Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:24:41 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: ./Zr5Al3.save/ 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 66 66 18 2947 2947 431 Max 67 67 19 2950 2950 434 Sum 2389 2389 667 106151 106151 15553 bravais-lattice index = 14 lattice parameter (alat) = 15.6196 a.u. unit-cell volume = 2222.7182 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.619635 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.106547 celldm(5)= -0.106547 celldm(6)= -0.786907 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.786907 0.617072 0.000000 ) a(3) = ( -0.106547 -0.308536 0.945227 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.275227 0.528974 ) b(2) = ( 0.000000 1.620556 0.528974 ) b(3) = ( 0.000000 0.000000 1.057947 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.1065467 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.3085360 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.1065467 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.3085360 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 223 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 2) = ( 0.0000000 0.0000000 0.0251892), wk = 0.0044843 k( 3) = ( 0.0000000 0.0000000 0.0503784), wk = 0.0044843 k( 4) = ( 0.0000000 0.0000000 0.0755677), wk = 0.0044843 k( 5) = ( 0.0000000 0.0000000 0.1007569), wk = 0.0044843 k( 6) = ( 0.0000000 0.0000000 0.1259461), wk = 0.0044843 k( 7) = ( 0.0000000 0.0000000 0.1511353), wk = 0.0044843 k( 8) = ( 0.0000000 0.0000000 0.1763246), wk = 0.0044843 k( 9) = ( 0.0000000 0.0000000 0.2015138), wk = 0.0044843 k( 10) = ( 0.0000000 0.0000000 0.2267030), wk = 0.0044843 k( 11) = ( 0.0000000 0.0000000 0.2518922), wk = 0.0044843 k( 12) = ( 0.0000000 0.0000000 0.2770815), wk = 0.0044843 k( 13) = ( 0.0000000 0.0000000 0.3022707), wk = 0.0044843 k( 14) = ( 0.0000000 0.0000000 0.3274599), wk = 0.0044843 k( 15) = ( 0.0000000 0.0000000 0.3526491), wk = 0.0044843 k( 16) = ( 0.0000000 0.0000000 0.3778383), wk = 0.0044843 k( 17) = ( 0.0000000 0.0000000 0.4030276), wk = 0.0044843 k( 18) = ( 0.0000000 0.0000000 0.4282168), wk = 0.0044843 k( 19) = ( 0.0000000 0.0000000 0.4534060), wk = 0.0044843 k( 20) = ( 0.0000000 0.0000000 0.4785952), wk = 0.0044843 k( 21) = ( 0.0000000 0.0000000 0.5037845), wk = 0.0044843 k( 22) = ( 0.0000000 0.0000000 0.5289737), wk = 0.0044843 k( 23) = ( 0.0000000 0.0000000 0.5289737), wk = 0.0044843 k( 24) = ( -0.0238095 0.0082221 0.5289737), wk = 0.0044843 k( 25) = ( -0.0476191 0.0164443 0.5289737), wk = 0.0044843 k( 26) = ( -0.0714286 0.0246664 0.5289737), wk = 0.0044843 k( 27) = ( -0.0952381 0.0328885 0.5289737), wk = 0.0044843 k( 28) = ( -0.1190476 0.0411107 0.5289737), wk = 0.0044843 k( 29) = ( -0.1428571 0.0493328 0.5289737), wk = 0.0044843 k( 30) = ( -0.1666667 0.0575550 0.5289737), wk = 0.0044843 k( 31) = ( -0.1904762 0.0657771 0.5289737), wk = 0.0044843 k( 32) = ( -0.2142857 0.0739992 0.5289737), wk = 0.0044843 k( 33) = ( -0.2380952 0.0822214 0.5289737), wk = 0.0044843 k( 34) = ( -0.2619048 0.0904435 0.5289737), wk = 0.0044843 k( 35) = ( -0.2857143 0.0986656 0.5289737), wk = 0.0044843 k( 36) = ( -0.3095238 0.1068878 0.5289737), wk = 0.0044843 k( 37) = ( -0.3333333 0.1151099 0.5289737), wk = 0.0044843 k( 38) = ( -0.3571429 0.1233320 0.5289737), wk = 0.0044843 k( 39) = ( -0.3809524 0.1315542 0.5289737), wk = 0.0044843 k( 40) = ( -0.4047619 0.1397763 0.5289737), wk = 0.0044843 k( 41) = ( -0.4285714 0.1479985 0.5289737), wk = 0.0044843 k( 42) = ( -0.4523810 0.1562206 0.5289737), wk = 0.0044843 k( 43) = ( -0.4761905 0.1644427 0.5289737), wk = 0.0044843 k( 44) = ( -0.5000000 0.1726649 0.5289737), wk = 0.0044843 k( 45) = ( -0.5000000 0.1726649 0.5289737), wk = 0.0044843 k( 46) = ( -0.4827586 0.1667109 0.5107332), wk = 0.0044843 k( 47) = ( -0.4655172 0.1607569 0.4924927), wk = 0.0044843 k( 48) = ( -0.4482759 0.1548030 0.4742523), wk = 0.0044843 k( 49) = ( -0.4310345 0.1488490 0.4560118), wk = 0.0044843 k( 50) = ( -0.4137931 0.1428951 0.4377713), wk = 0.0044843 k( 51) = ( -0.3965517 0.1369411 0.4195308), wk = 0.0044843 k( 52) = ( -0.3793103 0.1309871 0.4012904), wk = 0.0044843 k( 53) = ( -0.3620690 0.1250332 0.3830499), wk = 0.0044843 k( 54) = ( -0.3448276 0.1190792 0.3648094), wk = 0.0044843 k( 55) = ( -0.3275862 0.1131253 0.3465690), wk = 0.0044843 k( 56) = ( -0.3103448 0.1071713 0.3283285), wk = 0.0044843 k( 57) = ( -0.2931034 0.1012173 0.3100880), wk = 0.0044843 k( 58) = ( -0.2758621 0.0952634 0.2918475), wk = 0.0044843 k( 59) = ( -0.2586207 0.0893094 0.2736071), wk = 0.0044843 k( 60) = ( -0.2413793 0.0833555 0.2553666), wk = 0.0044843 k( 61) = ( -0.2241379 0.0774015 0.2371261), wk = 0.0044843 k( 62) = ( -0.2068966 0.0714475 0.2188857), wk = 0.0044843 k( 63) = ( -0.1896552 0.0654936 0.2006452), wk = 0.0044843 k( 64) = ( -0.1724138 0.0595396 0.1824047), wk = 0.0044843 k( 65) = ( -0.1551724 0.0535856 0.1641642), wk = 0.0044843 k( 66) = ( -0.1379310 0.0476317 0.1459238), wk = 0.0044843 k( 67) = ( -0.1206897 0.0416777 0.1276833), wk = 0.0044843 k( 68) = ( -0.1034483 0.0357238 0.1094428), wk = 0.0044843 k( 69) = ( -0.0862069 0.0297698 0.0912024), wk = 0.0044843 k( 70) = ( -0.0689655 0.0238158 0.0729619), wk = 0.0044843 k( 71) = ( -0.0517241 0.0178619 0.0547214), wk = 0.0044843 k( 72) = ( -0.0344828 0.0119079 0.0364809), wk = 0.0044843 k( 73) = ( -0.0172414 0.0059540 0.0182405), wk = 0.0044843 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 76) = ( 0.0083683 0.0242327 -0.0000000), wk = 0.0044843 k( 77) = ( 0.0167366 0.0484654 -0.0000000), wk = 0.0044843 k( 78) = ( 0.0251048 0.0726982 -0.0000000), wk = 0.0044843 k( 79) = ( 0.0334731 0.0969309 -0.0000000), wk = 0.0044843 k( 80) = ( 0.0418414 0.1211636 -0.0000000), wk = 0.0044843 k( 81) = ( 0.0502097 0.1453963 -0.0000000), wk = 0.0044843 k( 82) = ( 0.0585779 0.1696290 -0.0000000), wk = 0.0044843 k( 83) = ( 0.0669462 0.1938618 -0.0000000), wk = 0.0044843 k( 84) = ( 0.0753145 0.2180945 -0.0000000), wk = 0.0044843 k( 85) = ( 0.0836828 0.2423272 -0.0000000), wk = 0.0044843 k( 86) = ( 0.0920511 0.2665599 -0.0000000), wk = 0.0044843 k( 87) = ( 0.1004193 0.2907926 -0.0000000), wk = 0.0044843 k( 88) = ( 0.1087876 0.3150254 -0.0000000), wk = 0.0044843 k( 89) = ( 0.1171559 0.3392581 -0.0000000), wk = 0.0044843 k( 90) = ( 0.1255242 0.3634908 -0.0000000), wk = 0.0044843 k( 91) = ( 0.1338925 0.3877235 -0.0000000), wk = 0.0044843 k( 92) = ( 0.1422607 0.4119562 -0.0000000), wk = 0.0044843 k( 93) = ( 0.1506290 0.4361890 -0.0000000), wk = 0.0044843 k( 94) = ( 0.1589973 0.4604217 -0.0000000), wk = 0.0044843 k( 95) = ( 0.1673656 0.4846544 -0.0000000), wk = 0.0044843 k( 96) = ( 0.1757338 0.5088871 -0.0000000), wk = 0.0044843 k( 97) = ( 0.1841021 0.5331198 -0.0000000), wk = 0.0044843 k( 98) = ( 0.1924704 0.5573526 -0.0000000), wk = 0.0044843 k( 99) = ( 0.2008387 0.5815853 -0.0000000), wk = 0.0044843 k( 100) = ( 0.2092070 0.6058180 -0.0000000), wk = 0.0044843 k( 101) = ( 0.2175752 0.6300507 -0.0000000), wk = 0.0044843 k( 102) = ( 0.2259435 0.6542834 -0.0000000), wk = 0.0044843 k( 103) = ( 0.2343118 0.6785162 -0.0000000), wk = 0.0044843 k( 104) = ( 0.2426801 0.7027489 -0.0000000), wk = 0.0044843 k( 105) = ( 0.2510484 0.7269816 -0.0000000), wk = 0.0044843 k( 106) = ( 0.2594166 0.7512143 -0.0000000), wk = 0.0044843 k( 107) = ( 0.2677849 0.7754470 -0.0000000), wk = 0.0044843 k( 108) = ( 0.2761532 0.7996798 -0.0000000), wk = 0.0044843 k( 109) = ( 0.2845215 0.8239125 -0.0000000), wk = 0.0044843 k( 110) = ( 0.2928898 0.8481452 -0.0000000), wk = 0.0044843 k( 111) = ( 0.3012580 0.8723779 -0.0000000), wk = 0.0044843 k( 112) = ( 0.3096263 0.8966106 -0.0000000), wk = 0.0044843 k( 113) = ( 0.3096263 0.8966106 -0.0000000), wk = 0.0044843 k( 114) = ( 0.3069160 0.8887622 0.0240443), wk = 0.0044843 k( 115) = ( 0.3042057 0.8809138 0.0480885), wk = 0.0044843 k( 116) = ( 0.3014954 0.8730654 0.0721328), wk = 0.0044843 k( 117) = ( 0.2987852 0.8652170 0.0961770), wk = 0.0044843 k( 118) = ( 0.2960749 0.8573686 0.1202213), wk = 0.0044843 k( 119) = ( 0.2933646 0.8495202 0.1442656), wk = 0.0044843 k( 120) = ( 0.2906543 0.8416718 0.1683098), wk = 0.0044843 k( 121) = ( 0.2879440 0.8338234 0.1923541), wk = 0.0044843 k( 122) = ( 0.2852337 0.8259750 0.2163983), wk = 0.0044843 k( 123) = ( 0.2825234 0.8181266 0.2404426), wk = 0.0044843 k( 124) = ( 0.2798132 0.8102782 0.2644868), wk = 0.0044843 k( 125) = ( 0.2771029 0.8024298 0.2885311), wk = 0.0044843 k( 126) = ( 0.2743926 0.7945814 0.3125754), wk = 0.0044843 k( 127) = ( 0.2716823 0.7867330 0.3366196), wk = 0.0044843 k( 128) = ( 0.2689720 0.7788846 0.3606639), wk = 0.0044843 k( 129) = ( 0.2662617 0.7710362 0.3847081), wk = 0.0044843 k( 130) = ( 0.2635514 0.7631878 0.4087524), wk = 0.0044843 k( 131) = ( 0.2608412 0.7553394 0.4327966), wk = 0.0044843 k( 132) = ( 0.2581309 0.7474910 0.4568409), wk = 0.0044843 k( 133) = ( 0.2554206 0.7396426 0.4808852), wk = 0.0044843 k( 134) = ( 0.2527103 0.7317942 0.5049294), wk = 0.0044843 k( 135) = ( 0.2500000 0.7239458 0.5289737), wk = 0.0044843 k( 136) = ( 0.2500000 0.7239458 0.5289737), wk = 0.0044843 k( 137) = ( 0.2333333 0.7297013 0.5113412), wk = 0.0044843 k( 138) = ( 0.2166667 0.7354568 0.4937088), wk = 0.0044843 k( 