.3832 7.4507 7.4507 7.6340 7.6340 7.7439 7.7439 7.8374 7.8374 7.8757 7.8757 9.0320 9.0320 9.3461 9.3461 9.5078 9.5078 11.6447 11.6447 12.8673 12.8673 13.1042 13.1042 13.4219 13.4219 14.0054 14.0054 k = 0.2282 0.6287 0.4256 ( 2758 PWs) bands (ev): -29.7036 -29.7036 -11.0381 -11.0381 -10.6887 -10.6887 -10.6278 -10.6278 -1.3412 -1.3412 0.5757 0.5757 4.4105 4.4105 5.7923 5.7923 6.3871 6.3871 6.4100 6.4100 6.8278 6.8278 7.3789 7.3789 7.4581 7.4581 7.6352 7.6352 7.7422 7.7422 7.8298 7.8298 7.8733 7.8733 8.9597 8.9597 9.3537 9.3537 9.5654 9.5654 11.6147 11.6147 12.7686 12.7686 13.1171 13.1171 13.4278 13.4278 14.1525 14.1525 k = 0.2119 0.6246 0.4304 ( 2764 PWs) bands (ev): -29.7036 -29.7036 -11.0383 -11.0383 -10.6889 -10.6889 -10.6277 -10.6277 -1.3472 -1.3472 0.5976 0.5976 4.4155 4.4155 5.7428 5.7428 6.3847 6.3847 6.4295 6.4295 6.8355 6.8355 7.3731 7.3731 7.4659 7.4659 7.6363 7.6363 7.7411 7.7411 7.8221 7.8221 7.8715 7.8715 8.8903 8.8903 9.3611 9.3611 9.6262 9.6262 11.5846 11.5846 12.6612 12.6612 13.1391 13.1391 13.4283 13.4283 14.1361 14.1361 k = 0.1956 0.6205 0.4351 ( 2760 PWs) bands (ev): -29.7036 -29.7036 -11.0385 -11.0385 -10.6891 -10.6891 -10.6275 -10.6275 -1.3535 -1.3535 0.6194 0.6194 4.4251 4.4251 5.6875 5.6875 6.3793 6.3793 6.4537 6.4537 6.8434 6.8434 7.3661 7.3661 7.4740 7.4740 7.6371 7.6371 7.7409 7.7409 7.8147 7.8147 7.8705 7.8705 8.8250 8.8250 9.3684 9.3684 9.6890 9.6890 11.5548 11.5548 12.5521 12.5521 13.1639 13.1639 13.4271 13.4271 14.0939 14.0939 k = 0.1793 0.6164 0.4399 ( 2758 PWs) bands (ev): -29.7035 -29.7035 -11.0386 -11.0386 -10.6893 -10.6893 -10.6274 -10.6274 -1.3600 -1.3600 0.6407 0.6407 4.4394 4.4394 5.6279 5.6279 6.3734 6.3734 6.4788 6.4788 6.8514 6.8514 7.3581 7.3581 7.4824 7.4824 7.6373 7.6373 7.7412 7.7412 7.8076 7.8076 7.8702 7.8702 8.7643 8.7643 9.3754 9.3754 9.7529 9.7529 11.5260 11.5260 12.4444 12.4444 13.1889 13.1889 13.4258 13.4258 14.0545 14.0545 k = 0.1630 0.6123 0.4447 ( 2759 PWs) bands (ev): -29.7035 -29.7035 -11.0388 -11.0388 -10.6895 -10.6895 -10.6273 -10.6273 -1.3664 -1.3664 0.6612 0.6612 4.4584 4.4584 5.5647 5.5647 6.3677 6.3677 6.5039 6.5039 6.8592 6.8592 7.3495 7.3495 7.4908 7.4908 7.6370 7.6370 7.7419 7.7419 7.8008 7.8008 7.8706 7.8706 8.7083 8.7083 9.3822 9.3822 9.8172 9.8172 11.4983 11.4983 12.3394 12.3394 13.2127 13.2127 13.4257 13.4257 14.0180 14.0180 k = 0.1467 0.6082 0.4494 ( 2761 PWs) bands (ev): -29.7035 -29.7035 -11.0389 -11.0389 -10.6897 -10.6897 -10.6272 -10.6272 -1.3726 -1.3726 0.6807 0.6807 4.4821 4.4821 5.4989 5.4989 6.3622 6.3622 6.5282 6.5282 6.8669 6.8669 7.3404 7.3404 7.4993 7.4993 7.6360 7.6360 7.7430 7.7430 7.7945 7.7945 7.8719 7.8719 8.6573 8.6573 9.3886 9.3886 9.8811 9.8811 11.4723 11.4723 12.2382 12.2382 13.2340 13.2340 13.4278 13.4278 13.9847 13.9847 k = 0.1304 0.6041 0.4542 ( 2764 PWs) bands (ev): -29.7035 -29.7035 -11.0390 -11.0390 -10.6898 -10.6898 -10.6272 -10.6272 -1.3786 -1.3786 0.6988 0.6988 4.5104 4.5104 5.4313 5.4313 6.3571 6.3571 6.5513 6.5513 6.8741 6.8741 7.3312 7.3312 7.5078 7.5078 7.6343 7.6343 7.7441 7.7441 7.7886 7.7886 7.8739 7.8739 8.6112 8.6112 9.3945 9.3945 9.9440 9.9440 11.4482 11.4482 12.1417 12.1417 13.2520 13.2520 13.4325 13.4325 13.9547 13.9547 k = 0.1141 0.6001 0.4589 ( 2755 PWs) bands (ev): -29.7035 -29.7035 -11.0391 -11.0391 -10.6899 -10.6899 -10.6270 -10.6270 -1.3840 -1.3840 0.7153 0.7153 4.5434 4.5434 5.3624 5.3624 6.3525 6.3525 6.5726 6.5726 6.8810 6.8810 7.3221 7.3221 7.5161 7.5161 7.6321 7.6321 7.7453 7.7453 7.7833 7.7833 7.8765 7.8765 8.5702 8.5702 9.4000 9.4000 10.0050 10.0050 11.4264 11.4264 12.0510 12.0510 13.2662 13.2662 13.4401 13.4401 13.9280 13.9280 k = 0.0978 0.5960 0.4637 ( 2759 PWs) bands (ev): -29.7035 -29.7035 -11.0392 -11.0392 -10.6901 -10.6901 -10.6270 -10.6270 -1.3890 -1.3890 0.7300 0.7300 4.5807 4.5807 5.2929 5.2929 6.3484 6.3484 6.5918 6.5918 6.8873 6.8873 7.3134 7.3134 7.5242 7.5242 7.6293 7.6293 7.7464 7.7464 7.7787 7.7787 7.8796 7.8796 8.5343 8.5343 9.4049 9.4049 10.0629 10.0629 11.4069 11.4069 11.9673 11.9673 13.2764 13.2764 13.4500 13.4500 13.9047 13.9047 k = 0.0815 0.5919 0.4684 ( 2759 PWs) bands (ev): -29.7035 -29.7035 -11.0392 -11.0392 -10.6901 -10.6901 -10.6269 -10.6269 -1.3933 -1.3933 0.7427 0.7427 4.6224 4.6224 5.2233 5.2233 6.3449 6.3449 6.6087 6.6087 6.8929 6.8929 7.3053 7.3053 7.5319 7.5319 7.6260 7.6260 7.7473 7.7473 7.7747 7.7747 7.8829 7.8829 8.5035 8.5035 9.4092 9.4092 10.1164 10.1164 11.3902 11.3902 11.8918 11.8918 13.2833 13.2833 13.4612 13.4612 13.8849 13.8849 k = 0.0652 0.5878 0.4732 ( 2754 PWs) bands (ev): -29.7034 -29.7034 -11.0393 -11.0393 -10.6902 -10.6902 -10.6269 -10.6269 -1.3969 -1.3969 0.7533 0.7533 4.6681 4.6681 5.1544 5.1544 6.3420 6.3420 6.6229 6.6229 6.8978 6.8978 7.2982 7.2982 7.5390 7.5390 7.6226 7.6226 7.7480 7.7480 7.7714 7.7714 7.8862 7.8862 8.4781 8.4781 9.4128 9.4128 10.1641 10.1641 11.3762 11.3762 11.8263 11.8263 13.2877 13.2877 13.4726 13.4726 13.8686 13.8686 k = 0.0489 0.5837 0.4779 ( 2751 PWs) bands (ev): -29.7034 -29.7034 -11.0393 -11.0393 -10.6902 -10.6902 -10.6268 -10.6268 -1.3998 -1.3998 0.7617 0.7617 4.7175 4.7175 5.0865 5.0865 6.3398 6.3398 6.6342 6.6342 6.9017 6.9017 7.2923 7.2923 7.5453 7.5453 7.6192 7.6192 7.7486 7.7486 7.7688 7.7688 7.8892 7.8892 8.4581 8.4581 9.4156 9.4156 10.2040 10.2040 11.3652 11.3652 11.7724 11.7724 13.2904 13.2904 13.4827 13.4827 13.8559 13.8559 k = 0.0326 0.5796 0.4827 ( 2751 PWs) bands (ev): -29.7034 -29.7034 -11.0393 -11.0393 -10.6903 -10.6903 -10.6268 -10.6268 -1.4019 -1.4019 0.7678 0.7678 4.7701 4.7701 5.0206 5.0206 6.3382 6.3382 6.6424 6.6424 6.9046 6.9046 7.2879 7.2879 7.5504 7.5504 7.6162 7.6162 7.7489 7.7489 7.7670 7.7670 7.8916 7.8916 8.4437 8.4437 9.4177 9.4177 10.2343 10.2343 11.3573 11.3573 11.7320 11.7320 13.2918 13.2918 13.4907 13.4907 13.8468 13.8468 k = 0.0163 0.5755 0.4874 ( 2752 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6903 -10.6903 -10.6267 -10.6267 -1.4031 -1.4031 0.7714 0.7714 4.8243 4.8243 4.9584 4.9584 6.3372 6.3372 6.6475 6.6475 6.9064 6.9064 7.2852 7.2852 7.5537 7.5537 7.6140 7.6140 7.7492 7.7492 7.7658 7.7658 7.8931 7.8931 8.4349 8.4349 9.4190 9.4190 10.2534 10.2534 11.3525 11.3525 11.7070 11.7070 13.2925 13.2925 13.4958 13.4958 13.8413 13.8413 k = 0.0000 0.5714 0.4922 ( 2758 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6903 -10.6903 -10.6268 -10.6268 -1.4036 -1.4036 0.7726 0.7726 4.8630 4.8630 4.9170 4.9170 6.3368 6.3368 6.6491 6.6491 6.9069 6.9069 7.2843 7.2843 7.5548 7.5548 7.6132 7.6132 7.7492 7.7492 7.7654 7.7654 7.8936 7.8936 8.4320 8.4320 9.4194 9.4194 10.2599 10.2599 11.3509 11.3509 11.6985 11.6985 13.2928 13.2928 13.4975 13.4975 13.8394 13.8394 k = 0.0000 0.5714 0.4922 ( 2758 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6903 -10.6903 -10.6268 -10.6268 -1.4036 -1.4036 0.7726 0.7726 4.8630 4.8630 4.9170 4.9170 6.3368 6.3368 6.6491 6.6491 6.9069 6.9069 7.2843 7.2843 7.5548 7.5548 7.6132 7.6132 7.7492 7.7492 7.7654 7.7654 7.8936 7.8936 8.4320 8.4320 9.4194 9.4194 10.2599 10.2599 11.3509 11.3509 11.6985 11.6985 13.2928 13.2928 13.4975 13.4975 13.8394 13.8394 k = 0.0063 0.5608 0.5045 ( 2752 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6903 -10.6903 -10.6268 -10.6268 -1.4034 -1.4034 0.7734 0.7734 4.8633 4.8633 4.9173 4.9173 6.3339 6.3339 6.6513 6.6513 6.9067 6.9067 7.2847 7.2847 7.5539 7.5539 7.6129 7.6129 7.7480 7.7480 7.7682 7.7682 7.8933 7.8933 8.4320 8.4320 9.4166 9.4166 10.2582 10.2582 11.3386 11.3386 11.6990 11.6990 13.3069 13.3069 13.4995 13.4995 13.8442 13.8442 k = 0.0125 0.5502 0.5168 ( 2754 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6902 -10.6902 -10.6271 -10.6271 -1.4027 -1.4027 0.7759 0.7759 4.8641 4.8641 4.9183 4.9183 6.3255 6.3255 6.6574 6.6574 6.9060 