139) = ( 0.2000000 0.7412123 0.4760763), wk = 0.0044843 k( 140) = ( 0.1833333 0.7469678 0.4584439), wk = 0.0044843 k( 141) = ( 0.1666667 0.7527233 0.4408114), wk = 0.0044843 k( 142) = ( 0.1500000 0.7584788 0.4231789), wk = 0.0044843 k( 143) = ( 0.1333333 0.7642342 0.4055465), wk = 0.0044843 k( 144) = ( 0.1166667 0.7699897 0.3879140), wk = 0.0044843 k( 145) = ( 0.1000000 0.7757452 0.3702816), wk = 0.0044843 k( 146) = ( 0.0833333 0.7815007 0.3526491), wk = 0.0044843 k( 147) = ( 0.0666667 0.7872562 0.3350167), wk = 0.0044843 k( 148) = ( 0.0500000 0.7930117 0.3173842), wk = 0.0044843 k( 149) = ( 0.0333333 0.7987672 0.2997517), wk = 0.0044843 k( 150) = ( 0.0166667 0.8045227 0.2821193), wk = 0.0044843 k( 151) = ( 0.0000000 0.8102782 0.2644868), wk = 0.0044843 k( 152) = ( 0.0000000 0.8102782 0.2644868), wk = 0.0044843 k( 153) = ( -0.0193516 0.8048824 0.2810173), wk = 0.0044843 k( 154) = ( -0.0387033 0.7994867 0.2975477), wk = 0.0044843 k( 155) = ( -0.0580549 0.7940909 0.3140781), wk = 0.0044843 k( 156) = ( -0.0774066 0.7886951 0.3306086), wk = 0.0044843 k( 157) = ( -0.0967582 0.7832993 0.3471390), wk = 0.0044843 k( 158) = ( -0.1161099 0.7779035 0.3636694), wk = 0.0044843 k( 159) = ( -0.1354615 0.7725078 0.3801998), wk = 0.0044843 k( 160) = ( -0.1548132 0.7671120 0.3967303), wk = 0.0044843 k( 161) = ( -0.1741648 0.7617162 0.4132607), wk = 0.0044843 k( 162) = ( -0.1935164 0.7563205 0.4297911), wk = 0.0044843 k( 163) = ( -0.2128681 0.7509247 0.4463215), wk = 0.0044843 k( 164) = ( -0.2322197 0.7455289 0.4628520), wk = 0.0044843 k( 165) = ( -0.2515714 0.7401331 0.4793824), wk = 0.0044843 k( 166) = ( -0.2709230 0.7347373 0.4959128), wk = 0.0044843 k( 167) = ( -0.2902747 0.7293415 0.5124433), wk = 0.0044843 k( 168) = ( -0.3096263 0.7239458 0.5289737), wk = 0.0044843 k( 169) = ( -0.3096263 0.7239458 0.5289737), wk = 0.0044843 k( 170) = ( -0.3179034 0.6999770 0.5289737), wk = 0.0044843 k( 171) = ( -0.3261806 0.6760083 0.5289737), wk = 0.0044843 k( 172) = ( -0.3344577 0.6520396 0.5289737), wk = 0.0044843 k( 173) = ( -0.3427348 0.6280708 0.5289737), wk = 0.0044843 k( 174) = ( -0.3510119 0.6041021 0.5289737), wk = 0.0044843 k( 175) = ( -0.3592890 0.5801334 0.5289737), wk = 0.0044843 k( 176) = ( -0.3675661 0.5561646 0.5289737), wk = 0.0044843 k( 177) = ( -0.3758433 0.5321959 0.5289737), wk = 0.0044843 k( 178) = ( -0.3841204 0.5082272 0.5289737), wk = 0.0044843 k( 179) = ( -0.3923975 0.4842584 0.5289737), wk = 0.0044843 k( 180) = ( -0.4006746 0.4602897 0.5289737), wk = 0.0044843 k( 181) = ( -0.4089517 0.4363210 0.5289737), wk = 0.0044843 k( 182) = ( -0.4172288 0.4123522 0.5289737), wk = 0.0044843 k( 183) = ( -0.4255060 0.3883835 0.5289737), wk = 0.0044843 k( 184) = ( -0.4337831 0.3644148 0.5289737), wk = 0.0044843 k( 185) = ( -0.4420602 0.3404460 0.5289737), wk = 0.0044843 k( 186) = ( -0.4503373 0.3164773 0.5289737), wk = 0.0044843 k( 187) = ( -0.4586144 0.2925085 0.5289737), wk = 0.0044843 k( 188) = ( -0.4668915 0.2685398 0.5289737), wk = 0.0044843 k( 189) = ( -0.4751687 0.2445711 0.5289737), wk = 0.0044843 k( 190) = ( -0.4834458 0.2206023 0.5289737), wk = 0.0044843 k( 191) = ( -0.4917229 0.1966336 0.5289737), wk = 0.0044843 k( 192) = ( -0.5000000 0.1726649 0.5289737), wk = 0.0044843 k( 193) = ( 0.0000000 0.0000000 0.5289737), wk = 0.0044843 k( 194) = ( 0.0083333 0.0241315 0.5289737), wk = 0.0044843 k( 195) = ( 0.0166667 0.0482631 0.5289737), wk = 0.0044843 k( 196) = ( 0.0250000 0.0723946 0.5289737), wk = 0.0044843 k( 197) = ( 0.0333333 0.0965261 0.5289737), wk = 0.0044843 k( 198) = ( 0.0416667 0.1206576 0.5289737), wk = 0.0044843 k( 199) = ( 0.0500000 0.1447892 0.5289737), wk = 0.0044843 k( 200) = ( 0.0583333 0.1689207 0.5289737), wk = 0.0044843 k( 201) = ( 0.0666667 0.1930522 0.5289737), wk = 0.0044843 k( 202) = ( 0.0750000 0.2171837 0.5289737), wk = 0.0044843 k( 203) = ( 0.0833333 0.2413152 0.5289737), wk = 0.0044843 k( 204) = ( 0.0916667 0.2654468 0.5289737), wk = 0.0044843 k( 205) = ( 0.1000000 0.2895783 0.5289737), wk = 0.0044843 k( 206) = ( 0.1083333 0.3137098 0.5289737), wk = 0.0044843 k( 207) = ( 0.1166667 0.3378414 0.5289737), wk = 0.0044843 k( 208) = ( 0.1250000 0.3619729 0.5289737), wk = 0.0044843 k( 209) = ( 0.1333333 0.3861044 0.5289737), wk = 0.0044843 k( 210) = ( 0.1416667 0.4102359 0.5289737), wk = 0.0044843 k( 211) = ( 0.1500000 0.4343675 0.5289737), wk = 0.0044843 k( 212) = ( 0.1583333 0.4584990 0.5289737), wk = 0.0044843 k( 213) = ( 0.1666667 0.4826305 0.5289737), wk = 0.0044843 k( 214) = ( 0.1750000 0.5067620 0.5289737), wk = 0.0044843 k( 215) = ( 0.1833333 0.5308936 0.5289737), wk = 0.0044843 k( 216) = ( 0.1916667 0.5550251 0.5289737), wk = 0.0044843 k( 217) = ( 0.2000000 0.5791566 0.5289737), wk = 0.0044843 k( 218) = ( 0.2083333 0.6032881 0.5289737), wk = 0.0044843 k( 219) = ( 0.2166667 0.6274197 0.5289737), wk = 0.0044843 k( 220) = ( 0.2250000 0.6515512 0.5289737), wk = 0.0044843 k( 221) = ( 0.2333333 0.6756827 0.5289737), wk = 0.0044843 k( 222) = ( 0.2416667 0.6998143 0.5289737), wk = 0.0044843 k( 223) = ( 0.2500000 0.7239458 0.5289737), wk = 0.0044843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 2) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0044843 k( 3) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0044843 k( 4) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0044843 k( 5) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0044843 k( 6) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0044843 k( 7) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0044843 k( 8) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0044843 k( 9) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0044843 k( 10) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0044843 k( 11) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0044843 k( 12) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0044843 k( 13) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0044843 k( 14) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0044843 k( 15) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0044843 k( 16) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0044843 k( 17) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0044843 k( 18) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0044843 k( 19) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0044843 k( 20) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0044843 k( 21) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0044843 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044843 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044843 k( 24) = ( -0.0238095 0.0238095 0.5000000), wk = 0.0044843 k( 25) = ( -0.0476191 0.0476191 0.5000000), wk = 0.0044843 k( 26) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0044843 k( 27) = ( -0.0952381 0.0952381 0.5000000), wk = 0.0044843 k( 28) = ( -0.1190476 0.1190476 0.5000000), wk = 0.0044843 k( 29) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0044843 k( 30) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0044843 k( 31) = ( -0.1904762 0.1904762 0.5000000), wk = 0.0044843 k( 32) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0044843 k( 33) = ( -0.2380952 0.2380952 0.5000000), wk = 0.0044843 k( 34) = ( -0.2619048 0.2619048 0.5000000), wk = 0.0044843 k( 35) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0044843 k( 36) = ( -0.3095238 0.3095238 0.5000000), wk = 0.0044843 k( 37) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0044843 k( 38) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0044843 k( 39) = ( -0.3809524 0.3809524 0.5000000), wk = 0.0044843 k( 40) = ( -0.4047619 0.4047619 0.5000000), wk = 0.0044843 k( 41) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0044843 k( 42) = ( -0.4523810 0.4523810 0.5000000), wk = 0.0044843 k( 43) = ( -0.4761905 0.4761905 0.5000000), wk = 0.0044843 k( 44) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0044843 k( 45) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0044843 k( 46) = ( -0.4827586 0.4827586 0.4827586), wk = 0.0044843 k( 47) = ( -0.4655172 0.4655172 0.4655172), wk = 0.0044843 k( 48) = ( -0.4482759 0.4482759 0.4482759), wk = 0.0044843 k( 49) = ( -0.4310345 0.4310345 0.4310345), wk = 0.0044843 k( 50) = ( -0.4137931 0.4137931 0.4137931), wk = 0.0044843 k( 51) = ( -0.3965517 0.3965517 0.3965517), wk = 0.0044843 k( 52) = ( -0.3793103 0.3793103 0.3793103), wk = 0.0044843 k( 53) = ( -0.3620690 0.3620690 0.3620690), wk = 0.0044843 k( 54) = ( -0.3448276 0.3448276 0.3448276), wk = 0.0044843 k( 55) = ( -0.3275862 0.3275862 0.3275862), wk = 0.0044843 k( 56) = ( -0.3103448 0.3103448 0.3103448), wk = 0.0044843 k( 57) = ( -0.2931034 0.2931034 0.2931034), wk = 0.0044843 k( 58) = ( -0.2758621 0.2758621 0.2758621), wk = 0.0044843 k( 59) = ( -0.2586207 0.2586207 0.2586207), wk = 0.0044843 k( 60) = ( -0.2413793 0.2413793 0.2413793), wk = 0.0044843 k( 61) = ( -0.2241379 0.2241379 0.2241379), wk = 0.0044843 k( 62) = ( -0.2068966 0.2068966 0.2068966), wk = 0.0044843 k( 63) = ( -0.1896552 0.1896552 0.1896552), wk = 0.0044843 k( 64) = ( -0.1724138 0.1724138 0.1724138), wk = 0.0044843 k( 65) = ( -0.1551724 0.1551724 0.1551724), wk = 0.0044843 k( 66) = ( -0.1379310 0.1379310 0.1379310), wk = 