6.9060 7.2858 7.2858 7.5510 7.5510 7.6117 7.6117 7.7461 7.7461 7.7749 7.7749 7.8923 7.8923 8.4320 8.4320 9.4083 9.4083 10.2531 10.2531 11.3026 11.3026 11.7004 11.7004 13.3481 13.3481 13.5054 13.5054 13.8584 13.8584 k = 0.0187 0.5396 0.5291 ( 2754 PWs) bands (ev): -29.7034 -29.7034 -11.0394 -11.0394 -10.6902 -10.6902 -10.6274 -10.6274 -1.4017 -1.4017 0.7799 0.7799 4.8655 4.8655 4.9198 4.9198 6.3122 6.3122 6.6670 6.6670 6.9047 6.9047 7.2877 7.2877 7.5467 7.5467 7.6095 7.6095 7.7451 7.7451 7.7833 7.7833 7.8908 7.8908 8.4319 8.4319 9.3947 9.3947 10.2444 10.2444 11.2461 11.2461 11.7026 11.7026 13.4135 13.4135 13.5156 13.5156 13.8815 13.8815 k = 0.0250 0.5290 0.5414 ( 2750 PWs) bands (ev): -29.7033 -29.7033 -11.0395 -11.0395 -10.6900 -10.6900 -10.6280 -10.6280 -1.4003 -1.4003 0.7856 0.7856 4.8674 4.8674 4.9218 4.9218 6.2949 6.2949 6.6789 6.6789 6.9031 6.9031 7.2903 7.2903 7.5412 7.5412 7.6064 7.6064 7.7456 7.7456 7.7928 7.7928 7.8889 7.8889 8.4319 8.4319 9.3763 9.3763 10.2322 10.2322 11.1729 11.1729 11.7057 11.7057 13.4984 13.4984 13.5308 13.5308 13.9129 13.9129 k = 0.0312 0.5184 0.5537 ( 2754 PWs) bands (ev): -29.7033 -29.7033 -11.0395 -11.0395 -10.6899 -10.6899 -10.6286 -10.6286 -1.3984 -1.3984 0.7929 0.7929 4.8698 4.8698 4.9244 4.9244 6.2746 6.2746 6.6925 6.6925 6.9012 6.9012 7.2935 7.2935 7.5349 7.5349 7.6024 7.6024 7.7473 7.7473 7.8028 7.8028 7.8868 7.8868 8.4317 8.4317 9.3534 9.3534 10.2163 10.2163 11.0869 11.0869 11.7095 11.7095 13.5482 13.5482 13.6017 13.6017 13.9517 13.9517 k = 0.0375 0.5078 0.5660 ( 2756 PWs) bands (ev): -29.7032 -29.7032 -11.0396 -11.0396 -10.6897 -10.6897 -10.6295 -10.6295 -1.3962 -1.3962 0.8017 0.8017 4.8727 4.8727 4.9273 4.9273 6.2520 6.2520 6.7068 6.7068 6.8992 6.8992 7.2970 7.2970 7.5282 7.5282 7.5979 7.5979 7.7497 7.7497 7.8131 7.8131 7.8847 7.8847 8.4316 8.4316 9.3267 9.3267 10.1966 10.1966 10.9918 10.9918 11.7140 11.7140 13.5723 13.5723 13.7153 13.7153 13.9972 13.9972 k = 0.0437 0.4972 0.5783 ( 2760 PWs) bands (ev): -29.7031 -29.7031 -11.0397 -11.0397 -10.6895 -10.6895 -10.6304 -10.6304 -1.3936 -1.3936 0.8120 0.8120 4.8759 4.8759 4.9307 4.9307 6.2278 6.2278 6.7213 6.7213 6.8970 6.8970 7.3009 7.3009 7.5214 7.5214 7.5930 7.5930 7.7521 7.7521 7.8234 7.8234 7.8830 7.8830 8.4313 8.4313 9.2967 9.2967 10.1730 10.1730 10.8906 10.8906 11.7190 11.7190 13.6008 13.6008 13.8383 13.8383 14.0484 14.0484 k = 0.0500 0.4866 0.5906 ( 2762 PWs) bands (ev): -29.7031 -29.7031 -11.0398 -11.0398 -10.6893 -10.6893 -10.6315 -10.6315 -1.3906 -1.3906 0.8239 0.8239 4.8794 4.8794 4.9342 4.9342 6.2024 6.2024 6.7355 6.7355 6.8951 6.8951 7.3049 7.3049 7.5147 7.5147 7.5883 7.5883 7.7540 7.7540 7.8333 7.8333 7.8822 7.8822 8.4311 8.4311 9.2640 9.2640 10.1457 10.1457 10.7855 10.7855 11.7244 11.7244 13.6339 13.6339 13.9679 13.9679 14.1045 14.1045 k = 0.0563 0.4760 0.6029 ( 2762 PWs) bands (ev): -29.7030 -29.7030 -11.0399 -11.0399 -10.6890 -10.6890 -10.6326 -10.6326 -1.3873 -1.3873 0.8372 0.8372 4.8831 4.8831 4.9380 4.9380 6.1764 6.1764 6.7489 6.7489 6.8935 6.8935 7.3089 7.3089 7.5083 7.5083 7.5839 7.5839 7.7547 7.7547 7.8428 7.8428 7.8828 7.8828 8.4307 8.4307 9.2293 9.2293 10.1147 10.1147 10.6784 10.6784 11.7300 11.7300 13.6714 13.6714 14.1019 14.1019 14.1646 14.1646 k = 0.0625 0.4654 0.6152 ( 2764 PWs) bands (ev): -29.7029 -29.7029 -11.0401 -11.0401 -10.6887 -10.6887 -10.6339 -10.6339 -1.3837 -1.3837 0.8520 0.8520 4.8870 4.8870 4.9417 4.9417 6.1500 6.1500 6.7611 6.7611 6.8924 6.8924 7.3126 7.3126 7.5024 7.5024 7.5800 7.5800 7.7537 7.7537 7.8517 7.8517 7.8852 7.8852 8.4303 8.4303 9.1930 9.1930 10.0801 10.0801 10.5708 10.5708 11.7358 11.7358 13.7129 13.7129 14.2274 14.2274 14.2387 14.2387 k = 0.0688 0.4548 0.6275 ( 2764 PWs) bands (ev): -29.7027 -29.7027 -11.0402 -11.0402 -10.6885 -10.6885 -10.6352 -10.6352 -1.3797 -1.3797 0.8680 0.8680 4.8909 4.8909 4.9454 4.9454 6.1237 6.1237 6.7719 6.7719 6.8920 6.8920 7.3159 7.3159 7.4972 7.4972 7.5769 7.5769 7.7507 7.7507 7.8597 7.8597 7.8895 7.8895 8.4298 8.4298 9.1556 9.1556 10.0421 10.0421 10.4640 10.4640 11.7415 11.7415 13.7581 13.7581 14.2930 14.2930 14.3756 14.3756 k = 0.0750 0.4442 0.6399 ( 2760 PWs) bands (ev): -29.7026 -29.7026 -11.0404 -11.0404 -10.6882 -10.6882 -10.6365 -10.6365 -1.3755 -1.3755 0.8854 0.8854 4.8947 4.8947 4.9489 4.9489 6.0978 6.0978 6.7811 6.7811 6.8926 6.8926 7.3187 7.3187 7.4929 7.4929 7.5748 7.5748 7.7456 7.7456 7.8670 7.8670 7.8955 7.8955 8.4292 8.4292 9.1176 9.1176 10.0010 10.0010 10.3587 10.3587 11.7469 11.7469 13.8067 13.8067 14.3597 14.3597 14.5121 14.5121 k = 0.0813 0.4336 0.6522 ( 2760 PWs) bands (ev): -29.7025 -29.7025 -11.0406 -11.0406 -10.6879 -10.6879 -10.6380 -10.6380 -1.3710 -1.3710 0.9041 0.9041 4.8982 4.8982 4.9520 4.9520 6.0725 6.0725 6.7885 6.7885 6.8940 6.8940 7.3206 7.3206 7.4896 7.4896 7.5735 7.5735 7.7387 7.7387 7.8739 7.8739 7.9027 7.9027 8.4285 8.4285 9.0795 9.0795 9.9570 9.9570 10.2560 10.2560 11.7519 11.7519 13.8582 13.8582 14.4268 14.4268 14.6463 14.6463 k = 0.0875 0.4230 0.6645 ( 2764 PWs) bands (ev): -29.7024 -29.7024 -11.0408 -11.0408 -10.6877 -10.6877 -10.6395 -10.6395 -1.3663 -1.3663 0.9238 0.9238 4.9014 4.9014 4.9546 4.9546 6.0480 6.0480 6.7942 6.7942 6.8964 6.8964 7.3217 7.3217 7.4874 7.4874 7.5732 7.5732 7.7303 7.7303 7.8804 7.8804 7.9106 7.9106 8.4277 8.4277 9.0414 9.0414 9.9103 9.9103 10.1565 10.1565 11.7560 11.7560 13.9122 13.9122 14.4937 14.4937 14.7769 14.7769 k = 0.0938 0.4124 0.6768 ( 2760 PWs) bands (ev): -29.7022 -29.7022 -11.0411 -11.0411 -10.6874 -10.6874 -10.6409 -10.6409 -1.3613 -1.3613 0.9447 0.9447 4.9042 4.9042 4.9565 4.9565 6.0247 6.0247 6.7985 6.7985 6.8994 6.8994 7.3218 7.3218 7.4864 7.4864 7.5738 7.5738 7.7207 7.7207 7.8867 7.8867 7.9188 7.9188 8.4267 8.4267 9.0037 9.0037 9.8612 9.8612 10.0609 10.0609 11.7592 11.7592 13.9684 13.9684 14.5596 14.5596 14.9018 14.9018 k = 0.1000 0.4018 0.6891 ( 2760 PWs) bands (ev): -29.7021 -29.7021 -11.0413 -11.0413 -10.6872 -10.6872 -10.6424 -10.6424 -1.3562 -1.3562 0.9665 0.9665 4.9063 4.9063 4.9577 4.9577 6.0028 6.0028 6.8016 6.8016 6.9028 6.9028 7.3212 7.3212 7.4864 7.4864 7.5753 7.5753 7.7102 7.7102 7.8926 7.8926 7.9271 7.9271 8.4256 8.4256 8.9667 8.9667 9.8098 9.8098 9.9698 9.9698 11.7610 11.7610 14.0263 14.0263 14.6239 14.6239 15.0149 15.0149 k = 0.1062 0.3912 0.7014 ( 2764 PWs) bands (ev): -29.7019 -29.7019 -11.0416 -11.0416 -10.6870 -10.6870 -10.6438 -10.6438 -1.3509 -1.3509 0.9893 0.9893 4.9076 4.9076 4.9580 4.9580 5.9825 5.9825 6.8038 6.8038 6.9064 6.9064 7.3196 7.3196 7.4874 7.4874 7.5774 7.5774 7.6991 7.6991 7.8980 7.8980 7.9352 7.9352 8.4244 8.4244 8.9304 8.9304 9.7561 9.7561 9.8840 9.8840 11.7614 11.7614 14.0855 14.0855 14.6863 14.6863 15.0270 15.0270 k = 0.1125 0.3806 0.7137 ( 2764 PWs) bands (ev): -29.7018 -29.7018 -11.0419 -11.0419 -10.6869 -10.6869 -10.6452 -10.6452 -1.3455 -1.3455 1.0128 1.0128 4.9081 4.9081 4.9573 4.9573 5.9639 5.9639 6.8056 6.8056 6.9098 6.9098 7.3175 7.3175 7.4893 7.4893 7.5801 7.5801 7.6878 7.6878 7.9031 7.9031 7.9433 7.9433 8.4230 8.4230 8.8952 8.8952 9.7000 9.7000 9.8043 9.8043 11.7600 11.7600 14.1458 14.1458 14.7464 14.7464 14.9580 14.9580 k = 0.1187 0.3700 0.7260 ( 2764 PWs) bands (ev): -29.7016 -29.7016 -11.0423 -11.0423 -10.6868 -10.6868 -10.6466 -10.6466 -1.3400 -1.3400 1.0370 1.0370 4.9076 4.9076 4.9555 4.9555 5.9474 5.9474 6.8071 6.8071 6.9130 6.9130 7.3148 7.3148 7.4917 7.4917 7.5831 7.5831 7.6765 7.6765 7.9077 7.9077 7.9511 7.9511 8.4214 8.4214 8.8610 8.8610 9.6417 9.6417 9.7311 9.7311 11.7566 11.7566 14.2068 14.2068 14.8041 14.8041 14.8912 14.8912 k = 0.1250 0.3594 0.7383 ( 2768 PWs) bands (ev): -29.7015 -29.7015 -11.0426 -11.0426 -10.6868 -10.6868 -10.6478 -10.6478 -1.3345 -1.3345 1.0618 1.0618 4.9061 4.9061 4.9526 4.9526 5.9329 5.9329 