0.0044843 k( 67) = ( -0.1206897 0.1206897 0.1206897), wk = 0.0044843 k( 68) = ( -0.1034483 0.1034483 0.1034483), wk = 0.0044843 k( 69) = ( -0.0862069 0.0862069 0.0862069), wk = 0.0044843 k( 70) = ( -0.0689655 0.0689655 0.0689655), wk = 0.0044843 k( 71) = ( -0.0517241 0.0517241 0.0517241), wk = 0.0044843 k( 72) = ( -0.0344828 0.0344828 0.0344828), wk = 0.0044843 k( 73) = ( -0.0172414 0.0172414 0.0172414), wk = 0.0044843 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044843 k( 76) = ( 0.0083683 0.0083683 -0.0083683), wk = 0.0044843 k( 77) = ( 0.0167366 0.0167366 -0.0167366), wk = 0.0044843 k( 78) = ( 0.0251048 0.0251048 -0.0251048), wk = 0.0044843 k( 79) = ( 0.0334731 0.0334731 -0.0334731), wk = 0.0044843 k( 80) = ( 0.0418414 0.0418414 -0.0418414), wk = 0.0044843 k( 81) = ( 0.0502097 0.0502097 -0.0502097), wk = 0.0044843 k( 82) = ( 0.0585779 0.0585779 -0.0585779), wk = 0.0044843 k( 83) = ( 0.0669462 0.0669462 -0.0669462), wk = 0.0044843 k( 84) = ( 0.0753145 0.0753145 -0.0753145), wk = 0.0044843 k( 85) = ( 0.0836828 0.0836828 -0.0836828), wk = 0.0044843 k( 86) = ( 0.0920511 0.0920511 -0.0920511), wk = 0.0044843 k( 87) = ( 0.1004193 0.1004193 -0.1004193), wk = 0.0044843 k( 88) = ( 0.1087876 0.1087876 -0.1087876), wk = 0.0044843 k( 89) = ( 0.1171559 0.1171559 -0.1171559), wk = 0.0044843 k( 90) = ( 0.1255242 0.1255242 -0.1255242), wk = 0.0044843 k( 91) = ( 0.1338925 0.1338925 -0.1338925), wk = 0.0044843 k( 92) = ( 0.1422607 0.1422607 -0.1422607), wk = 0.0044843 k( 93) = ( 0.1506290 0.1506290 -0.1506290), wk = 0.0044843 k( 94) = ( 0.1589973 0.1589973 -0.1589973), wk = 0.0044843 k( 95) = ( 0.1673656 0.1673656 -0.1673656), wk = 0.0044843 k( 96) = ( 0.1757338 0.1757338 -0.1757338), wk = 0.0044843 k( 97) = ( 0.1841021 0.1841021 -0.1841021), wk = 0.0044843 k( 98) = ( 0.1924704 0.1924704 -0.1924704), wk = 0.0044843 k( 99) = ( 0.2008387 0.2008387 -0.2008387), wk = 0.0044843 k( 100) = ( 0.2092070 0.2092070 -0.2092070), wk = 0.0044843 k( 101) = ( 0.2175752 0.2175753 -0.2175752), wk = 0.0044843 k( 102) = ( 0.2259435 0.2259435 -0.2259435), wk = 0.0044843 k( 103) = ( 0.2343118 0.2343118 -0.2343118), wk = 0.0044843 k( 104) = ( 0.2426801 0.2426801 -0.2426801), wk = 0.0044843 k( 105) = ( 0.2510484 0.2510484 -0.2510484), wk = 0.0044843 k( 106) = ( 0.2594166 0.2594166 -0.2594166), wk = 0.0044843 k( 107) = ( 0.2677849 0.2677849 -0.2677849), wk = 0.0044843 k( 108) = ( 0.2761532 0.2761532 -0.2761532), wk = 0.0044843 k( 109) = ( 0.2845215 0.2845215 -0.2845215), wk = 0.0044843 k( 110) = ( 0.2928898 0.2928898 -0.2928898), wk = 0.0044843 k( 111) = ( 0.3012580 0.3012580 -0.3012580), wk = 0.0044843 k( 112) = ( 0.3096263 0.3096263 -0.3096263), wk = 0.0044843 k( 113) = ( 0.3096263 0.3096263 -0.3096263), wk = 0.0044843 k( 114) = ( 0.3069160 0.3069160 -0.2841887), wk = 0.0044843 k( 115) = ( 0.3042057 0.3042057 -0.2587512), wk = 0.0044843 k( 116) = ( 0.3014954 0.3014955 -0.2333136), wk = 0.0044843 k( 117) = ( 0.2987852 0.2987852 -0.2078761), wk = 0.0044843 k( 118) = ( 0.2960749 0.2960749 -0.1824385), wk = 0.0044843 k( 119) = ( 0.2933646 0.2933646 -0.1570010), wk = 0.0044843 k( 120) = ( 0.2906543 0.2906543 -0.1315634), wk = 0.0044843 k( 121) = ( 0.2879440 0.2879440 -0.1061258), wk = 0.0044843 k( 122) = ( 0.2852337 0.2852337 -0.0806883), wk = 0.0044843 k( 123) = ( 0.2825234 0.2825234 -0.0552507), wk = 0.0044843 k( 124) = ( 0.2798132 0.2798132 -0.0298132), wk = 0.0044843 k( 125) = ( 0.2771029 0.2771029 -0.0043756), wk = 0.0044843 k( 126) = ( 0.2743926 0.2743926 0.0210620), wk = 0.0044843 k( 127) = ( 0.2716823 0.2716823 0.0464995), wk = 0.0044843 k( 128) = ( 0.2689720 0.2689720 0.0719371), wk = 0.0044843 k( 129) = ( 0.2662617 0.2662617 0.0973746), wk = 0.0044843 k( 130) = ( 0.2635514 0.2635514 0.1228122), wk = 0.0044843 k( 131) = ( 0.2608412 0.2608412 0.1482498), wk = 0.0044843 k( 132) = ( 0.2581309 0.2581309 0.1736873), wk = 0.0044843 k( 133) = ( 0.2554206 0.2554206 0.1991249), wk = 0.0044843 k( 134) = ( 0.2527103 0.2527103 0.2245624), wk = 0.0044843 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044843 k( 136) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044843 k( 137) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0044843 k( 138) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0044843 k( 139) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0044843 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0044843 k( 141) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0044843 k( 142) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0044843 k( 143) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0044843 k( 144) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0044843 k( 145) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0044843 k( 146) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0044843 k( 147) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0044843 k( 148) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0044843 k( 149) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0044843 k( 150) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0044843 k( 151) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044843 k( 152) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044843 k( 153) = ( -0.0193516 0.5118984 0.0193516), wk = 0.0044843 k( 154) = ( -0.0387033 0.5237967 0.0387033), wk = 0.0044843 k( 155) = ( -0.0580549 0.5356951 0.0580549), wk = 0.0044843 k( 156) = ( -0.0774066 0.5475934 0.0774066), wk = 0.0044843 k( 157) = ( -0.0967582 0.5594918 0.0967582), wk = 0.0044843 k( 158) = ( -0.1161099 0.5713901 0.1161099), wk = 0.0044843 k( 159) = ( -0.1354615 0.5832885 0.1354615), wk = 0.0044843 k( 160) = ( -0.1548132 0.5951868 0.1548132), wk = 0.0044843 k( 161) = ( -0.1741648 0.6070852 0.1741648), wk = 0.0044843 k( 162) = ( -0.1935164 0.6189836 0.1935164), wk = 0.0044843 k( 163) = ( -0.2128681 0.6308819 0.2128681), wk = 0.0044843 k( 164) = ( -0.2322197 0.6427803 0.2322197), wk = 0.0044843 k( 165) = ( -0.2515714 0.6546786 0.2515714), wk = 0.0044843 k( 166) = ( -0.2709230 0.6665770 0.2709230), wk = 0.0044843 k( 167) = ( -0.2902747 0.6784753 0.2902747), wk = 0.0044843 k( 168) = ( -0.3096263 0.6903737 0.3096263), wk = 0.0044843 k( 169) = ( -0.3096263 0.6903737 0.3096263), wk = 0.0044843 k( 170) = ( -0.3179034 0.6820966 0.3179034), wk = 0.0044843 k( 171) = ( -0.3261806 0.6738194 0.3261806), wk = 0.0044843 k( 172) = ( -0.3344577 0.6655423 0.3344577), wk = 0.0044843 k( 173) = ( -0.3427348 0.6572652 0.3427348), wk = 0.0044843 k( 174) = ( -0.3510119 0.6489881 0.3510119), wk = 0.0044843 k( 175) = ( -0.3592890 0.6407110 0.3592890), wk = 0.0044843 k( 176) = ( -0.3675661 0.6324339 0.3675661), wk = 0.0044843 k( 177) = ( -0.3758433 0.6241568 0.3758433), wk = 0.0044843 k( 178) = ( -0.3841204 0.6158796 0.3841204), wk = 0.0044843 k( 179) = ( -0.3923975 0.6076025 0.3923975), wk = 0.0044843 k( 180) = ( -0.4006746 0.5993254 0.4006746), wk = 0.0044843 k( 181) = ( -0.4089517 0.5910483 0.4089517), wk = 0.0044843 k( 182) = ( -0.4172288 0.5827712 0.4172288), wk = 0.0044843 k( 183) = ( -0.4255060 0.5744940 0.4255060), wk = 0.0044843 k( 184) = ( -0.4337831 0.5662169 0.4337831), wk = 0.0044843 k( 185) = ( -0.4420602 0.5579398 0.4420602), wk = 0.0044843 k( 186) = ( -0.4503373 0.5496627 0.4503373), wk = 0.0044843 k( 187) = ( -0.4586144 0.5413856 0.4586144), wk = 0.0044843 k( 188) = ( -0.4668915 0.5331085 0.4668915), wk = 0.0044843 k( 189) = ( -0.4751687 0.5248314 0.4751687), wk = 0.0044843 k( 190) = ( -0.4834458 0.5165542 0.4834458), wk = 0.0044843 k( 191) = ( -0.4917229 0.5082771 0.4917229), wk = 0.0044843 k( 192) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0044843 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044843 k( 194) = ( 0.0083333 0.0083333 0.4916667), wk = 0.0044843 k( 195) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0044843 k( 196) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0044843 k( 197) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0044843 k( 198) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0044843 k( 199) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0044843 k( 200) = ( 0.0583333 0.0583333 0.4416667), wk = 0.0044843 k( 201) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0044843 k( 202) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0044843 k( 203) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0044843 k( 204) = ( 0.0916667 0.0916667 0.4083333), wk = 0.0044843 k( 205) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0044843 k( 206) = ( 0.1083333 0.1083333 0.3916667), wk = 0.0044843 k( 207) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0044843 k( 208) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0044843 k( 209) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0044843 k( 210) = ( 0.1416667 0.1416667 0.3583333), wk = 0.0044843 k( 211) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0044843 k( 212) = ( 0.1583333 0.1583333 0.3416667), wk = 0.0044843 k( 213) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0044843 k( 214) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0044843 k( 215) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0044843 k( 216) = ( 0.1916667 0.1916667 0.3083333), wk = 0.0044843 k( 217) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0044843 k( 218) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0044843 k( 219) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0044843 k( 220) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0044843 k( 221) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0044843 k( 222) = ( 0.2416667 0.2416667 0.2583333), wk = 0.0044843 k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044843 Dense grid: 106151 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.81 Mb ( 754, 70) NL pseudopotentials 2.09 Mb ( 377, 364) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2947) G-vector shells 0.01 Mb ( 1326) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.22 Mb ( 754, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.78 Mb ( 364, 2, 70) The potential is recalculated from file : ./Zr5Al3.save/charge-density.dat Starting wfc are 228 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 7.3 secs Computing kpt #: 3 total cpu time spent up to now is 10.2 secs Computing kpt #: 4 total cpu time spent up to now is 13.2 secs Computing kpt #: 5 total cpu time spent up to now is 16.1 secs Computing kpt #: 6 total cpu time spent up to now is 19.1 secs Computing kpt #: 7 total cpu time spent up to now is 22.1 secs Computing kpt #: 8 total cpu time spent up to now is 25.1 secs Computing kpt #: 9 total cpu time spent up to now is 28.2 secs Computing kpt #: 10 total cpu time spent up to now is 31.3 secs Computing kpt #: 11 total cpu time spent up to now is 34.5 secs Computing kpt #: 12 total cpu time spent up to now is 38.0 secs Computing kpt #: 13 total cpu time spent up to now is 41.7 secs Computing kpt #: 14 total cpu time spent up to now is 47.1 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.5 secs Computing kpt #: 16 total cpu time spent up to now is 56.3 secs Computing kpt #: 17 total cpu time spent up to now is 59.9 secs Computing kpt #: 18 total cpu time spent up to now is 63.3 secs Computing kpt #: 19 total cpu time spent up to now is 66.6 secs Computing kpt #: 20 total cpu time spent up to now is 69.8 secs Computing kpt #: 21 total cpu time spent up to now is 72.9 secs Computing kpt #: 22 total cpu time spent up to now is 76.1 secs Computing kpt #: 23 total cpu time spent up to now is 79.3 secs Computing kpt #: 24 total cpu time spent up to now is 82.5 secs Computing kpt #: 25 total cpu time spent up to now is 85.7 secs Computing kpt #: 26 total cpu time spent up to now is 89.0 secs Computing kpt #: 27 total cpu time spent up to now is 92.3 secs Computing kpt #: 28 total cpu time spent up to now is 95.6 secs Computing kpt #: 29 total cpu time spent up to now is 99.0 secs Computing kpt #: 30 total cpu time spent up to now is 102.5 secs Computing kpt #: 31 total cpu time spent up to now is 105.9 secs Computing kpt #: 32 total cpu time spent up to now is 109.3 secs Computing kpt #: 33 total cpu time spent up to now is 112.8 secs Computing kpt #: 34 total cpu time spent up to now is 116.1 secs Computing kpt #: 35 total cpu time spent up to now is 119.5 secs Computing kpt #: 36 total cpu time spent up to now is 123.1 secs Computing kpt #: 37 total cpu time spent up to now is 126.7 secs Computing kpt #: 38 total cpu time spent up to now is 130.4 secs Computing kpt #: 39 total cpu time spent up to now is 134.2 secs Computing kpt #: 40 total cpu time spent up to now is 138.0 secs Computing kpt #: 41 total cpu time spent up to now is 142.9 secs Computing kpt #: 42 total cpu time spent up to now is 148.1 secs Computing kpt #: 43 total cpu time spent up to now is 152.0 secs Computing kpt #: 44 total cpu time spent up to now is 156.0 secs Computing kpt #: 45 total cpu time spent up to now is 160.0 secs Computing kpt #: 46 total cpu time spent up to now is 164.2 secs Computing kpt #: 47 total cpu time spent up to now is 169.0 secs Computing kpt #: 48 total cpu time spent up to now is 174.4 secs Computing kpt #: 49 total cpu time spent up to now is 178.7 secs Computing kpt #: 50 total cpu time spent up to now is 182.8 secs Computing kpt #: 51 total cpu time spent up to now is 187.1 secs Computing kpt #: 52 total cpu time spent up to now is 190.9 secs Computing kpt #: 53 total cpu time spent up to now is 194.5 secs Computing kpt #: 54 total cpu time spent up to now is 198.2 secs Computing kpt #: 55 total cpu time spent up to now is 201.9 secs Computing kpt #: 56 total cpu time spent up to now is 205.6 secs Computing kpt #: 57 total cpu time spent up to now is 209.3 secs Computing kpt #: 58 total cpu time spent up to now is 213.0 secs Computing kpt #: 59 total cpu time spent up to now is 216.7 secs Computing kpt #: 60 total cpu time spent up to now is 220.1 secs Computing kpt #: 61 total cpu time spent up to now is 223.9 secs Computing kpt #: 62 total cpu time spent up to now is 228.6 secs Computing kpt #: 63 total cpu time spent up to now is 232.2 secs Computing kpt #: 64 total cpu time spent up to now is 235.5 secs Computing kpt #: 65 total cpu time spent up to now is 238.7 secs Computing kpt #: 66 total cpu time spent up to now is 241.7 secs Computing kpt #: 67 total cpu time spent up to now is 244.8 secs Computing kpt #: 68 total cpu time spent up to now is 247.8 secs Computing kpt #: 69 total cpu time spent up to now is 250.8 secs Computing kpt #: 70 total cpu time spent up to now is 254.5 secs Computing kpt #: 71 total cpu time spent up to now is 257.4 secs Computing kpt #: 72 total cpu time spent up to now is 260.3 secs Computing kpt #: 73 total cpu time spent up to now is 263.2 secs Computing kpt #: 74 total cpu time spent up to now is 266.1 secs Computing kpt #: 75 total cpu time spent up to now is 269.0 secs Computing kpt #: 76 total cpu time spent up to now is 271.9 secs Computing kpt #: 77 total cpu time spent up to now is 274.8 secs Computing kpt #: 78 total cpu time spent up to now is 277.8 secs Computing kpt #: 79 total cpu time spent up to now is 280.7 secs Computing kpt #: 80 total cpu time spent up to now is 283.7 secs Computing kpt #: 81 total cpu time spent up to now is 286.7 secs Computing kpt #: 82 total cpu time spent up to now is 289.7 secs Computing kpt #: 83 total cpu time spent up to now is 292.8 secs Computing kpt #: 84 total cpu time spent up to now is 295.9 secs Computing kpt #: 85 total cpu time spent up to now is 299.0 secs Computing kpt #: 86 total cpu time spent up to now is 302.1 secs Computing kpt #: 87 total cpu time spent up to now is 305.3 secs Computing kpt #: 88 total cpu time spent up to now is 308.4 secs Computing kpt #: 89 total cpu time spent up to now is 311.6 secs Computing kpt #: 90 total cpu time spent up to now is 314.9 secs Computing kpt #: 91 total cpu time spent up to now is 318.3 secs Computing kpt #: 92 total cpu time spent up to now is 321.7 secs Computing kpt #: 93 total cpu time spent up to now is 325.4 secs Computing kpt #: 94 total cpu time spent up to now is 329.3 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.7 secs Computing kpt #: 96 total cpu time spent up to now is 339.3 secs Computing kpt #: 97 total cpu time spent up to now is 343.4 secs Computing kpt #: 98 total cpu time spent up to now is 347.1 secs Computing kpt #: 99 total cpu time spent up to now is 350.9 secs Computing kpt #: 100 total cpu time spent up to now is 354.7 secs Computing kpt #: 101 total cpu time spent up to now is 358.8 secs Computing kpt #: 102 total cpu time spent up to now is 362.7 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 368.2 secs Computing kpt #: 104 total cpu time spent up to now is 372.1 secs Computing kpt #: 105 total cpu time spent up to now is 375.8 secs Computing kpt #: 106 total cpu time spent up to now is 379.6 secs Computing kpt #: 107 total cpu time spent up to now is 383.3 secs Computing kpt #: 108 total cpu time spent up to now is 387.0 secs Computing kpt #: 109 total cpu time spent up to now is 390.7 secs Computing kpt #: 110 total cpu time spent up to now is 394.5 secs Computing kpt #: 111 total cpu time spent up to now is 398.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.3 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.1 secs Computing kpt #: 114 total cpu time spent up to now is 414.7 secs Computing kpt #: 115 total cpu time spent up to now is 419.2 secs Computing kpt #: 116 total cpu time spent up to now is 423.1 secs Computing kpt #: 117 total cpu time spent up to now is 427.5 secs Computing kpt #: 118 total cpu time spent up to now is 431.4 secs Computing kpt #: 119 total cpu time spent up to now is 435.7 secs Computing kpt #: 120 total cpu time spent up to now is 439.6 secs Computing kpt #: 121 total cpu time spent up to now is 443.9 secs Computing kpt #: 122 total cpu time spent up to now is 449.