6.8086 6.8086 6.9157 6.9157 7.3118 7.3118 7.4944 7.4944 7.5863 7.5863 7.6654 7.6654 7.9119 7.9119 7.9587 7.9587 8.4197 8.4197 8.8278 8.8278 9.5816 9.5816 9.6645 9.6645 11.7510 11.7510 14.2682 14.2682 14.8297 14.8297 14.8607 14.8607 k = 0.1313 0.3488 0.7506 ( 2760 PWs) bands (ev): -29.7013 -29.7013 -11.0430 -11.0430 -10.6869 -10.6869 -10.6490 -10.6490 -1.3289 -1.3289 1.0870 1.0870 4.9035 4.9035 4.9484 4.9484 5.9207 5.9207 6.8103 6.8103 6.9179 6.9179 7.3087 7.3087 7.4973 7.4973 7.5894 7.5894 7.6549 7.6549 7.9159 7.9159 7.9661 7.9661 8.4178 8.4178 8.7959 8.7959 9.5212 9.5212 9.6036 9.6036 11.7430 11.7430 14.3297 14.3297 14.7773 14.7773 14.9136 14.9136 k = 0.1375 0.3382 0.7629 ( 2762 PWs) bands (ev): -29.7011 -29.7011 -11.0434 -11.0434 -10.6870 -10.6870 -10.6501 -10.6501 -1.3233 -1.3233 1.1124 1.1124 4.8998 4.8998 4.9430 4.9430 5.9108 5.9108 6.8121 6.8121 6.9195 6.9195 7.3056 7.3056 7.4997 7.4997 7.5922 7.5922 7.6452 7.6452 7.9198 7.9198 7.9731 7.9731 8.4157 8.4157 8.7650 8.7650 9.4622 9.4622 9.5471 9.5471 11.7327 11.7327 14.3911 14.3911 14.7324 14.7324 14.9651 14.9651 k = 0.1437 0.3276 0.7752 ( 2764 PWs) bands (ev): -29.7010 -29.7010 -11.0438 -11.0438 -10.6872 -10.6872 -10.6510 -10.6510 -1.3178 -1.3178 1.1380 1.1380 4.8950 4.8950 4.9363 4.9363 5.9031 5.9031 6.8143 6.8143 6.9205 6.9205 7.3025 7.3025 7.5016 7.5016 7.5945 7.5945 7.6364 7.6364 7.9237 7.9237 7.9799 7.9799 8.4134 8.4134 8.7352 8.7352 9.4059 9.4059 9.4941 9.4941 11.7199 11.7199 14.4519 14.4519 14.6957 14.6957 15.0151 15.0151 k = 0.1500 0.3170 0.7875 ( 2768 PWs) bands (ev): -29.7008 -29.7008 -11.0442 -11.0442 -10.6876 -10.6876 -10.6519 -10.6519 -1.3124 -1.3124 1.1636 1.1636 4.8892 4.8892 4.9285 4.9285 5.8976 5.8976 6.8166 6.8166 6.9210 6.9210 7.2997 7.2997 7.5026 7.5026 7.5963 7.5963 7.6287 7.6287 7.9278 7.9278 7.9865 7.9865 8.4108 8.4108 8.7063 8.7063 9.3532 9.3532 9.4440 9.4440 11.7048 11.7048 14.5120 14.5120 14.6673 14.6673 15.0640 15.0640 k = 0.1562 0.3064 0.7998 ( 2766 PWs) bands (ev): -29.7007 -29.7007 -11.0446 -11.0446 -10.6879 -10.6879 -10.6526 -10.6526 -1.3071 -1.3071 1.1890 1.1890 4.8825 4.8825 4.9196 4.9196 5.8942 5.8942 6.8193 6.8193 6.9210 6.9210 7.2972 7.2972 7.5026 7.5026 7.5976 7.5976 7.6222 7.6222 7.9323 7.9323 7.9930 7.9930 8.4082 8.4082 8.6785 8.6785 9.3045 9.3045 9.3966 9.3966 11.6875 11.6875 14.5711 14.5711 14.6475 14.6475 15.1121 15.1121 k = 0.1625 0.2958 0.8121 ( 2768 PWs) bands (ev): -29.7006 -29.7006 -11.0450 -11.0450 -10.6883 -10.6883 -10.6532 -10.6532 -1.3019 -1.3019 1.2140 1.2140 4.8750 4.8750 4.9098 4.9098 5.8927 5.8927 6.8221 6.8221 6.9207 6.9207 7.2951 7.2951 7.5014 7.5014 7.5981 7.5981 7.6168 7.6168 7.9374 7.9374 7.9993 7.9993 8.4052 8.4052 8.6514 8.6514 9.2599 9.2599 9.3519 9.3519 11.6683 11.6683 14.6283 14.6283 14.6367 14.6367 15.1597 15.1597 k = 0.1688 0.2852 0.8244 ( 2768 PWs) bands (ev): -29.7004 -29.7004 -11.0454 -11.0454 -10.6888 -10.6888 -10.6537 -10.6537 -1.2969 -1.2969 1.2384 1.2384 4.8670 4.8670 4.8992 4.8992 5.8930 5.8930 6.8251 6.8251 6.9200 6.9200 7.2934 7.2934 7.4991 7.4991 7.5979 7.5979 7.6125 7.6125 7.9432 7.9432 8.0057 8.0057 8.4021 8.4021 8.6252 8.6252 9.2195 9.2195 9.3101 9.3101 11.6475 11.6475 14.6328 14.6328 14.6854 14.6854 15.2071 15.2071 k = 0.1750 0.2746 0.8367 ( 2768 PWs) bands (ev): -29.7003 -29.7003 -11.0458 -11.0458 -10.6893 -10.6893 -10.6541 -10.6541 -1.2922 -1.2922 1.2621 1.2621 4.8585 4.8585 4.8879 4.8879 5.8948 5.8948 6.8282 6.8282 6.9190 6.9190 7.2922 7.2922 7.4960 7.4960 7.5966 7.5966 7.6094 7.6094 7.9498 7.9498 8.0120 8.0120 8.3988 8.3988 8.5997 8.5997 9.1831 9.1831 9.2713 9.2713 11.6255 11.6255 14.6379 14.6379 14.7401 14.7401 15.2543 15.2543 k = 0.1812 0.2640 0.8490 ( 2766 PWs) bands (ev): -29.7002 -29.7002 -11.0462 -11.0462 -10.6899 -10.6899 -10.6544 -10.6544 -1.2876 -1.2876 1.2849 1.2849 4.8497 4.8497 4.8763 4.8763 5.8979 5.8979 6.8311 6.8311 6.9179 6.9179 7.2914 7.2914 7.4922 7.4922 7.5941 7.5941 7.6075 7.6075 7.9572 7.9572 8.0185 8.0185 8.3952 8.3952 8.5750 8.5750 9.1506 9.1506 9.2356 9.2356 11.6027 11.6027 14.6508 14.6508 14.7930 14.7930 15.3015 15.3015 k = 0.1875 0.2534 0.8613 ( 2762 PWs) bands (ev): -29.7000 -29.7000 -11.0466 -11.0466 -10.6904 -10.6904 -10.6546 -10.6546 -1.2834 -1.2834 1.3065 1.3065 4.8410 4.8410 4.8644 4.8644 5.9020 5.9020 6.8340 6.8340 6.9168 6.9168 7.2911 7.2911 7.4880 7.4880 7.5905 7.5905 7.6063 7.6063 7.9653 7.9653 8.0250 8.0250 8.3915 8.3915 8.5511 8.5511 9.1218 9.1218 9.2032 9.2032 11.5797 11.5797 14.6712 14.6712 14.8439 14.8439 15.3484 15.3484 k = 0.1938 0.2428 0.8736 ( 2764 PWs) bands (ev): -29.6999 -29.6999 -11.0469 -11.0469 -10.6909 -10.6909 -10.6548 -10.6548 -1.2795 -1.2795 1.3269 1.3269 4.8323 4.8323 4.8527 4.8527 5.9069 5.9069 6.8366 6.8366 6.9156 6.9156 7.2911 7.2911 7.4836 7.4836 7.5865 7.5865 7.6054 7.6054 7.9741 7.9741 8.0315 8.0315 8.3875 8.3875 8.5281 8.5281 9.0965 9.0965 9.1741 9.1741 11.5568 11.5568 14.6988 14.6988 14.8927 14.8927 15.3948 15.3948 k = 0.2000 0.2322 0.8859 ( 2762 PWs) bands (ev): -29.6998 -29.6998 -11.0473 -11.0473 -10.6914 -10.6914 -10.6549 -10.6549 -1.2759 -1.2759 1.3457 1.3457 4.8240 4.8240 4.8414 4.8414 5.9121 5.9121 6.8389 6.8389 6.9145 6.9145 7.2914 7.2914 7.4792 7.4792 7.5824 7.5824 7.6042 7.6042 7.9835 7.9835 8.0379 8.0379 8.3833 8.3833 8.5062 8.5062 9.0745 9.0745 9.1484 9.1484 11.5347 11.5347 14.7331 14.7331 14.9393 14.9393 15.4402 15.4402 k = 0.2062 0.2216 0.8983 ( 2762 PWs) bands (ev): -29.6998 -29.6998 -11.0476 -11.0476 -10.6919 -10.6919 -10.6550 -10.6550 -1.2726 -1.2726 1.3628 1.3628 4.8163 4.8163 4.8306 4.8306 5.9175 5.9175 6.8408 6.8408 6.9136 6.9136 7.2921 7.2921 7.4751 7.4751 7.5786 7.5786 7.6029 7.6029 7.9932 7.9932 8.0440 8.0440 8.3789 8.3789 8.4857 8.4857 9.0555 9.0555 9.1260 9.1260 11.5139 11.5139 14.7738 14.7738 14.9834 14.9834 15.4839 15.4839 k = 0.2125 0.2110 0.9106 ( 2764 PWs) bands (ev): -29.6997 -29.6997 -11.0478 -11.0478 -10.6924 -10.6924 -10.6551 -10.6551 -1.2698 -1.2698 1.3780 1.3780 4.8091 4.8091 4.8207 4.8207 5.9229 5.9229 6.8424 6.8424 6.9129 6.9129 7.2929 7.2929 7.4711 7.4711 7.5752 7.5752 7.6011 7.6011 8.0031 8.0031 8.0497 8.0497 8.3742 8.3742 8.4670 8.4670 9.0394 9.0394 9.1068 9.1068 11.4947 11.4947 14.8205 14.8205 15.0247 15.0247 15.5251 15.5251 k = 0.2188 0.2004 0.9229 ( 2762 PWs) bands (ev): -29.6996 -29.6996 -11.0481 -11.0481 -10.6928 -10.6928 -10.6551 -10.6551 -1.2673 -1.2673 1.3912 1.3912 4.8028 4.8028 4.8120 4.8120 5.9278 5.9278 6.8435 6.8435 6.9123 6.9123 7.2938 7.2938 7.4676 7.4676 7.5724 7.5724 7.5992 7.5992 8.0128 8.0128 8.0548 8.0548 8.3694 8.3694 8.4505 8.4505 9.0261 9.0261 9.0910 9.0910 11.4777 11.4777 14.8727 14.8727 15.0627 15.0627 15.5625 15.5625 k = 0.2250 0.1898 0.9352 ( 2762 PWs) bands (ev): -29.6996 -29.6996 -11.0483 -11.0483 -10.6931 -10.6931 -10.6551 -10.6551 -1.2653 -1.2653 1.4022 1.4022 4.7974 4.7974 4.8046 4.8046 5.9322 5.9322 6.8443 6.8443 6.9120 6.9120 7.2948 7.2948 7.4645 7.4645 7.5703 7.5703 7.5972 7.5972 8.0221 8.0221 8.0590 8.0590 8.3645 8.3645 8.4367 8.4367 9.0154 9.0154 9.0782 9.0782 11.4633 11.4633 14.9300 14.9300 15.0967 15.0967 15.5375 15.5375 k = 0.2313 0.1792 0.9475 ( 2758 PWs) bands (ev): -29.6995 -29.6995 -11.0484 -11.0484 -10.6934 -10.6934 -10.6551 -10.6551 -1.2637 -1.2637 1.4109 1.4109 4.7929 4.7929 4.7988 4.7988 5.9359 5.9359 6.8449 6.8449 6.9118 6.9118 7.2956 7.2956 7.4619 7.4619 7.5688 7.5688 7.5952 7.5952 8.0305 8.0305 8.0621 8.0621 8.3599 8.3599 8.4259 8.4259 9.0071 9.0071 9.0684 9.0684 11.4517 11.4517 14.9917 14.9917 15.1256 15.1256 15.4547 15.4547 k = 0.2375 0.1686 0.9598 ( 2756 PWs) bands (ev): -29.6995 -29.6995 -11.0485 -11.0485 -10.6935 -10.6935 -10.6551 -10.6551 -1.2626 -1.2626 1.4172 1.4172 4.7895 4.7895 4.7947 4.7947 5.9386 5.9386 6.8453 6.8453 6.9117 