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.2 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.9 secs Computing kpt #: 125 total cpu time spent up to now is 465.7 secs Computing kpt #: 126 total cpu time spent up to now is 470.1 secs Computing kpt #: 127 total cpu time spent up to now is 474.5 secs Computing kpt #: 128 total cpu time spent up to now is 479.7 secs Computing kpt #: 129 total cpu time spent up to now is 485.2 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.2 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 497.2 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.2 secs Computing kpt #: 133 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 509.4 secs Computing kpt #: 134 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 515.6 secs Computing kpt #: 135 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 522.1 secs Computing kpt #: 136 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 528.2 secs Computing kpt #: 137 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 534.6 secs Computing kpt #: 138 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 540.7 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 546.8 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 553.0 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.1 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.8 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 570.3 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.9 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.6 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 587.2 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.8 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.4 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 604.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 609.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.1 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.7 secs Computing kpt #: 153 total cpu time spent up to now is 624.9 secs Computing kpt #: 154 total cpu time spent up to now is 628.7 secs Computing kpt #: 155 total cpu time spent up to now is 632.6 secs Computing kpt #: 156 total cpu time spent up to now is 636.3 secs Computing kpt #: 157 total cpu time spent up to now is 640.1 secs Computing kpt #: 158 total cpu time spent up to now is 643.9 secs Computing kpt #: 159 total cpu time spent up to now is 647.8 secs Computing kpt #: 160 total cpu time spent up to now is 651.6 secs Computing kpt #: 161 total cpu time spent up to now is 655.5 secs Computing kpt #: 162 total cpu time spent up to now is 659.4 secs Computing kpt #: 163 total cpu time spent up to now is 663.4 secs Computing kpt #: 164 total cpu time spent up to now is 667.8 secs Computing kpt #: 165 total cpu time spent up to now is 672.1 secs Computing kpt #: 166 total cpu time spent up to now is 676.6 secs Computing kpt #: 167 total cpu time spent up to now is 681.1 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.8 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 698.5 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 704.3 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.1 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 715.6 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 721.1 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 726.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 731.9 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 737.5 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 743.1 secs Computing kpt #: 179 total cpu time spent up to now is 747.3 secs Computing kpt #: 180 total cpu time spent up to now is 750.6 secs Computing kpt #: 181 total cpu time spent up to now is 754.0 secs Computing kpt #: 182 total cpu time spent up to now is 757.3 secs Computing kpt #: 183 total cpu time spent up to now is 760.9 secs Computing kpt #: 184 total cpu time spent up to now is 764.4 secs Computing kpt #: 185 total cpu time spent up to now is 768.6 secs Computing kpt #: 186 total cpu time spent up to now is 773.4 secs Computing kpt #: 187 total cpu time spent up to now is 777.8 secs Computing kpt #: 188 total cpu time spent up to now is 782.4 secs Computing kpt #: 189 total cpu time spent up to now is 786.7 secs Computing kpt #: 190 total cpu time spent up to now is 790.7 secs Computing kpt #: 191 total cpu time spent up to now is 794.7 secs Computing kpt #: 192 total cpu time spent up to now is 798.6 secs Computing kpt #: 193 total cpu time spent up to now is 801.8 secs Computing kpt #: 194 total cpu time spent up to now is 804.9 secs Computing kpt #: 195 total cpu time spent up to now is 808.1 secs Computing kpt #: 196 total cpu time spent up to now is 811.4 secs Computing kpt #: 197 total cpu time spent up to now is 814.6 secs Computing kpt #: 198 total cpu time spent up to now is 817.8 secs Computing kpt #: 199 total cpu time spent up to now is 821.1 secs Computing kpt #: 200 total cpu time spent up to now is 824.4 secs Computing kpt #: 201 total cpu time spent up to now is 827.7 secs Computing kpt #: 202 total cpu time spent up to now is 831.0 secs Computing kpt #: 203 total cpu time spent up to now is 834.3 secs Computing kpt #: 204 total cpu time spent up to now is 837.7 secs Computing kpt #: 205 total cpu time spent up to now is 841.2 secs Computing kpt #: 206 total cpu time spent up to now is 845.5 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 851.0 secs Computing kpt #: 208 total cpu time spent up to now is 855.8 secs Computing kpt #: 209 total cpu time spent up to now is 859.6 secs Computing kpt #: 210 total cpu time spent up to now is 863.5 secs Computing kpt #: 211 total cpu time spent up to now is 867.5 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 873.1 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.6 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.2 secs Computing kpt #: 215 total cpu time spent up to now is 889.4 secs Computing kpt #: 216 total cpu time spent up to now is 893.9 secs Computing kpt #: 217 total cpu time spent up to now is 898.4 secs Computing kpt #: 218 total cpu time spent up to now is 902.4 secs Computing kpt #: 219 total cpu time spent up to now is 906.8 secs Computing kpt #: 220 total cpu time spent up to now is 911.6 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 917.3 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.0 secs Computing kpt #: 223 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 929.5 secs ethr = 1.72E-08, avg # of iterations = 64.0 total cpu time spent up to now is 929.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13295 PWs) bands (ev): 0.1938 0.1938 1.8760 1.8760 2.4891 2.4891 2.8151 2.8151 2.8255 2.8255 4.4570 4.4570 4.4807 4.4807 4.5288 4.5288 4.7349 4.7349 4.9956 4.9956 5.5520 5.5520 5.7490 5.7490 5.9573 5.9573 5.9657 5.9657 6.0277 6.0277 6.0371 6.0371 6.2672 6.2672 6.3329 6.3329 6.5464 6.5464 6.5583 6.5583 6.8667 6.8667 6.8790 6.8790 6.9177 6.9177 6.9302 6.9302 7.0784 7.0784 7.2108 7.2108 7.2346 7.2346 7.2435 7.2435 7.6294 7.6294 7.6660 7.6660 7.7219 7.7219 7.8224 7.8224 7.8418 7.8418 8.2685 8.2685 8.3562 8.3562 k = 0.0000 0.0000 0.0252 ( 13299 PWs) bands (ev): 0.1953 0.1953 1.8743 1.8743 2.4826 2.4826 2.8176 2.8176 2.8282 2.8282 4.4565 4.4565 4.4808 4.4808 4.5298 4.5298 4.7343 4.7343 4.9970 4.9970 5.5516 5.5516 5.7449 5.7449 5.9609 5.9609 5.9673 5.9673 6.0259 6.0259 6.0384 6.0384 6.2665 6.2665 6.3319 6.3319 6.5474 6.5474 6.5590 6.5590 6.8666 6.8666 6.8784 6.8784 6.9164 6.9164 6.9294 6.9294 7.0771 7.0771 7.2146 7.2146 7.2344 7.2344 7.2472 7.2472 7.6329 7.6329 7.6660 7.6660 7.7227 7.7227 7.8221 7.8221 7.8414 7.8414 8.2691 8.2691 8.3573 8.3573 k = 0.0000 0.0000 0.0504 ( 13293 PWs) bands (ev): 0.1998 0.1998 1.8688 1.8688 2.4646 2.4646 2.8216 2.8216 2.8382 2.8382 4.4504 4.4504 4.4861 4.4861 4.5332 4.5332 4.7324 4.7324 5.0004 5.0004 5.5509 5.5509 5.7336 5.7336 5.9672 5.9672 5.9754 5.9754 6.0183 6.0183 6.0444 6.0444 6.2651 6.2651 6.3291 6.3291 6.5499 6.5499 6.5608 6.5608 6.8661 6.8661 6.8764 6.8764 6.9116 6.9116 6.9282 6.9282 7.0740 7.0740 7.2254 7.2254 7.2309 7.2309 7.2614 7.2614 7.6432 7.6432 7.6661 7.6661 7.7251 7.7251 7.8212 7.8212 7.8405 7.8405 8.2710 8.2710 8.3604 8.3604 k = 0.0000 0.0000 0.0756 ( 13301 PWs) bands (ev): 0.2073 0.2073 1.8592 1.8592 2.4387 2.4387 2.8255 2.8255 2.8541 2.8541 4.4358 4.4358 4.4994 4.4994 4.5396 4.5396 4.7292 4.7292 5.0043 5.0043 5.5512 5.5512 5.7171 5.7171 5.9725 5.9725 5.9911 5.9911 6.0046 6.0046 6.0549 6.0549 6.2644 6.2644 6.3248 6.3248 6.5531 6.5531 6.5631 6.5631 6.8651 6.8651 6.8728 6.8728 6.9034 6.9034 6.9281 6.9281 7.0699 7.0699 7.2246 7.2246 7.2417 7.2417 7.2849 7.2849 7.6599 7.6599 7.6664 7.6664 7.7289 7.7289 7.8198 7.8198 7.8390 7.8390 8.2742 8.2742 8.3656 8.3656 k = 0.0000 0.0000 0.1008 ( 13307 PWs) bands (ev): 0.2177 0.2177 1.8451 1.8451 2.4088 2.4088 2.8299 2.8299 2.8722 2.8722 4.4153 4.4153 4.5164 4.5164 4.5519 4.5519 4.7250 4.7250 5.0065 5.0065 5.5546 5.5546 5.6975 5.6975 5.9759 5.9759 5.9864 5.9864 6.0117 6.0117 6.0687 6.0687 6.2658 6.2658 6.3193 6.3193 6.5557 6.5557 6.5650 6.5650 6.8625 6.8625 6.8684 6.8684 6.8933 6.8933 6.9289 6.9289 7.0658 7.0658 7.2177 7.2177 7.2614 7.2614 7.3160 7.3161 7.6664 7.6664 7.6829 7.6829 7.7336 7.7336 7.8182 7.8182 7.8373 7.8373 8.2784 8.2784 8.3728 8.3728 k = 0.0000 0.0000 0.1259 ( 13299 PWs) bands (ev): 0.2311 0.2311 1.8258 1.8258 2.3779 2.3779 2.8353 2.8353 2.8899 2.8899 4.3909 4.3909 4.5309 4.5309 4.5753 4.5753 4.7198 4.7198 5.0048 5.0048 5.5627 5.5627 5.6764 5.6764 5.9554 5.9554 5.9892 5.9892 6.0328 6.0328 6.0849 6.0849 6.2702 6.2702 6.3131 6.3131 6.5554 6.5554 6.5667 6.5667 6.8555 6.8555 6.8655 6.8655 6.8827 6.8827 6.9304 6.9304 7.0624 7.0624 7.2117 7.2117 7.2828 7.2828 7.3537 7.3537 7.6667 7.6667 7.7112 7.7112 7.7390 7.7390 7.8166 7.8166 7.8356 7.8356 8.2836 8.2836 8.3819 8.3819 k = 0.0000 0.0000 0.1511 ( 13305 PWs) bands (ev): 0.2473 0.2473 1.8008 1.8008 2.3487 2.3487 2.8416 2.8416 2.9058 2.9058 4.3643 4.3643 4.5417 4.5417 4.6102 4.6102 4.7137 4.7137 4.9977 4.9977 5.5769 5.5769 5.6548 5.6548 5.9255 5.9255 5.9983 5.9983 6.0542 6.0542 6.1026 6.1026 6.2778 6.2778 6.3067 6.3067 6.5499 6.5499 6.5686 6.5686 6.8448 6.8448 6.8634 6.8634 6.8728 6.8728 6.9325 6.9325 7.0599 7.0599 7.2081 7.2081 7.3039 7.3039 7.3970 7.3970 7.6669 7.6669 7.7443 7.7443 7.7447 7.7447 7.8151 7.8151 7.8347 7.8347 8.2895 8.2895 8.3930 8.3930 k = 0.0000 0.0000 0.1763 ( 13281 PWs) bands (ev): 0.2663 0.2663 1.7696 1.7696 2.3228 2.3228 2.8488 2.8488 2.9189 2.9189 4.3366 4.3366 4.5511 4.5511 4.6535 4.6535 4.7071 4.7071 4.9847 4.9847 5.5973 5.5973 5.6336 5.6336 5.8921 5.8921 6.0087 6.0087 6.0750 6.0750 6.1213 6.1213 6.2879 6.2879 6.3007 6.3007 6.5381 6.5381 6.5700 6.5700 6.8312 6.8312 6.8612 6.8612 6.8651 6.8651 6.9352 6.9352 7.0585 7.0585 7.2078 7.2078 7.3232 7.3232 7.4450 7.4450 7.6671 7.6671 7.7503 7.7503 7.7813 7.7813 7.8135 7.8135 7.8357 7.8357 8.2961 8.2961 8.4059 8.4059 k = 0.0000 0.0000 0.2015 ( 13293 PWs) bands (ev): 0.2879 0.2879 1.7324 1.7324 2.3012 2.3012 2.8566 2.8566 2.9290 2.9290 4.3086 4.3086 4.5603 4.5603 4.6982 4.6982 4.7052 4.7052 4.9663 4.9663 5.6093 5.6093 5.6272 5.6272 5.8568 5.8568 6.0199 6.0199 6.0944 6.0944 6.1403 6.1403 6.2917 6.2917 6.3040 6.3040 6.5191 6.5191 6.5704 6.5704 6.8154 6.8154 6.8584 6.8584 6.8607 6.8607 6.9383 6.9383 7.0581 7.0581 7.2111 7.2111 7.3392 7.3392 7.4971 7.4971 7.6674 7.6674 7.7558 7.7558 7.8113 7.8113 7.8214 7.8214 7.8400 7.8400 8.3030 8.3030 8.4204 8.4204 k = 0.0000 0.0000 0.2267 ( 13297 PWs) bands (ev): 0.3122 0.3122 1.6897 1.6897 2.2843 2.2843 2.8651 2.8651 2.9362 2.9362 4.2811 4.2811 4.5694 4.5694 4.6921 4.6921 4.7593 4.7593 4.9436 4.9436 5.5905 5.5905 5.6575 5.6575 5.8208 5.8208 6.0317 6.0317 6.1120 6.1120 6.1593 6.1593 6.2864 6.2864 6.3186 6.3186 6.4927 6.4927 6.5695 6.5695 6.7985 6.7985 6.8560 6.8560 6.8595 6.8595 6.9420 6.9420 7.0589 7.0589 7.2177 7.2177 7.3505 7.3505 7.5523 7.5523 7.6678 7.6678 7.7608 7.7608 7.8084 7.8084 7.8479 7.8479 7.8643 7.8643 8.3099 8.3099 8.4366 8.4366 k = 0.0000 0.0000 0.2519 ( 13293 PWs) bands (ev): 0.3388 0.3388 1.6424 1.6424 2.2717 2.2717 2.8740 2.8740 2.9406 2.9406 4.2546 4.2546 4.5786 4.5786 4.6845 4.6845 4.8195 4.8195 4.9178 4.9178 5.5715 5.5715 5.6925 5.6925 5.7851 5.7851 6.0436 6.0436 6.1275 6.1275 6.1778 6.1778 6.2812 6.2812 6.3344 6.3344 6.4594 6.4594 6.5672 6.5672 6.7817 6.7817 6.8531 6.8531 6.8625 6.8625 6.9461 6.9461 7.0606 7.0606 7.2273 7.2273 7.3564 7.3564 7.6098 7.6098 7.6684 7.6684 7.7653 7.7653 7.8049 7.8049 7.8611 7.8611 7.9078 7.9078 8.3166 8.3166 8.4540 8.4540 k = 0.0000 0.0000 0.2771 ( 13285 PWs) bands (ev): 0.3676 0.3676 1.5915 1.5915 2.2630 2.2630 2.8832 2.8832 2.9425 2.9425 4.2295 4.2295 4.5878 4.5878 4.6769 4.6769 4.8782 4.8782 4.8958 4.8958 5.5535 5.5535 5.7275 5.7275 5.7527 5.7527 6.0554 6.0554 6.1406 6.1406 6.1954 6.1954 6.2769 6.2769 6.3462 6.3462 6.4238 6.4238 6.5634 6.5634 6.7656 6.7656 6.8499 6.8499 6.8697 6.8697 6.9505 6.9505 7.0632 7.0632 7.2389 7.2389 7.3566 7.3566 7.6623 7.6623 7.6757 7.6757 7.7691 7.7691 7.8010 7.8010 7.8786 7.8786 7.9520 7.9520 8.3229 8.3229 8.4726 8.4726 k = 0.0000 0.0000 0.3023 ( 13279 PWs) bands (ev): 0.3984 0.3984 1.5381 1.5381 2.2575 2.2575 2.8924 2.8924 2.9423 2.9423 4.2061 4.2061 4.5967 4.5967 4.6695 4.6695 4.8598 4.8598 4.9539 4.9539 5.5369 5.5369 5.7143 5.7143 5.7713 5.7713 6.0668 6.0668 6.1514 6.1514 6.2113 6.2113 6.2744 6.2744 6.3340 6.3340 6.4061 6.4061 6.5583 6.5583 6.7504 6.7504 6.8464 6.8464 6.8810 6.8810 6.9553 6.9553 7.0663 7.0663 7.2519 7.2519 7.3510 7.3510 7.6676 7.6676 7.7309 7.7309 7.7723 7.7723 7.7971 7.7971 7.9001 7.9001 7.9955 7.9955 8.3284 8.3284 8.4917 8.4917 k = 0.0000 0.0000 0.3275 ( 13283 PWs) bands (ev): 0.4307 0.4307 1.4836 1.4836 2.2545 2.2545 2.9015 2.9015 2.9406 2.9406 4.1847 4.1847 4.6053 4.6053 4.6625 4.6625 4.8320 4.8320 5.0245 5.0245 5.5218 5.5218 5.6840 5.6840 5.8089 5.8089 6.0776 6.0776 6.1599 6.1599 6.2237 6.2237 6.2744 6.2744 6.2886 6.2886 6.4168 6.4168 6.5519 6.5519 6.7361 6.7361 6.8427 6.8427 6.8960 6.8960 6.9601 6.9601 7.0699 7.0699 7.2655 7.2655 7.3404 7.3404 7.6684 7.6684 7.7729 7.7729 7.7879 7.7879 7.7981 7.7981 7.9245 7.9245 8.0377 8.0377 8.3329 8.3329 8.5100 8.5100 k = 0.0000 0.0000 0.3526 ( 13287 PWs) bands (ev): 0.4642 0.4642 1.4291 1.4291 2.2533 2.2533 2.9101 2.9101 2.9377 2.9377 4.1654 4.1654 4.6134 4.6134 4.6560 4.6560 4.8053 4.8053 5.0975 5.0975 5.5082 5.5082 5.6561 5.6561 5.8458 5.8458 6.0876 6.0876 6.1659 6.1659 6.2281 6.2281 6.2313 6.2313 6.2812 6.2812 6.4361 6.4361 6.5444 6.5444 6.7222 6.7222 6.8391 6.8391 6.9143 6.9143 6.9650 6.9650 7.0738 7.0738 7.2788 7.2788 7.3256 7.3256 7.6691 7.6691 7.7744 7.7744 7.7892 7.7892 7.8530 7.8530 7.9508 7.9508 8.0774 8.0774 8.3361 8.3361 8.5160 8.5160 k = 0.0000 0.0000 0.3778 ( 13279 PWs) bands (ev): 0.4983 0.4983 1.3759 1.3759 2.2535 2.2535 2.9182 2.9182 2.9342 2.9342 4.1485 4.1485 4.6208 4.6208 4.6502 4.6502 4.7805 4.7805 5.1717 5.1717 5.4963 5.4963 5.6318 5.6318 5.8803 5.8803 6.0965 6.0965 6.1570 6.1570 6.1765 6.1765 6.2332 6.2332 6.2914 6.2914 6.4574 6.4574 6.5362 6.5362 6.7086 6.7086 6.8356 6.8356 6.9353 6.9353 6.9698 6.9698 7.0776 7.0776 7.2899 7.2899 7.3089 7.3089 7.6698 7.6698 7.7736 7.7736 7.7874 7.7874 7.9118 7.9118 7.9778 7.9778 8.1139 8.1139 8.3380 8.3380 8.4851 8.4851 k = 0.0000 0.0000 0.4030 ( 13281 PWs) bands (ev): 0.5320 0.5320 1.3252 1.3252 2.2544 2.2544 2.9252 2.9252 2.9307 2.9307 4.1341 4.1341 4.6274 4.6274 4.6450 4.6450 4.7584 4.7584 5.2461 5.2461 5.4862 5.4862 5.6122 5.6122 5.9116 5.9116 6.0905 6.0905 6.1049 6.1049 6.1762 6.1762 6.2324 6.2324 6.3040 6.3040 6.4790 6.4790 6.5276 6.5276 6.6951 6.6951 6.8323 6.8323 6.9579 6.9579 6.9748 6.9748 7.0812 7.0812 7.2818 7.2818 7.3076 7.3076 7.6706 7.6706 7.7715 7.7715 7.7866 7.7866 7.9692 7.9692 8.0040 8.0040 8.1463 8.1463 8.3384 8.3384 8.4451 8.4451 k = 0.0000 0.0000 0.4282 ( 13290 PWs) bands (ev): 0.5641 0.5641 1.2787 1.2787 2.2558 2.2558 2.9260 2.9260 2.9324 2.9324 4.1221 4.1221 4.6331 4.6331 4.6407 4.6407 4.7395 4.7395 5.3184 5.3184 5.4778 5.4778 5.5988 5.5988 5.9387 5.9387 6.0189 6.0189 6.1111 6.1111 6.1782 6.1782 6.2303 6.2303 6.3168 6.3168 6.5000 6.5000 6.5190 6.5190 6.6815 6.6815 6.8294 6.8294 6.9749 6.9749 6.9861 6.9861 7.0845 7.0845 7.2598 7.2598 7.3169 7.3169 7.6715 7.6715 7.7686 7.7686 7.7865 7.7865 8.0247 8.0247 8.0284 8.0284 8.1739 8.1739 8.3377 8.3377 8.4035 8.4035 k = 0.0000 0.0000 0.4534 ( 13302 PWs) bands (ev): 0.5929 0.5929 1.2384 1.2384 2.2572 2.2572 2.9230 2.9230 2.9373 2.9373 4.1128 4.1128 4.6366 4.6366 4.6384 4.6384 4.7244 4.7244 5.3848 5.3848 5.4712 5.4712 5.5953 5.5953 5.9447 5.9447 5.9615 5.9615 6.1163 6.1163 6.1796 6.1796 6.2280 6.2280 6.3285 6.3285 6.5104 6.5104 6.5201 6.5201 6.6682 6.6682 6.8270 6.8270 6.9797 6.9797 7.0092 7.0092 7.0872 7.0872 7.2365 7.2365 7.3253 7.3253 7.6723 7.6723 7.7659 7.7659 7.7865 7.7865 8.0493 8.0493 8.0781 8.0781 8.1960 8.1960 8.3359 8.3359 8.3612 8.3612 k = 0.0000 0.0000 0.4786 ( 13296 PWs) bands (ev): 0.6164 0.6164 1.2066 1.2066 2.2584 2.2584 2.9205 2.9205 2.9410 2.9410 4.1061 4.1061 4.6346 4.6346 4.6413 4.6413 4.7132 4.7132 5.4367 5.4367 5.4665 5.4665 5.6084 5.6084 5.8720 5.8720 5.9775 5.9775 6.1201 6.1201 6.1805 6.1805 6.2259 6.2259 6.3381 6.3381 6.5038 6.5038 6.5370 6.5370 6.6560 6.6560 6.8253 6.8253 6.9823 6.9823 7.0318 7.0318 7.0892 7.0892 7.2144 7.2144 7.3316 7.3316 7.6729 7.6729 7.7637 7.7637 7.7867 7.7867 8.0656 8.0656 8.1292 8.1292 8.2122 8.2122 8.3171 8.3171 8.3349 8.3349 k = 0.0000 0.0000 0.5038 ( 13294 PWs) bands (ev): 0.6319 0.6319 1.1860 1.1860 2.2592 2.2592 2.9189 2.9189 2.9433 2.9433 4.1021 4.1021 4.6331 4.6331 4.6434 4.6434 4.7064 4.7064 5.4631 5.4631 5.4662 5.4662 5.6428 5.6428 5.8038 5.8038 5.9877 5.9877 6.1223 6.1223 6.1810 6.1810 6.2245 6.2245 6.3443 6.3443 6.4992 6.4992 6.5495 6.5495 6.6465 6.6465 6.8242 6.8242 6.9838 6.9838 7.0493 7.0493 7.0905 7.0905 7.1973 7.1973 7.3354 7.3354 7.6734 7.6734 7.7622 7.7622 7.7867 7.7867 8.0760 8.0760 8.1775 8.1775 8.2222 8.2222 8.2737 8.2737 8.3330 8.3330 k = 0.0000 0.0000 0.5290 ( 13306 PWs) bands (ev): 0.6374 0.6374 1.1789 1.1789 2.2595 2.2595 2.9184 2.9184 2.9441 2.9441 4.1007 4.1007 4.6326 4.6326 4.6441 4.6441 4.7041 4.7041 5.4625 5.4625 5.4738 5.4738 5.6721 5.6721 5.7647 5.7647 5.9911 5.9911 6.1231 6.1231 6.1811 6.1811 6.2240 6.2240 6.3465 6.3465 6.4976 6.4976 6.5543 6.5543 6.6427 6.6427 6.8238 6.8238 6.9843 6.9843 7.0564 7.0564 7.0909 7.0909 7.1904 7.1904 7.3368 7.3368 7.6735 7.6735 7.7617 7.7617 7.7868 7.7868 8.0796 8.0796 8.2132 8.2132 8.2279 8.2279 8.2373 8.2373 8.3324 8.3324 k = 0.0000 0.0000 0.5290 ( 13306 PWs) bands (ev): 0.6374 0.6374 1.1789 1.1789 2.2595 2.2595 2.9184 2.9184 2.9441 2.9441 4.1007 4.1007 4.6326 4.6326 4.6441 4.6441 4.7041 4.7041 5.4625 5.4625 5.4738 5.4738 5.6721 5.6721 5.7647 5.7647 5.9911 5.9911 6.1231 6.1231 6.1811 6.1811 6.2240 6.2240 6.3465 6.3465 6.4976 6.4976 