6.9117 7.2963 7.2963 7.4601 7.4601 7.5679 7.5679 7.5935 7.5935 8.0374 8.0374 8.0640 8.0640 8.3559 8.3559 8.4182 8.4182 9.0013 9.0013 9.0615 9.0615 11.4432 11.4432 15.0570 15.0570 15.1480 15.1480 15.3736 15.3736 k = 0.2437 0.1580 0.9721 ( 2756 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2619 -1.2619 1.4210 1.4210 4.7873 4.7873 4.7923 4.7923 5.9402 5.9402 6.8454 6.8454 6.9116 6.9116 7.2968 7.2968 7.4589 7.4589 7.5674 7.5674 7.5924 7.5924 8.0420 8.0420 8.0649 8.0649 8.3532 8.3532 8.4137 8.4137 8.9978 8.9978 9.0573 9.0573 11.4380 11.4380 15.1232 15.1232 15.1623 15.1623 15.2977 15.2977 k = 0.2500 0.1474 0.9844 ( 2748 PWs) bands (ev): -29.6994 -29.6994 -11.0486 -11.0486 -10.6937 -10.6937 -10.6550 -10.6550 -1.2616 -1.2616 1.4223 1.4223 4.7866 4.7866 4.7915 4.7915 5.9408 5.9408 6.8455 6.8455 6.9116 6.9116 7.2969 7.2969 7.4585 7.4585 7.5673 7.5673 7.5920 7.5920 8.0437 8.0437 8.0652 8.0652 8.3522 8.3522 8.4122 8.4122 8.9966 8.9966 9.0560 9.0560 11.4363 11.4363 15.1646 15.1646 15.1697 15.1697 15.2506 15.2506 k = 0.2500 0.1474 0.9844 ( 2748 PWs) bands (ev): -29.6994 -29.6994 -11.0486 -11.0486 -10.6937 -10.6937 -10.6550 -10.6550 -1.2616 -1.2616 1.4223 1.4223 4.7866 4.7866 4.7915 4.7915 5.9408 5.9408 6.8455 6.8455 6.9116 6.9116 7.2969 7.2969 7.4585 7.4585 7.5673 7.5673 7.5920 7.5920 8.0437 8.0437 8.0652 8.0652 8.3522 8.3522 8.4122 8.4122 8.9966 8.9966 9.0560 9.0560 11.4363 11.4363 15.1646 15.1646 15.1697 15.1697 15.2506 15.2506 k = 0.2632 0.1552 0.9754 ( 2754 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2617 -1.2617 1.4220 1.4220 4.7707 4.7707 4.8085 4.8085 5.9403 5.9403 6.8326 6.8326 6.9237 6.9237 7.2969 7.2969 7.4581 7.4581 7.5676 7.5676 7.5921 7.5921 8.0432 8.0432 8.0651 8.0651 8.3419 8.3419 8.4245 8.4245 8.9969 8.9969 9.0564 9.0564 11.4391 11.4391 15.0522 15.0522 15.2164 15.2164 15.3021 15.3021 k = 0.2763 0.1629 0.9664 ( 2754 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6936 -10.6936 -10.6551 -10.6551 -1.2619 -1.2619 1.4210 1.4210 4.7541 4.7541 4.8282 4.8282 5.9389 5.9389 6.8062 6.8062 6.9477 6.9477 7.2968 7.2968 7.4568 7.4568 7.5687 7.5687 7.5922 7.5922 8.0419 8.0419 8.0648 8.0648 8.3215 8.3215 8.4509 8.4509 8.9976 8.9976 9.0577 9.0577 11.4476 11.4476 14.9386 14.9386 15.1780 15.1780 15.4051 15.4051 k = 0.2895 0.1707 0.9574 ( 2754 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6936 -10.6936 -10.6550 -10.6550 -1.2621 -1.2621 1.4191 1.4191 4.7389 4.7389 4.8491 4.8491 5.9364 5.9364 6.7758 6.7758 6.9741 6.9741 7.2967 7.2967 7.4548 7.4548 7.5704 7.5704 7.5922 7.5922 8.0398 8.0398 8.0643 8.0643 8.2997 8.2997 8.4827 8.4827 8.9987 8.9987 9.0599 9.0599 11.4614 11.4614 14.8273 14.8273 15.1159 15.1159 15.4678 15.4678 k = 0.3026 0.1784 0.9484 ( 2756 PWs) bands (ev): -29.6995 -29.6995 -11.0485 -11.0485 -10.6935 -10.6935 -10.6551 -10.6551 -1.2624 -1.2624 1.4162 1.4162 4.7251 4.7251 4.8712 4.8712 5.9329 5.9329 6.7440 6.7440 7.0005 7.0005 7.2964 7.2964 7.4520 7.4520 7.5726 7.5726 7.5920 7.5920 8.0371 8.0371 8.0637 8.0637 8.2791 8.2791 8.5174 8.5174 9.0003 9.0003 9.0631 9.0631 11.4801 11.4801 14.7188 14.7188 15.0354 15.0354 15.4675 15.4675 k = 0.3158 0.1862 0.9393 ( 2762 PWs) bands (ev): -29.6995 -29.6995 -11.0485 -11.0485 -10.6934 -10.6934 -10.6551 -10.6551 -1.2626 -1.2626 1.4122 1.4122 4.7127 4.7127 4.8946 4.8946 5.9284 5.9284 6.7114 6.7114 7.0261 7.0261 7.2961 7.2961 7.4484 7.4484 7.5752 7.5752 7.5915 7.5915 8.0338 8.0338 8.0630 8.0630 8.2605 8.2605 8.5538 8.5538 9.0022 9.0022 9.0673 9.0673 11.5035 11.5035 14.6140 14.6140 14.9420 14.9420 15.4491 15.4491 k = 0.3289 0.1940 0.9303 ( 2760 PWs) bands (ev): -29.6995 -29.6995 -11.0484 -11.0484 -10.6933 -10.6933 -10.6551 -10.6551 -1.2627 -1.2627 1.4069 1.4069 4.7019 4.7019 4.9195 4.9195 5.9230 5.9230 6.6786 6.6786 7.0505 7.0505 7.2958 7.2958 7.4444 7.4444 7.5780 7.5780 7.5909 7.5909 8.0300 8.0300 8.0623 8.0623 8.2446 8.2446 8.5913 8.5913 9.0048 9.0048 9.0726 9.0726 11.5311 11.5311 14.5135 14.5135 14.8412 14.8412 15.4324 15.4324 k = 0.3421 0.2017 0.9213 ( 2762 PWs) bands (ev): -29.6995 -29.6995 -11.0483 -11.0483 -10.6932 -10.6932 -10.6551 -10.6551 -1.2628 -1.2628 1.4002 1.4002 4.6925 4.6925 4.9458 4.9458 5.9167 5.9167 6.6458 6.6458 7.0736 7.0736 7.2954 7.2954 7.4399 7.4399 7.5802 7.5802 7.5903 7.5903 8.0257 8.0257 8.0616 8.0616 8.2314 8.2314 8.6289 8.6289 9.0082 9.0082 9.0790 9.0790 11.5624 11.5624 14.4178 14.4178 14.7373 14.7373 15.4197 15.4197 k = 0.3553 0.2095 0.9123 ( 2764 PWs) bands (ev): -29.6996 -29.6996 -11.0483 -11.0483 -10.6930 -10.6930 -10.6551 -10.6551 -1.2627 -1.2627 1.3921 1.3921 4.6847 4.6847 4.9735 4.9735 5.9096 5.9096 6.6134 6.6134 7.0953 7.0953 7.2952 7.2952 7.4349 7.4349 7.5811 7.5811 7.5907 7.5907 8.0210 8.0210 8.0609 8.0609 8.2213 8.2213 8.6658 8.6658 9.0127 9.0127 9.0865 9.0865 11.5967 11.5967 14.3275 14.3275 14.6334 14.6334 15.4109 15.4109 k = 0.3684 0.2172 0.9033 ( 2762 PWs) bands (ev): -29.6996 -29.6996 -11.0481 -11.0481 -10.6929 -10.6929 -10.6551 -10.6551 -1.2625 -1.2625 1.3825 1.3825 4.6785 4.6785 5.0026 5.0026 5.9017 5.9017 6.5815 6.5815 7.1154 7.1154 7.2950 7.2950 7.4297 7.4297 7.5800 7.5800 7.5924 7.5924 8.0160 8.0160 8.0603 8.0603 8.2143 8.2143 8.7010 8.7010 9.0186 9.0186 9.0952 9.0952 11.6336 11.6336 14.2430 14.2430 14.5317 14.5317 15.4054 15.4054 k = 0.3816 0.2250 0.8943 ( 2764 PWs) bands (ev): -29.6996 -29.6996 -11.0480 -11.0480 -10.6927 -10.6927 -10.6552 -10.6552 -1.2621 -1.2621 1.3714 1.3714 4.6739 4.6739 5.0329 5.0329 5.8933 5.8933 6.5504 6.5504 7.1337 7.1337 7.2950 7.2950 7.4242 7.4242 7.5776 7.5776 7.5948 7.5948 8.0106 8.0106 8.0598 8.0598 8.2105 8.2105 8.7336 8.7336 9.0263 9.0263 9.1053 9.1053 11.6721 11.6721 14.1649 14.1649 14.4338 14.4338 15.4027 15.4027 k = 0.3947 0.2328 0.8853 ( 2764 PWs) bands (ev): -29.6997 -29.6997 -11.0479 -11.0479 -10.6924 -10.6924 -10.6552 -10.6552 -1.2616 -1.2616 1.3589 1.3589 4.6710 4.6710 5.0642 5.0642 5.8843 5.8843 6.5205 6.5205 7.1503 7.1503 7.2954 7.2954 7.4188 7.4188 7.5744 7.5744 7.5971 7.5971 8.0051 8.0051 8.0594 8.0594 8.2099 8.2099 8.7624 8.7624 9.0359 9.0359 9.1173 9.1173 11.7116 11.7116 14.0935 14.0935 14.3413 14.3413 15.4025 15.4025 k = 0.4079 0.2405 0.8763 ( 2762 PWs) bands (ev): -29.6997 -29.6997 -11.0478 -11.0478 -10.6922 -10.6922 -10.6552 -10.6552 -1.2609 -1.2609 1.3448 1.3448 4.6697 4.6697 5.0963 5.0963 5.8749 5.8749 6.4921 6.4921 7.1649 7.1649 7.2961 7.2961 7.4134 7.4134 7.5707 7.5707 7.5992 7.5992 7.9993 7.9993 8.0590 8.0590 8.2123 8.2123 8.7868 8.7868 9.0473 9.0473 9.1316 9.1316 11.7509 11.7509 14.0294 14.0294 14.2553 14.2553 15.4044 15.4044 k = 0.4211 0.2483 0.8673 ( 2764 PWs) bands (ev): -29.6997 -29.6997 -11.0476 -11.0476 -10.6919 -10.6919 -10.6553 -10.6553 -1.2601 -1.2601 1.3294 1.3294 4.6701 4.6701 5.1288 5.1288 5.8652 5.8652 6.4655 6.4655 7.1772 7.1772 7.2973 7.2973 7.4082 7.4082 7.5668 7.5668 7.6009 7.6009 7.9933 7.9933 8.0585 8.0585 8.2177 8.2177 8.8063 8.8063 9.0600 9.0600 9.1488 9.1488 11.7890 11.7890 13.9729 13.9729 14.1770 14.1770 15.4081 15.4081 k = 0.4342 0.2560 0.8583 ( 2766 PWs) bands (ev): -29.6998 -29.6998 -11.0475 -11.0475 -10.6916 -10.6916 -10.6553 -10.6553 -1.2591 -1.2591 1.3128 1.3128 4.6723 4.6723 5.1612 5.1612 5.8554 5.8554 6.4410 6.4410 7.1872 7.1872 7.2989 7.2989 7.4036 7.4036 7.5626 7.5626 7.6020 7.6020 7.9871 7.9871 8.0581 8.0581 8.2260 8.2260 8.8210 8.8210 9.0732 9.0732 9.1691 9.1691 11.8249 11.8249 13.9245 13.9245 14.1076 14.1076 15.4133 15.4133 k = 0.4474 0.2638 0.8493 ( 2768 PWs) bands (ev): -29.6998 -29.6998 -11.0473 -11.0473 -10.6913 -10.6913 -10.6554 -10.6554 -1.2581 -1.2581 1.2950 1.2950 4.6761 4.6761 5.1932 5.1932 5.8455 5.8455 6.4192 6.4192 7.1947 7.1947 7.3007 7.3007 7.3998 7.3998 7.5584 7.5584 7.6026 7.6026 7.9808 7.9808 8.0576 8.0576 8.2368 8.2368 8.8316 8.8316 9.0864 9.0864 9.1923 9.1923 11.8573 11.8573 13.8844 13.8844 14.0483 14.0483 15.4196 15.4196 k = 0.4605 0.2716 0.8403 ( 2769 PWs) bands (ev): -29.6999 -29.6999 -11.0471 -11.0471 -10.6910 -10.6910 -10.6554 -10.6554 -1.2571 -1.2571 1.2762 1.2762 4.6816 4.6816 5.2240 5.2240 5.8356 5.8356 6.4005 6.4005 7.1997 7.1997 7.3026 7.3026 7.3973 7.3973 7.5542 7.5542 7.6027 7.6027 7.9744 7.9744 8.0571 8.0571 8.2499 8.2499 8.8389 8.8389 9.0993 9.0993 9.2174 9.2174 11.8850 11.8850 13.8532 13.8532 14.0000 14.0000 15.4266 15.4266 k = 0.4737 0.2793 0.8313 ( 2773 PWs) bands (ev): -29.6999 -29.6999 -11.0470 -11.0470 -10.6907 -10.6907 -10.6555 -10.6555 -1.2560 -1.2560 1.2566 1.2566 4.6889 4.6889 5.2529 5.2529 5.8259 5.8259 6.3855 6.3855 7.2021 7.2021 7.3041 7.3041 7.3963 7.3963 7.5501 7.5501 7.6021 7.6021 7.9679 7.9679 8.0566 8.0566 8.2650 8.2650 8.8435 8.8435 9.1122 9.1122 9.2435 9.2435 11.9071 11.9071 13.8309 13.8309 13.9637 13.9637 15.4337 15.4337 k = 0.4868 0.2871 0.8223 ( 2770 PWs) bands (ev): -29.7000 -29.7000 -11.0467 -11.0467 -10.6903 -10.6903 -10.6555 -10.6555 -1.2551 -1.2551 1.2364 1.2364 4.6979 4.6979 5.2794 5.2794 5.8164 5.8164 6.3746 6.3746 7.2021 7.2021 7.3049 7.3049 7.3972 7.3972 7.5463 7.5463 7.6012 7.6012 7.9614 7.9614 8.0561 8.0561 8.2817 8.2817 8.8461 8.8461 9.1256 9.1256 9.2696 9.2696 11.9225 11.9225 13.8180 13.8180 13.9398 13.9398 15.4404 15.4404 k = 0.5000 0.2948 0.8133 ( 2774 PWs) bands (ev): -29.7000 -29.7000 -11.0465 -11.0465 -10.6899 -10.6899 -10.6556 -10.6556 -1.2542 -1.2542 1.2158 1.2158 4.7086 4.7086 5.3025 5.3025 5.8072 5.8072 6.3683 6.3683 7.1997 7.1997 7.3049 7.3049 7.3999 7.3999 7.5427 7.5427 7.5998 7.5998 7.9549 7.9549 8.0556 8.0556 8.2994 8.2994 8.8473 8.8473 9.1399 9.1399 9.2946 9.2946 11.9309 11.9309 13.8145 13.8145 13.9288 13.9288 15.4461 15.4461 k = 0.5000 0.2948 0.8133 ( 2774 PWs) bands (ev): -29.7000 -29.7000 -11.0465 -11.0465 -10.6899 -10.6899 -10.6556 -10.6556 -1.2542 -1.2542 1.2158 1.2158 4.7086 4.7086 5.3025 5.3025 5.8072 5.8072 6.3683 6.3683 7.1997 7.1997 7.3049 7.3049 7.3999 7.3999 7.5427 7.5427 7.5998 7.5998 7.9549 7.9549 8.0556 8.0556 8.2994 8.2994 8.8473 8.8473 9.1399 9.1399 9.2946 9.2946 11.9309 11.9309 13.8145 13.8145 13.9288 13.9288 15.4461 15.4461 k = 0.5000 0.2948 0.7956 ( 2772 PWs) bands (ev): -29.7002 -29.7002 -11.0461 -11.0461 -10.6891 -10.6891 -10.6557 -10.6557 -1.2529 -1.2529 1.1738 1.1738 4.7326 4.7326 5.3453 5.3453 5.7887 5.7887 6.3612 6.3612 7.1923 7.1923 7.3046 7.3046 7.4071 7.4071 7.5361 7.5361 7.5965 7.5965 7.9427 7.9427 8.0545 8.0545 8.3364 8.3364 8.8485 8.8485 9.1703 9.1703 9.3440 9.3440 11.9407 11.9407 13.8172 13.8172 13.9160 13.9160 15.4572 15.4572 k = 0.5000 0.2948 0.7779 ( 2766 PWs) bands (ev): -29.7003 -29.7003 -11.0455 -11.0455 -10.6881 -10.6881 -10.6557 -10.6557 -1.2516 -1.2516 1.1294 1.1294 4.7589 4.7589 5.3902 5.3902 5.7689 5.7689 6.3544 6.3544 7.1839 7.1839 7.3051 7.3051 7.4139 7.4139 7.5299 7.5299 7.5927 7.5927 7.9314 7.9314 8.0533 8.0533 8.3758 8.3758 8.8499 8.8499 9.2037 9.2037 9.3967 9.3967 11.9518 11.9518 13.8206 13.8206 13.8956 13.8956 15.4673 15.4673 k = 0.5000 0.2948 0.7602 ( 2766 PWs) bands (ev): -29.7004 -29.7004 -11.0450 -11.0450 -10.6871 -10.6871 -10.6558 -10.6558 -1.2506 -1.2506 1.0830 1.0830 4.7874 4.7874 5.4365 5.4365 5.7479 5.7479 6.3482 6.3482 7.1745 7.1745 7.3066 7.3066 7.4201 7.4201 7.5247 7.5247 7.5884 7.5884 7.9213 7.9213 8.0521 8.0521 8.4174 8.4174 8.8517 8.8517 9.2401 9.2401 9.4523 9.4523 11.9641 11.9641 13.8246 13.8246 13.8674 13.8674 15.4699 15.4699 k = 0.5000 0.2948 0.7425 ( 2766 PWs) bands (ev): -29.7006 -29.7006 -11.0444 -11.0444 -10.6860 -10.6860 -10.6559 -10.6559 -1.2498 -1.2498 1.0350 1.0350 4.8182 4.8182 5.4839 5.4839 5.7259 5.7259 6.3427 6.3427 7.1639 7.1639 7.3090 7.3090 7.4248 7.4248 7.5211 7.5211 7.5837 7.5837 7.9126 7.9126 8.0508 8.0508 8.4608 8.4608 8.8539 8.8539 9.2797 9.2797 9.5106 9.5106 11.9778 11.9778 13.8281 13.8281 13.8330 13.8330 15.4619 15.4619 k = 0.5000 0.2948 0.7249 ( 2770 PWs) bands (ev): -29.7007 -29.7007 -11.0438 -11.0438 -10.6849 -10.6849 -10.6560 -10.6560 -1.2494 -1.2494 0.9854 0.9854 4.8511 4.8511 5.5321 5.5321 5.7033 5.7033 6.3381 6.3381 7.1521 7.1521 7.3126 7.3126 7.4271 7.4271 7.5199 7.5199 7.5788 7.5788 7.9055 7.9055 8.0496 8.0496 8.5058 8.5058 8.8566 8.8566 9.3226 9.3226 9.5713 9.5713 11.9930 11.9930 13.7892 13.7892 13.8352 13.8352 15.4452 15.4452 k = 0.5000 0.2948 0.7072 ( 2770 PWs) bands (ev): -29.7009 -29.7009 -11.0431 -11.0431 -10.6837 -10.6837 -10.6561 -10.6561 -1.2493 -1.2493 0.9348 0.9348 4.8861 4.8861 5.5805 5.5805 5.6801 5.6801 6.3344 6.3344 7.1390 7.1390 7.3170 7.3170 7.4267 7.4267 7.5217 7.5217 7.5739 7.5739 7.8998 7.8998 8.0483 8.0483 8.5520 8.5520 8.8600 8.8600 9.3690 9.3690 9.6342 9.6342 12.0097 12.0097 13.7411 13.7411 13.8416 13.8416 15.4227 15.4227 k = 0.5000 0.2948 0.6895 ( 2762 PWs) bands (ev): -29.7011 -29.7011 -11.0424 -11.0424 -10.6823 -10.6823 -10.6562 -10.6562 -1.2498 -1.2498 0.8834 0.8834 4.9233 4.9233 5.6288 5.6288 5.6570 5.6570 6.3317 6.3317 7.1249 7.1249 7.3225 7.3225 7.4234 7.4234 7.5265 7.5265 7.5695 7.5695 7.8959 7.8959 8.0473 8.0473 8.5989 8.5989 8.8642 8.8642 9.4188 9.4188 9.6992 9.6992 12.0280 12.0280 13.6883 13.6883 13.8491 13.8491 15.3962 15.3962 k = 0.5000 0.2948 0.6718 ( 2762 PWs) bands (ev): -29.7013 -29.7013 -11.0416 -11.0416 -10.6809 -10.6809 -10.6563 -10.6563 -1.2507 -1.2507 0.8313 0.8313 4.9626 4.9626 5.6330 5.6330 5.6775 5.6775 6.3301 6.3301 7.1095 7.1095 7.3285 7.3285 7.4177 7.4177 7.5331 7.5331 7.5661 7.5661 7.8935 7.8935 8.0463 8.0463 8.6458 8.6458 8.8700 8.8700 9.4719 9.4719 9.7661 9.7661 12.0481 12.0481 13.6318 13.6318 13.8576 13.8576 15.3511 15.3525 k = 0.5000 0.2948 0.6541 ( 2768 PWs) bands (ev): -29.7015 -29.7015 -11.0409 -11.0409 -10.6795 -10.6795 -10.6563 -10.6563 -1.2522 -1.2522 0.7789 0.7789 5.0039 5.0039 5.6100 5.6100 5.7250 5.7250 6.3296 6.3296 7.0931 7.0931 7.3345 7.3345 7.4106 7.4106 7.5393 7.5393 7.5658 7.5658 7.8925 7.8925 8.0455 8.0455 8.6914 8.6914 8.8781 8.8781 9.5285 9.5285 9.8347 9.8347 12.0700 12.0700 13.5726 13.5726 13.8673 13.8673 15.2447 15.2447 k = 0.5000 0.2948 0.6365 ( 2768 PWs) bands (ev): -29.7017 -29.7017 -11.0401 -11.0401 -10.6780 -10.6780 -10.6564 -10.6564 -1.2544 -1.2544 0.7263 0.7263 5.0472 5.0472 5.5873 5.5873 5.7717 5.7717 6.3303 6.3303 7.0758 7.0758 7.3398 7.3398 7.4033 7.4033 7.5424 7.5424 7.5712 7.5712 7.8930 7.8930 8.0449 8.0449 8.7338 8.7338 8.8906 8.8906 9.5882 9.5882 9.9051 9.9051 12.0939 12.0939 13.5118 13.5118 13.8781 13.8781 15.1306 15.1306 k = 0.5000 0.2948 0.6188 ( 2764 PWs) bands (ev): -29.7019 -29.7019 -11.0392 -11.0392 -10.6764 -10.6764 -10.6564 -10.6564 -1.2572 -1.2572 0.6737 0.6737 5.0924 5.0924 5.5652 5.5652 5.8174 5.8174 6.3323 6.3323 7.0577 7.0577 7.3428 7.3428 7.3972 7.3972 7.5427 7.5427 7.5817 7.5817 7.8948 7.8948 8.0447 8.0447 8.7698 8.7698 8.9102 8.9102 9.6511 9.6511 9.9771 9.9771 12.1198 12.1198 13.4501 13.4501 13.8902 13.8902 15.0102 15.0102 k = 0.5000 0.2948 0.6011 ( 2758 PWs) bands (ev): -29.7021 -29.7021 -11.0383 -11.0383 -10.6747 -10.6747 -10.6564 -10.6564 -1.2608 -1.2608 0.6214 0.6214 5.1395 5.1395 5.5440 5.5440 5.8620 5.8620 6.3355 6.3355 7.0391 7.0391 7.3420 7.3420 7.3938 7.3938 7.5431 7.5431 7.5950 7.5950 7.8978 7.8978 8.0448 8.0448 8.7965 8.7965 8.9398 8.9398 9.7170 9.7170 10.0505 10.0505 12.1479 12.1479 13.3884 13.3884 13.9034 13.9034 14.8844 14.8844 k = 0.5000 0.2948 0.5834 ( 2750 PWs) bands (ev): -29.7023 -29.7023 -11.0374 -11.0374 -10.6730 -10.6730 -10.6564 -10.6564 -1.2651 -1.2651 0.5695 0.5695 5.1884 5.1884 5.5236 5.5236 5.9053 5.9053 6.3401 6.3401 7.0200 7.0200 7.3364 7.3364 7.3933 7.3933 7.5452 7.5452 7.6096 7.6096 7.9018 7.9018 8.0454 8.0454 8.8141 8.8141 8.9789 8.9789 9.7855 9.7855 