6.5543 6.5543 6.6427 6.6427 6.8238 6.8238 6.9843 6.9843 7.0564 7.0564 7.0909 7.0909 7.1904 7.1904 7.3368 7.3368 7.6735 7.6735 7.7617 7.7617 7.7868 7.7868 8.0796 8.0796 8.2132 8.2132 8.2279 8.2279 8.2373 8.2373 8.3324 8.3324 k =-0.0238 0.0082 0.5290 ( 13296 PWs) bands (ev): 0.6385 0.6385 1.1804 1.1804 2.2565 2.2565 2.9046 2.9046 2.9535 2.9535 4.1030 4.1030 4.6311 4.6311 4.6393 4.6393 4.7112 4.7112 5.4650 5.4650 5.4700 5.4700 5.6733 5.6733 5.7655 5.7655 5.9877 5.9877 6.1091 6.1091 6.1956 6.1956 6.2270 6.2270 6.3470 6.3470 6.4982 6.4982 6.5606 6.5606 6.6438 6.6438 6.8232 6.8232 6.9716 6.9716 7.0689 7.0689 7.0916 7.0916 7.1902 7.1902 7.3367 7.3367 7.6732 7.6732 7.7593 7.7593 7.7871 7.7871 8.0814 8.0814 8.2109 8.2109 8.2193 8.2193 8.2469 8.2469 8.3339 8.3339 k =-0.0476 0.0164 0.5290 ( 13282 PWs) bands (ev): 0.6420 0.6420 1.1850 1.1850 2.2476 2.2476 2.8787 2.8787 2.9663 2.9663 4.1099 4.1099 4.6267 4.6267 4.6295 4.6295 4.7281 4.7281 5.4585 5.4585 5.4725 5.4725 5.6767 5.6767 5.7679 5.7679 5.9783 5.9783 6.0830 6.0830 6.2234 6.2234 6.2358 6.2358 6.3487 6.3487 6.4999 6.4999 6.5785 6.5785 6.6474 6.6474 6.8213 6.8213 6.9457 6.9457 7.0879 7.0879 7.1002 7.1002 7.1898 7.1898 7.3366 7.3366 7.6723 7.6723 7.7520 7.7520 7.7884 7.7884 8.0866 8.0866 8.1992 8.1992 8.2135 8.2135 8.2601 8.2601 8.3385 8.3385 k =-0.0714 0.0247 0.5290 ( 13278 PWs) bands (ev): 0.6478 0.6478 1.1926 1.1926 2.2330 2.2330 2.8472 2.8472 2.9764 2.9764 4.1211 4.1211 4.6186 4.6186 4.6205 4.6205 4.7496 4.7496 5.4402 5.4402 5.4846 5.4846 5.6813 5.6813 5.7721 5.7721 5.9649 5.9649 6.0549 6.0549 6.2494 6.2494 6.2544 6.2544 6.3525 6.3525 6.5022 6.5022 6.6058 6.6058 6.6538 6.6538 6.8187 6.8187 6.9166 6.9166 7.0915 7.0915 7.1283 7.1283 7.1890 7.1890 7.3365 7.3365 7.6708 7.6708 7.7403 7.7403 7.7905 7.7905 8.0949 8.0949 8.1817 8.1817 8.2095 8.2095 8.2743 8.2743 8.3462 8.3462 k =-0.0952 0.0329 0.5290 ( 13294 PWs) bands (ev): 0.6558 0.6558 1.2033 1.2033 2.2131 2.2131 2.8109 2.8109 2.9834 2.9834 4.1364 4.1364 4.6098 4.6098 4.6114 4.6114 4.7732 4.7732 5.4161 5.4161 5.5009 5.5009 5.6858 5.6858 5.7781 5.7781 5.9502 5.9502 6.0271 6.0271 6.2668 6.2668 6.2859 6.2859 6.3589 6.3589 6.5045 6.5045 6.6400 6.6400 6.6636 6.6636 6.8157 6.8157 6.8871 6.8871 7.0935 7.0935 7.1591 7.1591 7.1880 7.1880 7.3366 7.3366 7.6686 7.6686 7.7249 7.7249 7.7933 7.7933 8.1054 8.1054 8.1610 8.1610 8.2043 8.2043 8.2895 8.2895 8.3569 8.3569 k =-0.1190 0.0411 0.5290 ( 13304 PWs) bands (ev): 0.6661 0.6661 1.2170 1.2170 2.1884 2.1884 2.7702 2.7702 2.9876 2.9876 4.1554 4.1554 4.5998 4.5998 4.6041 4.6041 4.7979 4.7979 5.3872 5.3872 5.5208 5.5208 5.6881 5.6881 5.7858 5.7858 5.9377 5.9377 6.0003 6.0003 6.2864 6.2864 6.3174 6.3174 6.3681 6.3681 6.5061 6.5061 6.6765 6.6765 6.6795 6.6795 6.8133 6.8133 6.8580 6.8580 7.0956 7.0956 7.1838 7.1838 7.1929 7.1929 7.3372 7.3372 7.6659 7.6659 7.7066 7.7066 7.7962 7.7962 8.1176 8.1176 8.1373 8.1373 8.1973 8.1973 8.3060 8.3060 8.3707 8.3707 k =-0.1429 0.0493 0.5290 ( 13294 PWs) bands (ev): 0.6784 0.6784 1.2337 1.2337 2.1594 2.1594 2.7255 2.7255 2.9893 2.9893 4.1776 4.1776 4.5875 4.5875 4.6002 4.6002 4.8225 4.8225 5.3547 5.3547 5.5438 5.5438 5.6862 5.6862 5.7953 5.7953 5.9303 5.9303 5.9752 5.9752 6.3069 6.3069 6.3484 6.3484 6.3800 6.3800 6.5069 6.5069 6.6946 6.6946 6.7194 6.7194 6.8131 6.8131 6.8299 6.8299 7.0980 7.0980 7.1832 7.1832 7.2221 7.2221 7.3385 7.3385 7.6626 7.6626 7.6864 7.6864 7.7987 7.7987 8.1095 8.1095 8.1317 8.1317 8.1882 8.1882 8.3241 8.3241 8.3877 8.3877 k =-0.1667 0.0576 0.5290 ( 13278 PWs) bands (ev): 0.6928 0.6928 1.2533 1.2533 2.1267 2.1267 2.6772 2.6772 2.9890 2.9890 4.2026 4.2026 4.5741 4.5741 4.5989 4.5989 4.8464 4.8464 5.3194 5.3194 5.5691 5.5691 5.6790 5.6790 5.8063 5.8063 5.9286 5.9286 5.9532 5.9532 6.3268 6.3268 6.3783 6.3783 6.3944 6.3944 6.5073 6.5073 6.7153 6.7153 6.7572 6.7572 6.8031 6.8031 6.8193 6.8193 7.1005 7.1005 7.1805 7.1805 7.2519 7.2519 7.3410 7.3410 7.6588 7.6588 7.6650 7.6650 7.8002 7.8002 8.0790 8.0790 8.1460 8.1460 8.1767 8.1767 8.3436 8.3436 8.4077 8.4077 k =-0.1905 0.0658 0.5290 ( 13264 PWs) bands (ev): 0.7090 0.7090 1.2757 1.2757 2.0911 2.0911 2.6257 2.6257 2.9870 2.9870 4.2300 4.2300 4.5600 4.5600 4.6000 4.6000 4.8688 4.8688 5.2822 5.2822 5.5958 5.5958 5.6674 5.6674 5.8188 5.8188 5.9228 5.9228 5.9440 5.9440 6.3446 6.3446 6.4053 6.4053 6.4125 6.4125 6.5084 6.5084 6.7381 6.7381 6.7747 6.7747 6.7853 6.7853 6.8418 6.8418 7.1032 7.1032 7.1769 7.1769 7.2808 7.2808 7.3449 7.3449 7.6431 7.6431 7.6546 7.6546 7.8001 7.8001 8.0451 8.0451 8.1597 8.1597 8.1640 8.1640 8.3648 8.3648 8.4308 8.4308 k =-0.2143 0.0740 0.5290 ( 13266 PWs) bands (ev): 0.7269 0.7269 1.3010 1.3010 2.0532 2.0532 2.5716 2.5716 2.9838 2.9838 4.2591 4.2591 4.5458 4.5458 4.6033 4.6033 4.8888 4.8888 5.2438 5.2438 5.6220 5.6220 5.6542 5.6542 5.8325 5.8325 5.9062 5.9062 5.9530 5.9530 6.3586 6.3586 6.4256 6.4256 6.4373 6.4373 6.5120 6.5120 6.7515 6.7515 6.7619 6.7619 6.7971 6.7971 6.8807 6.8807 7.1063 7.1063 7.1724 7.1724 7.3083 7.3083 7.3508 7.3508 7.6214 7.6214 7.6498 7.6498 7.7976 7.7976 8.0081 8.0081 8.1459 8.1459 8.1766 8.1766 8.3877 8.3877 8.4568 8.4568 k =-0.2381 0.0822 0.5290 ( 13268 PWs) bands (ev): 0.7463 0.7463 1.3290 1.3290 2.0136 2.0136 2.5153 2.5153 2.9796 2.9796 4.2898 4.2898 4.5317 4.5317 4.6088 4.6088 4.9058 4.9058 5.2048 5.2048 5.6328 5.6328 5.6557 5.6557 5.8472 5.8472 5.8905 5.8905 5.9666 5.9666 6.3672 6.3672 6.4446 6.4446 6.4628 6.4628 6.5195 6.5195 6.7294 6.7294 6.7814 6.7814 6.8110 6.8110 6.9253 6.9253 7.1099 7.1099 7.1667 7.1667 7.3344 7.3344 7.3591 7.3591 7.6005 7.6005 7.6446 7.6446 7.7923 7.7923 7.9684 7.9684 8.1270 8.1270 8.1920 8.1920 8.4121 8.4121 8.4855 8.4855 k =-0.2619 0.0904 0.5290 ( 13278 PWs) bands (ev): 0.7670 0.7670 1.3596 1.3596 1.9731 1.9731 2.4574 2.4574 2.9749 2.9749 4.3214 4.3214 4.5181 4.5181 4.6161 4.6161 4.9190 4.9190 5.1655 5.1655 5.6223 5.6223 5.6786 5.6786 5.8619 5.8619 5.8793 5.8793 5.9807 5.9807 6.3695 6.3695 6.4644 6.4644 6.4868 6.4868 6.5318 6.5318 6.7084 6.7084 6.7967 6.7967 6.8304 6.8304 6.9706 6.9706 7.1147 7.1147 7.1599 7.1599 7.3587 7.3587 7.3702 7.3702 7.5811 7.5811 7.6390 7.6390 7.7836 7.7836 7.9266 7.9266 8.1060 8.1060 8.2074 8.2074 8.4379 8.4379 8.5169 8.5169 k =-0.2857 0.0987 0.5290 ( 13280 PWs) bands (ev): 0.7885 0.7885 1.3927 1.3927 1.9325 1.9325 2.3985 2.3985 2.9698 2.9698 4.3537 4.3537 4.5051 4.5051 4.6251 4.6251 4.9278 4.9278 5.1266 5.1266 5.6129 5.6129 5.6999 5.6999 5.8675 5.8675 5.8826 5.8826 5.9933 5.9933 6.3659 6.3659 6.4852 6.4852 6.5089 6.5089 6.5480 6.5480 6.6892 6.6892 6.8102 6.8102 6.8524 6.8524 7.0136 7.0136 7.1221 7.1221 7.1520 7.1520 7.3802 7.3802 7.3853 7.3853 7.5635 7.5635 7.6330 7.6330 7.7712 7.7712 7.8833 7.8833 8.0831 8.0831 8.2225 8.2226 8.4649 8.4649 8.5504 8.5504 k =-0.3095 0.1069 0.5290 ( 13270 PWs) bands (ev): 0.8106 0.8106 1.4281 1.4281 1.8923 1.8923 2.3390 2.3390 2.9647 2.9647 4.3862 4.3862 4.4929 4.4929 4.6355 4.6355 4.9321 4.9321 5.0881 5.0881 5.6074 5.6074 5.7159 5.7159 5.8678 5.8678 5.8983 5.8983 6.0030 6.0030 6.3579 6.3579 6.5071 6.5071 6.5291 6.5291 6.5665 6.5665 6.6718 6.6718 6.8242 6.8242 6.8740 6.8740 7.0497 7.0497 7.1342 7.1342 7.1449 7.1449 7.3982 7.3982 7.4049 7.4049 7.5482 7.5482 7.6267 7.6267 7.7550 7.7550 7.8392 7.8392 8.0588 8.0588 8.2373 8.2373 8.4925 8.4925 8.5857 8.5857 k =-0.3333 0.1151 0.5290 ( 13262 PWs) bands (ev): 0.8328 0.8328 1.4656 1.4656 1.8536 1.8536 2.2795 2.2795 2.9596 2.9596 4.4186 4.4186 4.4819 4.4819 4.6472 4.6472 4.9317 4.9317 5.0507 5.0507 5.6061 5.6061 5.7253 5.7253 5.8741 5.8741 5.9151 5.9151 6.0094 6.0094 6.3470 6.3470 6.5294 6.5294 6.5471 6.5471 6.5860 6.5860 6.6563 6.6563 6.8393 6.8393 6.8940 6.8940 7.0733 7.0733 7.1308 7.1308 7.1644 7.1644 7.4171 7.4171 7.4244 7.4244 7.5352 7.5352 7.6201 7.6201 7.7350 7.7350 7.7952 7.7952 8.0337 8.0337 8.2514 8.2514 8.5199 8.5199 8.6223 8.6223 k =-0.3571 0.1233 0.5290 ( 13268 PWs) bands (ev): 0.8545 0.8545 1.5048 1.5048 1.8170 1.8170 2.2206 2.2206 2.9549 2.9549 4.4503 4.4503 4.4720 4.4720 4.6598 4.6598 4.9273 4.9273 5.0147 5.0147 5.6087 5.6087 5.7287 5.7287 5.8860 5.8860 5.9318 5.9318 6.0124 6.0124 6.3344 6.3344 6.5515 6.5515 6.5629 6.5629 6.6053 6.6053 6.6428 6.6428 6.8548 6.8548 6.9119 6.9119 7.0851 7.0851 7.1204 7.1204 7.2015 7.2015 7.4370 7.4370 7.4430 7.4430 7.5247 7.5247 7.6133 7.6133 7.7115 7.7115 7.7524 7.7524 8.0084 8.0084 8.2645 8.2645 8.5459 8.5459 8.6593 8.6593 k =-0.3810 0.1316 0.5290 ( 13274 PWs) bands (ev): 0.8750 0.8750 1.5453 1.5453 1.7835 1.7835 2.1631 2.1631 2.9507 2.9507 4.4634 4.4634 4.4810 4.4810 4.6729 4.6729 4.9195 4.9195 4.9806 4.9806 5.6144 5.6144 5.7282 5.7282 5.9007 5.9007 5.9476 5.9476 6.0126 6.0126 6.3212 6.3212 6.5722 6.5722 6.5763 6.5763 6.6235 6.6235 6.6314 6.6314 6.8700 6.8700 6.9278 6.9278 7.0905 7.0905 7.1098 7.1098 7.2440 7.2440 7.4555 7.4555 7.4620 7.4620 7.5164 7.5164 7.6063 7.6063 7.6846 7.6846 7.7122 7.7122 7.9837 7.9837 8.2764 8.2764 8.5690 8.5690 8.6955 8.6955 k =-0.4048 0.1398 0.5290 ( 13272 PWs) bands (ev): 0.8935 0.8935 1.5861 1.5861 1.7540 1.7540 2.1080 2.1080 2.9471 2.9471 4.4563 4.4563 4.5096 4.5096 4.6861 4.6861 4.9095 4.9095 4.9492 4.9492 5.6220 5.6220 5.7259 5.7259 5.9157 5.9157 5.9618 5.9618 6.0111 6.0111 6.3084 6.3084 6.5867 6.5867 6.5911 