10.1254 10.1254 12.1783 12.1783 13.3274 13.3274 13.9179 13.9179 14.7540 14.7540 k = 0.5000 0.2948 0.5657 ( 2750 PWs) bands (ev): -29.7025 -29.7025 -11.0364 -11.0364 -10.6712 -10.6712 -10.6564 -10.6564 -1.2702 -1.2702 0.5180 0.5180 5.2390 5.2390 5.5043 5.5043 5.9470 5.9470 6.3460 6.3460 7.0004 7.0004 7.3272 7.3272 7.3940 7.3940 7.5501 7.5501 7.6250 7.6250 7.9068 7.9068 8.0466 8.0466 8.8252 8.8252 9.0244 9.0244 9.8565 9.8565 10.2016 10.2016 12.2110 12.2110 13.2677 13.2677 13.9334 13.9334 14.6200 14.6200 k = 0.5000 0.2948 0.5481 ( 2746 PWs) bands (ev): -29.7027 -29.7027 -11.0355 -11.0355 -10.6694 -10.6694 -10.6564 -10.6564 -1.2760 -1.2760 0.4673 0.4673 5.2913 5.2913 5.4862 5.4862 5.9873 5.9873 6.3533 6.3533 6.9807 6.9807 7.3158 7.3158 7.3943 7.3943 7.5587 7.5587 7.6409 7.6409 7.9125 7.9125 8.0486 8.0486 8.8326 8.8326 9.0736 9.0736 9.9297 9.9297 10.2790 10.2790 12.2461 12.2461 13.2099 13.2099 13.9495 13.9495 14.4836 14.4836 k = 0.5000 0.2948 0.5304 ( 2746 PWs) bands (ev): -29.7029 -29.7029 -11.0345 -11.0345 -10.6676 -10.6676 -10.6563 -10.6563 -1.2827 -1.2827 0.4173 0.4173 5.3451 5.3451 5.4694 5.4694 6.0260 6.0260 6.3620 6.3620 6.9607 6.9607 7.3031 7.3031 7.3930 7.3930 7.5710 7.5710 7.6570 7.6570 7.9190 7.9190 8.0513 8.0513 8.8377 8.8377 9.1245 9.1245 10.0046 10.0046 10.3576 10.3576 12.2837 12.2837 13.1546 13.1546 13.9651 13.9651 14.3469 14.3469 k = 0.5000 0.2948 0.5127 ( 2750 PWs) bands (ev): -29.7032 -29.7032 -11.0336 -11.0336 -10.6658 -10.6658 -10.6562 -10.6562 -1.2901 -1.2901 0.3682 0.3682 5.3998 5.3998 5.4544 5.4544 6.0632 6.0632 6.3722 6.3722 6.9407 6.9407 7.2897 7.2897 7.3899 7.3899 7.5871 7.5871 7.6729 7.6729 7.9259 7.9259 8.0550 8.0550 8.8415 8.8415 9.1760 9.1760 10.0810 10.0810 10.4373 10.4373 12.3239 12.3239 13.1023 13.1023 13.9755 13.9755 14.2152 14.2152 k = 0.5000 0.2948 0.4950 ( 2742 PWs) bands (ev): -29.7034 -29.7034 -11.0325 -11.0325 -10.6639 -10.6639 -10.6560 -10.6560 -1.2983 -1.2983 0.3201 0.3201 5.4346 5.4346 5.4620 5.4620 6.0989 6.0989 6.3838 6.3838 6.9209 6.9209 7.2758 7.2758 7.3850 7.3850 7.6067 7.6067 7.6887 7.6887 7.9335 7.9335 8.0599 8.0599 8.8444 8.8444 9.2273 9.2273 10.1586 10.1586 10.5180 10.5180 12.3664 12.3664 13.0534 13.0534 13.9576 13.9576 14.1122 14.1122 k = 0.5000 0.2948 0.4773 ( 2742 PWs) bands (ev): -29.7036 -29.7036 -11.0315 -11.0315 -10.6621 -10.6621 -10.6558 -10.6558 -1.3072 -1.3072 0.2731 0.2731 5.4238 5.4238 5.5177 5.5177 6.1329 6.1329 6.3968 6.3968 6.9013 6.9013 7.2617 7.2617 7.3787 7.3787 7.6292 7.6292 7.7040 7.7040 7.9414 7.9414 8.0659 8.0659 8.8466 8.8466 9.2778 9.2778 10.2369 10.2369 10.5996 10.5996 12.4113 12.4113 13.0085 13.0085 13.8652 13.8652 14.0849 14.0849 k = 0.5000 0.2948 0.4597 ( 2738 PWs) bands (ev): -29.7038 -29.7038 -11.0305 -11.0305 -10.6605 -10.6605 -10.6553 -10.6553 -1.3168 -1.3168 0.2273 0.2273 5.4120 5.4120 5.5769 5.5769 6.1655 6.1655 6.4114 6.4114 6.8821 6.8821 7.2474 7.2474 7.3712 7.3712 7.6543 7.6543 7.7186 7.7186 7.9499 7.9499 8.0730 8.0730 8.8484 8.8484 9.3270 9.3270 10.3155 10.3155 10.6820 10.6820 12.4583 12.4583 12.9679 12.9679 13.7336 13.7336 14.0982 14.0982 k = 0.5000 0.2948 0.4420 ( 2746 PWs) bands (ev): -29.7041 -29.7041 -11.0295 -11.0295 -10.6591 -10.6591 -10.6546 -10.6546 -1.3271 -1.3271 0.1828 0.1828 5.4010 5.4010 5.6375 5.6375 6.1965 6.1965 6.4273 6.4273 6.8631 6.8631 7.2330 7.2330 7.3628 7.3628 7.6816 7.6816 7.7322 7.7322 7.9590 7.9590 8.0814 8.0814 8.8496 8.8496 9.3744 9.3744 10.3942 10.3942 10.7651 10.7651 12.5071 12.5071 12.9320 12.9320 13.5935 13.5935 14.1224 14.1224 k = 0.5000 0.2948 0.4243 ( 2748 PWs) bands (ev): -29.7043 -29.7043 -11.0285 -11.0285 -10.6581 -10.6581 -10.6535 -10.6535 -1.3379 -1.3379 0.1395 0.1395 5.3910 5.3910 5.6992 5.6992 6.2262 6.2262 6.4445 6.4445 6.8445 6.8445 7.2188 7.2188 7.3538 7.3538 7.7108 7.7108 7.7449 7.7449 7.9689 7.9689 8.0911 8.0911 8.8504 8.8504 9.4196 9.4196 10.4725 10.4725 10.8487 10.8487 12.5572 12.5572 12.9012 12.9012 13.4513 13.4513 14.1512 14.1512 k = 0.5000 0.2948 0.4066 ( 2752 PWs) bands (ev): -29.7045 -29.7045 -11.0275 -11.0275 -10.6575 -10.6575 -10.6520 -10.6520 -1.3493 -1.3493 0.0977 0.0977 5.3820 5.3820 5.7618 5.7618 6.2545 6.2545 6.4630 6.4630 6.8263 6.8263 7.2047 7.2047 7.3442 7.3442 7.7403 7.7403 7.7577 7.7577 7.9797 7.9797 8.1022 8.1022 8.8507 8.8507 9.4622 9.4622 10.5502 10.5502 10.9328 10.9328 12.6079 12.6079 12.8755 12.8755 13.3090 13.3090 14.1831 14.1831 k = 0.5000 0.2948 0.3889 ( 2750 PWs) bands (ev): -29.7047 -29.7047 -11.0265 -11.0265 -10.6571 -10.6571 -10.6502 -10.6502 -1.3611 -1.3611 0.0573 0.0573 5.3740 5.3740 5.8252 5.8252 6.2814 6.2814 6.4828 6.4828 6.8087 6.8087 7.1908 7.1908 7.3342 7.3342 7.7598 7.7598 7.7808 7.7808 7.9915 7.9915 8.1144 8.1144 8.8506 8.8506 9.5018 9.5018 10.6270 10.6270 11.0172 11.0172 12.6583 12.6583 12.8552 12.8552 13.1677 13.1677 14.2175 14.2175 k = 0.5000 0.2948 0.3713 ( 2742 PWs) bands (ev): -29.7050 -29.7050 -11.0255 -11.0255 -10.6567 -10.6567 -10.6483 -10.6483 -1.3733 -1.3733 0.0184 0.0184 5.3668 5.3668 5.8891 5.8891 6.3072 6.3072 6.5036 6.5036 6.7919 6.7919 7.1773 7.1773 7.3240 7.3240 7.7686 7.7686 7.8144 7.8144 8.0044 8.0044 8.1279 8.1279 8.8501 8.8501 9.5382 9.5382 10.7026 10.7026 11.1018 11.1018 12.7071 12.7071 12.8402 12.8402 13.0281 13.0281 14.2541 14.2541 k = 0.5000 0.2948 0.3536 ( 2742 PWs) bands (ev): -29.7052 -29.7052 -11.0246 -11.0246 -10.6565 -10.6565 -10.6464 -10.6464 -1.3858 -1.3858 -0.0189 -0.0189 5.3604 5.3604 5.9535 5.9535 6.3317 6.3317 6.5253 6.5253 6.7756 6.7756 7.1640 7.1640 7.3136 7.3136 7.7742 7.7742 7.8507 7.8507 8.0182 8.0182 8.1425 8.1425 8.8491 8.8491 9.5710 9.5710 10.7770 10.7770 11.1863 11.1863 12.7529 12.7529 12.8298 12.8298 12.8910 12.8910 14.2922 14.2922 k = 0.5000 0.2948 0.3359 ( 2746 PWs) bands (ev): -29.7054 -29.7054 -11.0236 -11.0236 -10.6562 -10.6562 -10.6445 -10.6445 -1.3985 -1.3985 -0.0546 -0.0546 5.3547 5.3547 6.0180 6.0180 6.3550 6.3550 6.5478 6.5478 6.7600 6.7600 7.1511 7.1511 7.3030 7.3030 7.7778 7.7778 7.8887 7.8887 8.0330 8.0330 8.1583 8.1583 8.8475 8.8475 9.5998 9.5998 10.8498 10.8498 11.2706 11.2706 12.7536 12.7536 12.7948 12.7948 12.8261 12.8261 14.3219 14.3219 k = 0.5000 0.2948 0.3182 ( 2742 PWs) bands (ev): -29.7056 -29.7056 -11.0227 -11.0227 -10.6560 -10.6560 -10.6425 -10.6425 -1.4113 -1.4113 -0.0887 -0.0887 5.3497 5.3497 6.0826 6.0826 6.3773 6.3773 6.5708 6.5708 6.7453 6.7453 7.1386 7.1386 7.2924 7.2924 7.7797 7.7797 7.9278 7.9278 8.0487 8.0487 8.1754 8.1754 8.8454 8.8454 9.6247 9.6247 10.9212 10.9212 11.3545 11.3545 12.6222 12.6222 12.8219 12.8219 12.8312 12.8312 14.2431 14.2431 k = 0.5000 0.2948 0.3005 ( 2750 PWs) bands (ev): -29.7058 -29.7058 -11.0219 -11.0219 -10.6558 -10.6558 -10.6407 -10.6407 -1.4241 -1.4241 -0.1212 -0.1212 5.3451 5.3451 6.1468 6.1468 6.3985 6.3985 6.5941 6.5941 6.7312 6.7312 7.1266 7.1266 7.2818 7.2818 7.7798 7.7798 7.9677 7.9677 8.0652 8.0652 8.1937 8.1937 8.8426 8.8426 9.6454 9.6454 10.9910 10.9910 11.4375 11.4375 12.4933 12.4933 12.8238 12.8238 12.8563 12.8563 14.1455 14.1455 k = 0.5000 0.2948 0.2829 ( 2752 PWs) bands (ev): -29.7060 -29.7060 -11.0210 -11.0210 -10.6556 -10.6556 -10.6389 -10.6389 -1.4368 -1.4368 -0.1519 -0.1519 5.3412 5.3412 6.2106 6.2106 6.4186 6.4186 6.6175 6.6175 6.7183 6.7183 7.1151 7.1151 7.2713 7.2713 7.7786 7.7786 8.0076 8.0076 8.0829 8.0829 8.2133 8.2133 8.8390 8.8390 9.6620 9.6620 11.0593 11.0593 11.5196 11.5196 12.3682 12.3682 12.8250 12.8250 12.8727 12.8727 14.0550 14.0550 k = 0.5000 0.2948 0.2652 ( 2758 PWs) bands (ev): -29.7061 -29.7061 -11.0202 -11.0202 -10.6554 -10.6554 -10.6371 -10.6371 -1.4493 -1.4493 -0.1809 -0.1809 5.3376 5.3376 6.2735 6.2735 6.4377 6.4377 6.6402 6.6402 6.7069 6.7069 7.1042 7.1042 7.2610 7.2610 7.7761 7.7761 8.0459 8.0459 8.1026 8.1026 8.2344 8.2344 8.8347 8.8347 9.6744 9.6744 11.1261 11.1261 11.6004 11.6004 12.2471 12.2471 12.8243 12.8243 12.8783 12.8783 13.9763 13.9763 k = 0.5000 0.2948 0.2475 ( 2750 PWs) bands (ev): -29.7063 -29.7063 -11.0194 -11.0194 -10.6552 -10.6552 -10.6353 -10.6353 -1.4616 -1.4616 -0.2081 -0.2081 5.3345 5.3345 6.3352 6.3352 6.4559 6.4559 6.6603 6.6603 6.6987 6.6987 7.0938 7.0938 7.2510 7.2510 7.7725 7.7725 8.0792 8.0792 8.1276 8.1276 8.2572 8.2572 8.8297 8.8297 9.6829 9.6829 11.1914 11.1914 11.6793 11.6793 12.1307 12.1307 12.8187 12.8187 12.8730 12.8730 13.9134 13.9134 k = 0.5000 0.2948 0.2298 ( 2746 PWs) bands (ev): -29.7065 -29.7065 -11.0187 -11.0187 -10.6550 -10.6550 -10.6336 -10.6336 -1.4734 -1.4734 -0.2336 -0.2336 5.3318 5.3318 6.3950 6.3950 6.4734 6.4734 6.6698 6.6698 6.7017 6.7017 7.0841 7.0841 7.2412 7.2412 7.7679 7.7679 8.1041 8.1041 8.1605 8.1605 8.2816 8.2816 8.8236 8.8236 9.6876 9.6876 11.2553 11.2553 11.7559 11.7559 12.0197 12.0197 12.8056 12.8056 12.8571 12.8571 13.8698 13.8698 k = 0.5000 0.2948 0.2122 ( 2748 PWs) bands (ev): -29.7066 -29.7066 -11.0180 -11.0180 -10.6548 -10.6548 -10.6321 -10.6321 -1.4848 -1.4848 -0.2572 -0.2572 5.3293 5.3293 6.4514 6.4514 6.4914 6.4914 6.6659 6.6659 6.7184 6.7184 7.0750 7.0750 7.2318 7.2318 7.7624 7.7624 8.1224 8.1224 8.1987 8.1987 8.3078 8.3078 8.8164 8.8164 9.6888 9.6888 11.3179 11.3179 11.8271 11.8271 11.9170 11.9170 12.7830 12.7830 12.8318 12.8318 13.8481 13.8481 k = 0.5000 0.2948 0.1945 ( 2746 PWs) bands (ev): -29.7068 -29.7068 -11.0173 -11.0173 -10.6546 -10.6546 -10.6306 -10.6306 -1.4957 -1.4957 -0.2790 -0.2790 5.3272 5.3272 6.4931 6.4931 6.5207 6.5207 6.6589 6.6589 6.7385 6.7385 7.0666 7.0666 7.2228 7.2228 7.7563 7.7563 8.1373 8.1373 8.2386 8.2386 8.3360 8.3360 8.8080 8.8080 9.6869 9.6869 11.3792 11.3792 11.8069 11.8069 11.9087 11.9087 12.7506 12.7506 12.7984 12.7984 13.8490 13.8490 k = 0.5000 0.2948 0.1768 ( 2756 PWs) bands (ev): -29.7069 -29.7069 -11.0168 -11.0168 -10.6545 -10.6545 -10.6293 -10.6293 -1.5059 -1.5059 -0.2990 -0.2990 5.3252 5.3252 6.5113 6.5113 6.5693 6.5693 6.6521 6.6521 6.7585 6.7585 7.0589 7.0589 7.2143 7.2143 7.7494 7.7494 8.1500 8.1500 8.2780 8.2780 8.3662 8.3662 8.7984 8.7984 9.6821 9.6821 11.4390 11.4390 11.7160 11.7160 11.9743 11.9743 12.7099 12.7099 12.7585 12.7585 13.8713 13.8713 k = 0.5000 0.2948 0.1591 ( 2752 PWs) bands (ev): -29.7070 -29.7070 -11.0162 -11.0162 -10.6543 -10.6543 -10.6280 -10.6280 -1.5154 -1.5154 -0.3171 -0.3171 5.3236 5.3236 6.5240 6.5240 6.6184 6.6184 6.6466 6.6466 6.7776 6.7776 7.0520 7.0520 7.2066 7.2066 7.7423 7.7423 8.1614 8.1614 8.3160 8.3160 8.3983 8.3983 8.7874 8.7874 9.6751 9.6751 11.4966 11.4966 11.6309 11.6309 12.0381 12.0381 12.6634 12.6634 12.7136 12.7136 13.9126 13.9126 k = 0.5000 0.2948 0.1414 ( 2756 PWs) bands (ev): -29.7071 -29.7071 -11.0157 -11.0157 -10.6542 -10.6542 -10.6268 -10.6268 -1.5241 -1.5241 -0.3334 -0.3334 5.3221 5.3221 6.5344 6.5344 6.6399 6.6399 6.6670 6.6670 6.7954 6.7954 7.0458 7.0458 7.1994 7.1994 7.7348 7.7348 8.1714 8.1714 8.3520 8.3520 8.4317 8.4317 8.7750 8.7750 9.6662 9.6662 11.5325 11.5325 11.5732 11.5732 12.0977 12.0977 12.6139 12.6139 12.6653 12.6653 13.9696 13.9696 k = 0.5000 0.2948 0.1238 ( 2764 PWs) bands (ev): -29.7072 -29.7072 -11.0153 -11.0153 -10.6541 -10.6541 -10.6258 -10.6258 -1.5320 -1.5320 -0.3477 -0.3477 5.3208 5.3208 6.5429 6.5429 6.6368 6.6368 6.7090 6.7090 6.8117 6.8117 7.0405 7.0405 7.1929 7.1929 7.7272 7.7272 8.1801 8.1801 8.3861 8.3861 8.4655 8.4655 8.7612 8.7612 9.6560 9.6560 11.4734 11.4734 11.6167 11.6167 12.1521 12.1521 12.5640 12.5640 12.6152 12.6152 14.0390 14.0390 k = 0.5000 0.2948 0.1061 ( 2768 PWs) bands (ev): -29.7073 -29.7073 -11.0149 -11.0149 -10.6540 -10.6540 -10.6249 -10.6249 -1.5389 -1.5389 -0.3602 -0.3602 5.3198 5.3198 6.5495 6.5495 6.6346 6.6346 6.7468 6.7468 6.8266 6.8266 7.0361 7.0361 7.1874 7.1874 7.7199 7.7199 8.1877 8.1877 8.4185 8.4185 8.4986 8.4986 8.7458 8.7458 9.6451 9.6451 11.4109 11.4109 11.6700 11.6700 12.2008 12.2008 12.5161 12.5161 12.5650 12.5650 14.1170 14.1170 k = 0.5000 0.2948 0.0884 ( 2772 PWs) bands (ev): -29.7074 -29.7074 -11.0146 -11.0146 -10.6539 -10.6539 -10.6241 -10.6241 -1.5448 -1.5448 -0.3708 -0.3708 5.3189 5.3189 6.5543 6.5543 6.6335 6.6335 6.7790 6.7790 6.8401 6.8401 7.0325 7.0325 7.1827 7.1827 7.7129 7.7129 8.1941 8.1941 8.4492 8.4492 8.5296 8.5296 8.7290 8.7290 9.6343 9.6343 11.3565 11.3565 11.7217 11.7217 12.2430 12.2430 12.4717 12.4717 12.5166 12.5166 14.1993 14.1993 k = 0.5000 0.2948 0.0707 ( 2768 PWs) bands (ev): -29.7074 -29.7074 -11.0143 -11.0143 -10.6538 -10.6538 -10.6235 -10.6235 -1.5498 -1.5498 -0.3794 -0.3794 5.3183 5.3183 6.5576 6.5576 6.6334 6.6334 6.8049 6.8049 6.8523 6.8523 7.0300 7.0300 7.1790 7.1790 7.7067 7.7067 8.1993 8.1993 8.4782 8.4782 8.5575 8.5575 8.7109 8.7109 9.6241 9.6241 11.3111 11.3111 11.7701 11.7701 12.2779 12.2779 12.4317 12.4317 12.4726 12.4726 14.2799 14.2799 k = 0.5000 0.2948 0.0530 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0141 -11.0141 -10.6537 -10.6537 -10.6229 -10.6229 -1.5536 -1.5536 -0.3862 -0.3862 5.3178 5.3178 6.5597 6.5597 6.6340 6.6340 6.8238 6.8238 6.8632 6.8632 7.0282 7.0282 7.1761 7.1761 7.7015 7.7015 8.2033 8.2033 8.5049 8.5049 8.5815 8.5815 8.6919 8.6919 9.6152 9.6152 11.2753 11.2753 11.8134 11.8134 12.3048 12.3048 12.3961 12.3961 12.4364 12.4364 14.3502 14.3502 k = 0.5000 0.2948 0.0354 ( 2768 PWs) bands (ev): -29.7075 -29.7075 -11.0140 -11.0140 -10.6537 -10.6537 -10.6226 -10.6226 -1.5564 -1.5564 -0.3910 -0.3910 5.3174 5.3174 6.5608 6.5608 6.6346 6.6346 6.8362 6.8362 6.8723 6.8723 7.0272 7.0272 7.1741 7.1741 7.6975 7.6975 8.2061 8.2061 8.5280 8.5280 8.6014 8.6014 8.6721 8.6721 9.6083 9.6083 11.2495 11.2495 11.8487 11.8487 12.3222 12.3222 12.3667 12.3667 12.4114 12.4114 14.4012 14.4012 k = 0.5000 0.2948 0.0177 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0139 -11.0139 -10.6536 -10.6536 -10.6224 -10.6224 -1.5581 -1.5581 -0.3939 -0.3939 5.3172 5.3172 6.5615 6.5615 6.6352 6.6352 6.8429 6.8429 6.8784 6.8784 7.0267 7.0267 7.1730 7.1730 7.6950 7.6950 8.2079 8.2079 8.5448 8.5448 8.6184 8.6184 8.6528 8.6528 9.6039 9.6039 11.2339 11.2339 11.8725 11.8725 12.3283 12.3283 12.3490 12.3490 12.3981 12.3981 14.4298 14.4298 k = 0.5000 0.2948-0.0000 ( 2764 PWs) bands (ev): -29.7075 -29.7075 -11.0139 -11.0139 -10.6536 -10.6536 -10.6223 -10.6223 -1.5587 -1.5587 -0.3948 -0.3948 5.3171 5.3171 6.5616 6.5616 6.6354 6.6354 6.8451 6.8451 6.8806 6.8806 7.0265 7.0265 7.1726 7.1726 7.6942 7.6942 8.2084 8.2084 8.5512 8.5512 8.6344 8.6344 8.6352 8.6352 9.6024 9.6024 11.2286 11.2286 11.8810 11.8810 12.3269 12.3269 12.3453 12.3453 12.3943 12.3943 14.4386 14.4386 k = 0.0000 0.0000 0.9844 ( 2780 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6938 -10.6938 -10.6551 -10.6551 -1.2637 -1.2637 1.4325 1.4325 4.5979 4.5979 5.0753 5.0753 5.8950 5.8950 6.4174 6.4174 7.2349 7.2349 7.3192 7.3192 7.3597 7.3597 7.5899 7.5899 7.6014 7.6014 8.0335 8.0335 8.0582 8.0582 8.1302 8.1302 8.8445 8.8445 8.9714 8.9714 9.0647 9.0647 11.8886 11.8886 13.8058 13.8058 13.8860 13.8860 15.4844 15.4844 k = 0.0147 0.0087 0.9844 ( 2772 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6938 -10.6938 -10.6551 -10.6551 -1.2637 -1.2637 1.4324 1.4324 4.5986 4.5986 5.0736 5.0736 5.8954 5.8954 6.4199 6.4199 7.2333 7.2333 7.3179 7.3179 7.3618 7.3618 7.5900 7.5900 7.6012 7.6012 8.0337 8.0337 8.0583 8.0583 8.1308 8.1308 8.8416 8.8416 8.9721 8.9721 9.0646 9.0646 11.8834 11.8834 13.8116 13.8116 13.8957 13.8957 15.4847 15.4847 k = 0.0294 0.0173 0.9844 ( 2774 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6938 -10.6938 -10.6551 -10.6551 -1.2637 -1.2637 1.4321 1.4321 4.6007 4.6007 5.0687 5.0687 5.8965 5.8965 6.4271 6.4271 7.2284 7.2284 7.3148 7.3148 7.3672 7.3672 7.5900 7.5900 7.6005 7.6005 8.0342 8.0342 8.0586 8.0586 8.1328 8.1328 8.8329 8.8329 8.9738 8.9738 9.0642 9.0642 11.8684 11.8684 13.8289 13.8289 13.9245 13.9245 15.4854 15.4854 k = 0.0441 0.0260 0.9844 ( 2774 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6938 -10.6938 -10.6551 -10.6551 -1.2636 -1.2636 1.4317 1.4317 4.6043 4.6043 5.0608 5.0608 5.8984 5.8984 6.4390 6.4390 7.2203 7.2203 7.3113 7.3113 7.3746 7.3746 7.5900 7.5900 7.5994 7.5994 8.0349 8.0349 8.0590 8.0590 8.1361 8.1361 8.8191 8.8191 8.9762 8.9762 9.0636 9.0636 11.8445 11.8445 13.8574 13.8574 13.9713 13.9713 15.4866 15.4866 k = 0.0588 0.0347 0.9844 ( 2758 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2635 -1.2635 1.4311 1.4311 4.6092 4.6092 5.0500 5.0500 5.9009 5.9009 6.4553 6.4553 7.2093 7.2093 7.3082 7.3082 7.3828 7.3828 7.5901 7.5901 7.5980 7.5980 8.0360 8.0360 8.0596 8.0596 8.1410 8.1410 8.8008 8.8008 8.9791 8.9791 9.0630 9.0630 11.8135 11.8135 13.8971 13.8971 14.0344 14.0344 15.4884 15.4884 k = 0.0735 0.0434 0.9844 ( 2764 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2633 -1.2633 1.4304 1.4304 4.6155 4.6155 5.0366 5.0366 5.9040 5.9040 6.4755 6.4755 7.1955 7.1955 7.3056 7.3056 7.3913 7.3913 7.5899 7.5899 7.5962 7.5962 8.0369 8.0369 8.0603 8.0603 8.1473 8.1473 8.7784 8.7784 8.9819 8.9819 9.0622 9.0622 11.7770 11.7770 13.9474 13.9474 14.1118 14.1118 15.4906 15.4906 k = 0.0882 0.0520 0.9844 ( 2764 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2632 -1.2632 1.4296 1.4296 4.6232 4.6232 5.0209 5.0209 5.9076 5.9076 6.4994 6.4994 7.1794 7.1794 7.3036 7.3036 7.3999 7.3999 7.5897 7.5897 7.5942 7.5942 8.0380 8.0380 8.0610 8.0610 8.1555 8.1555 8.7527 8.7527 8.9845 8.9845 9.0614 9.0614 11.7371 11.7371 14.0079 14.0079 14.2015 14.2015 15.4934 15.4934 k = 0.1029 0.0607 0.9844 ( 2764 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2630 -1.2630 1.4288 1.4288 4.6323 4.6323 5.0033 5.0033 5.9115 5.9115 6.5265 6.5265 7.1611 7.1611 7.3020 7.3020 7.4082 7.4082 7.5889 7.5889 7.5925 7.5925 8.0389 8.0389 8.0617 8.0617 8.1655 8.1655 8.7240 8.7240 8.9869 8.9869 9.0605 9.0605 11.6956 11.6956 14.0782 14.0782 14.3015 14.3015 15.4967 15.4967 k = 0.1176 0.0694 0.9844 ( 2768 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6937 -10.6937 -10.6551 -10.6551 -1.2628 -1.2628 1.4278 1.4278 4.6427 4.6427 4.9842 4.9842 5.9156 5.9156 6.5562 6.5562 7.1408 7.1408 7.3007 7.3007 7.4163 7.4163 7.5870 7.5870 7.5917 7.5917 8.0398 8.0398 8.0624 8.0624 8.1774 8.1774 8.6930 8.6930 8.9889 8.9889 9.0597 9.0597 11.6538 11.6538 14.1576 14.1576 14.4098 14.4098 15.5008 15.5008 k = 0.1324 0.0780 0.9844 ( 2768 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6937 -10.6937 -10.6551 -10.6551 -1.2626 -1.2626 1.4269 1.4269 4.6543 4.6543 4.9638 4.9638 5.9198 5.9198 6.5881 6.5881 7.1186 7.1186 7.2998 7.2998 7.4239 7.4239 7.5844 7.5844 7.5915 7.5915 8.0406 8.0406 8.0630 8.0630 8.1915 8.1915 8.6602 8.6602 8.9907 8.9907 9.0589 9.0589 11.6134 11.6134 14.2456 14.2456 14.5245 14.5245 15.5057 15.5057 k = 0.1471 0.0867 0.9844 ( 2770 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6937 -10.6937 -10.6551 -10.6551 -1.2624 -1.2624 1.4260 1.4260 4.6673 4.6673 4.9424 4.9424 5.9240 5.9240 6.6218 6.6218 7.0948 7.0948 7.2991 7.2991 7.4310 7.4310 7.5815 7.5815 7.5914 7.5914 8.0413 8.0413 8.0635 8.0635 8.2076 8.2076 8.6260 8.6260 8.9922 8.9922 9.0582 9.0582 11.5752 11.5752 14.3414 14.3414 14.6436 14.6436 15.5118 15.5118 k = 0.1618 0.0954 0.9844 ( 2770 PWs) bands (ev): -29.6995 -29.6995 -11.0487 -11.0487 -10.6937 -10.6937 -10.6551 -10.6551 -1.2622 -1.2622 1.4251 1.4251 4.6815 4.6815 4.9205 4.9205 5.9279 5.9279 6.6568 6.6568 7.0692 7.0692 7.2984 7.2984 7.4376 7.4376 7.5785 7.5785 7.5915 7.5915 8.0419 8.0419 8.0639 8.0639 8.2257 8.2257 8.5911 8.5911 8.9934 8.9934 9.0576 9.0576 11.5405 11.5405 14.4443 14.4443 14.7648 14.7648 15.5197 15.5197 k = 0.1765 0.1041 0.9844 ( 2766 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2621 -1.2621 1.4243 1.4243 4.6969 4.6969 4.8982 4.8982 5.9316 5.9316 6.6926 6.6926 7.0422 7.0422 7.2979 7.2979 7.4436 7.4436 7.5755 7.5755 7.5916 7.5916 8.0424 8.0424 8.0643 8.0643 8.2459 8.2459 8.5559 8.5559 8.9945 8.9945 9.0571 9.0571 11.5099 11.5099 14.5537 14.5537 14.8850 14.8850 15.5305 15.5305 k = 0.1912 0.1127 0.9844 ( 2762 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2619 -1.2619 1.4236 1.4236 4.7134 4.7134 4.8758 4.8758 5.9347 5.9347 6.7287 6.7287 7.0137 7.0137 7.2975 7.2975 7.4487 7.4487 7.5728 7.5728 7.5918 7.5918 8.0429 8.0429 8.0646 8.0646 8.2679 8.2679 8.5209 8.5209 8.9953 8.9953 9.0567 9.0567 11.4840 11.4840 14.6688 14.6688 14.9997 14.9997 15.5460 15.5460 k = 0.2059 0.1214 0.9844 ( 2754 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6550 -10.6550 -1.2618 -1.2618 1.4231 1.4231 4.7309 4.7309 4.8535 4.8535 5.9373 5.9373 6.7645 6.7645 6.9842 6.9842 7.2973 7.2973 7.4529 7.4529 7.5706 7.5706 7.5919 7.5919 8.0433 8.0433 8.0649 8.0649 8.2916 8.2916 8.4868 8.4868 8.9959 8.9959 9.0564 9.0564 11.4634 11.4634 14.7887 14.7887 15.1022 15.1022 15.5449 15.5449 k = 0.2206 0.1301 0.9844 ( 2756 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2617 -1.2617 1.4227 1.4227 4.7495 4.7495 4.8314 4.8314 5.9392 5.9392 6.7990 6.7990 6.9543 6.9543 7.2971 7.2971 7.4560 7.4560 7.5688 7.5688 7.5919 7.5919 8.0435 8.0435 8.0650 8.0650 8.3162 8.3162 8.4545 8.4545 8.9963 8.9963 9.0562 9.0562 11.4484 11.4484 14.9124 14.9124 15.1831 15.1831 15.4227 15.4227 k = 0.2353 0.1387 0.9844 ( 2756 PWs) bands (ev): -29.6995 -29.6995 -11.0486 -11.0486 -10.6937 -10.6937 -10.6551 -10.6551 -1.2617 -1.2617 1.4224 1.4224 4.7689 4.7689 4.8099 4.8099 5.9404 5.9404 6.8297 6.8297 6.9264 6.9264 7.2970 7.2970 7.4579 7.4579 7.5676 7.5676 7.5920 7.5920 8.0436 8.0436 8.0651 8.0651 8.3397 8.3397 8.4263 8.4263 8.9966 8.9966 9.0560 9.0560 11.4393 11.4393 15.0390 15.0390 15.2337 15.2337 15.2956 15.2956 k = 0.2500 0.1474 0.9844 ( 2748 PWs) bands (ev): -29.6994 -29.6994 -11.0486 -11.0486 -10.6937 -10.6937 -10.6550 -10.6550 -1.2616 -1.2616 1.4223 1.4223 4.7866 4.7866 4.7915 4.7915 5.9408 5.9408 6.8455 6.8455 6.9116 6.9116 7.2969 7.2969 7.4585 7.4585 7.5673 7.5673 7.5920 7.5920 8.0437 8.0437 8.0652 8.0652 8.3522 8.3522 8.4122 8.4122 8.9966 8.9966 9.0560 9.0560 11.4363 11.4363 15.1646 15.1646 15.1697 15.1697 15.2506 15.2506 Writing output data file CaxCuPx2.save init_run : 0.36s CPU 1.78s WALL ( 1 calls) electrons : 283.59s CPU 288.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 283.58s CPU 288.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 362 calls) cegterg : 265.90s CPU 269.22s WALL ( 1009 calls) Called by sum_band: Called by *egterg: h_psi : 155.57s CPU 157.49s WALL ( 17385 calls) s_psi : 9.14s CPU 9.39s WALL ( 17385 calls) g_psi : 0.20s CPU 0.24s WALL ( 16014 calls) cdiaghg : 96.48s CPU 97.67s WALL ( 16376 calls) cegterg:over : 6.48s CPU 6.70s WALL ( 16014 calls) cegterg:upda : 5.24s CPU 5.45s WALL ( 16014 calls) cegterg:last : 2.94s CPU 2.94s WALL ( 2092 calls) cdiaghg:chol : 5.30s CPU 5.17s WALL ( 16376 calls) cdiaghg:inve : 3.33s CPU 3.47s WALL ( 16376 calls) cdiaghg:para : 5.46s CPU 5.47s WALL ( 32752 calls) Called by h_psi: h_psi:vloc : 136.42s CPU 138.04s WALL ( 17385 calls) h_psi:vnl : 18.96s CPU 19.21s WALL ( 17385 calls) add_vuspsi : 10.59s CPU 10.67s WALL ( 17385 calls) General routines calbec : 8.32s CPU 8.49s WALL ( 17385 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 128.36s CPU 129.74s WALL ( 1216604 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.40s WALL ( 724 calls) Parallel routines fft_scatter : 41.57s CPU 41.82s WALL ( 1216627 calls) PWSCF : 4m58.83s CPU 5m33.48s WALL This run was terminated on: 16:47:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=