6.5911 6.6218 6.6218 6.6402 6.6402 6.8837 6.8837 6.9420 6.9420 7.0928 7.0928 7.1000 7.1000 7.2879 7.2879 7.4706 7.4706 7.4820 7.4820 7.5104 7.5104 7.5992 7.5992 7.6541 7.6541 7.6770 7.6770 7.9606 7.9606 8.2868 8.2868 8.5875 8.5875 8.7292 8.7292 k =-0.4286 0.1480 0.5290 ( 13270 PWs) bands (ev): 0.9093 0.9093 1.6260 1.6260 1.7297 1.7297 2.0569 2.0569 2.9441 2.9441 4.4507 4.4507 4.5350 4.5350 4.6984 4.6984 4.8988 4.8988 4.9217 4.9217 5.6300 5.6300 5.7231 5.7231 5.9289 5.9289 5.9733 5.9733 6.0091 6.0091 6.2968 6.2968 6.5953 6.5953 6.6061 6.6061 6.6146 6.6146 6.6543 6.6543 6.8950 6.8950 6.9542 6.9542 7.0900 7.0900 7.0952 7.0952 7.3312 7.3312 7.4829 7.4829 7.5005 7.5005 7.5064 7.5064 7.5914 7.5914 7.6216 7.6216 7.6487 7.6487 7.9403 7.9403 8.2953 8.2953 8.6005 8.6005 8.7570 8.7570 k =-0.4524 0.1562 0.5290 ( 13282 PWs) bands (ev): 0.9213 0.9213 1.6620 1.6620 1.7114 1.7114 2.0128 2.0128 2.9420 2.9420 4.4467 4.4467 4.5556 4.5556 4.7090 4.7090 4.8887 4.8887 4.8998 4.8998 5.6371 5.6371 5.7207 5.7207 5.9391 5.9391 5.9810 5.9810 6.0083 6.0083 6.2876 6.2876 6.6012 6.6012 6.6089 6.6089 6.6178 6.6178 6.6651 6.6651 6.9032 6.9032 6.9641 6.9641 7.0837 7.0837 7.0951 7.0951 7.3716 7.3716 7.4924 7.4924 7.5035 7.5035 7.5163 7.5163 7.5764 7.5764 7.5968 7.5968 7.6273 7.6273 7.9241 7.9241 8.3016 8.3016 8.6083 8.6083 8.7719 8.7719 k =-0.4762 0.1644 0.5290 ( 13296 PWs) bands (ev): 0.9289 0.9289 1.6888 1.6888 1.7003 1.7003 1.9808 1.9808 2.9407 2.9407 4.4442 4.4442 4.5694 4.5694 4.7162 4.7162 4.8807 4.8807 4.8861 4.8861 5.6420 5.6420 5.7191 5.7191 5.9453 5.9453 5.9845 5.9845 6.0090 6.0090 6.2816 6.2816 6.6045 6.6045 6.6060 6.6060 6.6246 6.6246 6.6719 6.6719 6.9082 6.9082 6.9706 6.9706 7.0795 7.0795 7.0950 7.0950 7.4047 7.4047 7.4977 7.4977 7.5044 7.5044 7.5260 7.5260 7.5501 7.5501 7.5891 7.5891 7.6138 7.6138 7.9135 7.9135 8.3055 8.3055 8.6122 8.6122 8.7775 8.7775 k =-0.5000 0.1727 0.5290 ( 13324 PWs) bands (ev): 0.9315 0.9315 1.6953 1.6953 1.7005 1.7005 1.9687 1.9687 2.9402 2.9402 4.4434 4.4434 4.5743 4.5743 4.7188 4.7188 4.8771 4.8771 4.8821 4.8821 5.6437 5.6437 5.7185 5.7185 5.9475 5.9475 5.9854 5.9854 6.0095 6.0095 6.2795 6.2795 6.6045 6.6045 6.6062 6.6062 6.6270 6.6270 6.6743 6.6743 6.9098 6.9098 6.9729 6.9729 7.0780 7.0780 7.0950 7.0950 7.4191 7.4191 7.4987 7.4987 7.5070 7.5070 7.5282 7.5282 7.5367 7.5367 7.5873 7.5873 7.6091 7.6091 7.9098 7.9098 8.3068 8.3068 8.6133 8.6133 8.7794 8.7794 k =-0.5000 0.1727 0.5290 ( 13324 PWs) bands (ev): 0.9315 0.9315 1.6953 1.6953 1.7005 1.7005 1.9687 1.9687 2.9402 2.9402 4.4434 4.4434 4.5743 4.5743 4.7188 4.7188 4.8771 4.8771 4.8821 4.8821 5.6437 5.6437 5.7185 5.7185 5.9475 5.9475 5.9854 5.9854 6.0095 6.0095 6.2795 6.2795 6.6045 6.6045 6.6062 6.6062 6.6270 6.6270 6.6743 6.6743 6.9098 6.9098 6.9729 6.9729 7.0780 7.0780 7.0950 7.0950 7.4191 7.4191 7.4987 7.4987 7.5070 7.5070 7.5282 7.5282 7.5367 7.5367 7.5873 7.5873 7.6091 7.6091 7.9098 7.9098 8.3068 8.3068 8.6133 8.6133 8.7794 8.7794 k =-0.4828 0.1667 0.5107 ( 13292 PWs) bands (ev): 0.9288 0.9288 1.6890 1.6890 1.6999 1.6999 1.9814 1.9814 2.9407 2.9407 4.4443 4.4443 4.5692 4.5692 4.7161 4.7161 4.8810 4.8810 4.8862 4.8862 5.6419 5.6419 5.7191 5.7191 5.9452 5.9452 5.9842 5.9842 6.0092 6.0092 6.2817 6.2817 6.6043 6.6043 6.6063 6.6063 6.6245 6.6245 6.6718 6.6718 6.9081 6.9081 6.9706 6.9706 7.0795 7.0795 7.0950 7.0950 7.4038 7.4038 7.4979 7.4979 7.5039 7.5039 7.5283 7.5283 7.5486 7.5486 7.5892 7.5892 7.6140 7.6140 7.9137 7.9137 8.3054 8.3054 8.6122 8.6122 8.7774 8.7774 k =-0.4655 0.1608 0.4925 ( 13284 PWs) bands (ev): 0.9206 0.9206 1.6689 1.6689 1.7035 1.7035 2.0152 2.0152 2.9421 2.9421 4.4468 4.4468 4.5549 4.5549 4.7088 4.7088 4.8904 4.8904 4.8989 4.8989 5.6372 5.6372 5.7210 5.7210 5.9382 5.9382 5.9754 5.9754 6.0137 6.0137 6.2879 6.2879 6.6028 6.6028 6.6072 6.6072 6.6174 6.6174 6.6645 6.6645 6.9030 6.9030 6.9639 6.9639 7.0840 7.0840 7.0951 7.0951 7.3690 7.3690 7.4944 7.4944 7.5011 7.5011 7.5195 7.5195 7.5750 7.5750 7.5966 7.5966 7.6282 7.6282 7.9249 7.9249 8.3012 8.3012 8.6085 8.6085 8.7714 8.7714 k =-0.4483 0.1548 0.4743 ( 13266 PWs) bands (ev): 0.9069 0.9069 1.6437 1.6437 1.7102 1.7102 2.0624 2.0624 2.9443 2.9443 4.4511 4.4511 4.5338 4.5338 4.6988 4.6988 4.9017 4.9017 4.9190 4.9190 5.6314 5.6314 5.7240 5.7240 5.9262 5.9262 5.9565 5.9565 6.0256 6.0256 6.2971 6.2971 6.5993 6.5993 6.6063 6.6063 6.6093 6.6093 6.6528 6.6528 6.8950 6.8950 6.9539 6.9539 7.0907 7.0907 7.0953 7.0953 7.3265 7.3265 7.4881 7.4881 7.4997 7.4997 7.5054 7.5054 7.5911 7.5911 7.6197 7.6197 7.6502 7.6502 7.9422 7.9422 8.2943 8.2943 8.6014 8.6014 8.7586 8.7586 k =-0.4310 0.1488 0.4560 ( 13266 PWs) bands (ev): 0.8879 0.8879 1.6191 1.6191 1.7196 1.7196 2.1174 2.1174 2.9474 2.9474 4.4569 4.4569 4.5084 4.5084 4.6879 4.6879 4.9121 4.9121 4.9444 4.9444 5.6269 5.6269 5.7283 5.7283 5.9089 5.9089 5.9311 5.9311 6.0415 6.0415 6.3081 6.3081 6.5894 6.5894 6.5960 6.5960 6.6122 6.6122 6.6371 6.6371 6.8850 6.8850 6.9416 6.9416 7.0935 7.0935 7.1009 7.1009 7.2808 7.2808 7.4798 7.4798 7.4881 7.4881 7.4993 7.4993 7.5995 7.5995 7.6508 7.6508 7.6782 7.6782 7.9643 7.9643 8.2845 8.2845 8.5895 8.5895 8.7350 8.7350 k =-0.4138 0.1429 0.4378 ( 13264 PWs) bands (ev): 0.8637 0.8637 1.5981 1.5981 1.7317 1.7317 2.1767 2.1767 2.9513 2.9513 4.4643 4.4643 4.4812 4.4812 4.6769 4.6769 4.9190 4.9190 4.9733 4.9733 5.6255 5.6255 5.7337 5.7337 5.8845 5.8845 5.9040 5.9040 6.0583 6.0583 6.3198 6.3198 6.5719 6.5719 6.5883 6.5883 6.6160 6.6160 6.6187 6.6187 6.8738 6.8738 6.9277 6.9277 7.0922 7.0922 7.1112 7.1112 7.2338 7.2338 7.4638 7.4638 7.4769 7.4769 7.4982 7.4982 7.6069 7.6069 7.6808 7.6808 7.7097 7.7097 7.9899 7.9899 8.2720 8.2720 8.5719 8.5719 8.7053 8.7053 k =-0.3966 0.1369 0.4195 ( 13278 PWs) bands (ev): 0.8348 0.8348 1.5821 1.5821 1.7464 1.7464 2.2383 2.2383 2.9558 2.9558 4.4532 4.4532 4.4735 4.4735 4.6665 4.6665 4.9208 4.9208 5.0048 5.0048 5.6286 5.6286 5.7402 5.7402 5.8515 5.8515 5.8790 5.8790 6.0738 6.0738 6.3313 6.3313 6.5524 6.5524 6.5781 6.5781 6.5986 6.5986 6.6208 6.6208 6.8624 6.8624 6.9125 6.9125 7.0899 7.0899 7.1215 7.1215 7.1870 7.1870 7.4425 7.4425 7.4715 7.4715 7.4970 7.4970 7.6141 7.6141 7.7076 7.7076 7.7423 7.7423 8.0186 8.0186 8.2567 8.2567 8.5477 8.5477 8.6730 8.6730 k =-0.3793 0.1310 0.4013 ( 13274 PWs) bands (ev): 0.8018 0.8018 1.5716 1.5716 1.7638 1.7638 2.3005 2.3005 2.9609 2.9609 4.4264 4.4264 4.4839 4.4839 4.6569 4.6569 4.9165 4.9165 5.0378 5.0378 5.6367 5.6367 5.7478 5.7478 5.8136 5.8136 5.8548 5.8548 6.0861 6.0861 6.3418 6.3418 6.5327 6.5327 6.5642 6.5642 6.5791 6.5791 6.6264 6.6264 6.8511 6.8511 6.8960 6.8960 7.0866 7.0866 7.1280 7.1280 7.1441 7.1441 7.4201 7.4201 7.4693 7.4693 7.4955 7.4955 7.6210 7.6210 7.7300 7.7300 7.7734 7.7734 8.0504 8.0504 8.2387 8.2387 8.5171 8.5171 8.6398 8.6398 k =-0.3621 0.1250 0.3830 ( 13268 PWs) bands (ev): 0.7655 0.7655 1.5663 1.5663 1.7837 1.7837 2.3624 2.3624 2.9663 2.9663 4.4014 4.4014 4.4957 4.4957 4.6481 4.6481 4.9061 4.9061 5.0714 5.0714 5.6491 5.6491 5.7564 5.7564 5.7740 5.7740 5.8304 5.8304 6.0941 6.0941 6.3502 6.3502 6.5143 6.5143 6.5467 6.5467 6.5613 6.5613 6.6329 6.6329 6.8397 6.8397 6.8786 6.8786 7.0813 7.0813 7.0968 7.0968 7.1397 7.1397 7.3980 7.3980 7.4711 7.4711 7.4937 7.4937 7.6274 7.6274 7.7471 7.7471 7.8006 7.8006 8.0858 8.0858 8.2182 8.2182 8.4803 8.4803 8.6067 8.6067 k =-0.3448 0.1191 0.3648 ( 13276 PWs) bands (ev): 0.7268 0.7268 1.5662 1.5662 1.8061 1.8061 2.4229 2.4229 2.9720 2.9720 4.3790 4.3790 4.5086 4.5086 4.6401 4.6401 4.8902 4.8902 5.1044 5.1044 5.6641 5.6641 5.7353 5.7353 5.7659 5.7659 5.8062 5.8062 6.0973 6.0973 6.3555 6.3555 6.4986 6.4986 6.5281 6.5281 6.5442 6.5442 6.6402 6.6402 6.8264 6.8264 6.8621 6.8621 7.0545 7.0545 7.0793 7.0793 7.1422 7.1422 7.3764 7.3764 7.4777 7.4777 7.4914 7.4914 7.6334 7.6334 7.7585 7.7585 7.8221 7.8221 8.1252 8.1252 8.1953 8.1953 8.4383 8.4383 8.5744 8.5744 k =-0.3276 0.1131 0.3466 ( 13280 PWs) bands (ev): 0.6864 0.6864 1.5705 1.5705 1.8309 1.8309 2.4810 2.4810 2.9777 2.9777 4.3599 4.3599 4.5226 4.5226 4.6325 4.6325 4.8699 4.8699 5.1352 5.1352 5.6793 5.6793 5.7001 5.7001 5.7759 5.7759 5.7828 5.7828 6.0961 6.0961 6.3557 6.3557 6.4868 6.4868 6.5107 6.5107 6.5271 6.5271 6.6484 6.6484 6.8077 6.8077 6.8496 6.8496 7.0198 7.0198 7.0729 7.0729 7.1407 7.1407 7.3560 7.3560 7.4869 7.4869 7.4910 7.4910 7.6388 7.6388 7.7635 7.7635 7.8369 7.8369 8.1658 8.1658 8.1731 8.1731 8.3919 8.3919 8.5432 8.5432 k =-0.3103 0.1072 0.3283 ( 13264 PWs) bands (ev): 0.6452 0.6452 1.5788 1.5788 1.8582 1.8582 2.5360 2.5360 2.9833 2.9833 4.3446 4.3446 4.5376 4.5376 4.6252 4.6252 4.8462 4.8462 5.1616 5.1616 5.6694 5.6694 5.6937 5.6937 5.7597 5.7597 5.7878 5.7878 6.0922 6.0922 6.3493 6.3493 6.4792 6.4792 6.4934 6.4934 6.5129 6.5129 6.6576 6.6576 6.7826 6.7826 6.8425 6.8425 6.9898 6.9898 7.0662 7.0662 7.1349 7.1349 7.3369 7.3369 7.4843 7.4843 7.5065 7.5065 7.6436 7.6436 7.7618 7.7618 7.8452 7.8452 8.1426 8.1426 8.2164 8.2164 8.3422 8.3422 8.5135 8.5135 k =-0.2931 0.1012 0.3101 ( 13266 PWs) bands (ev): 0.6037 0.6037 1.5906 1.5906 1.8877 1.8877 2.5871 2.5871 2.9883 2.9883 4.3335 4.3335 4.5532 4.5532 4.6178 4.6178 4.8203 4.8203 5.1811 5.1811 5.6494 5.6494 5.7011 5.7011 5.7397 5.7397 5.7996 5.7996 6.0879 6.0879 6.3358 6.3358 6.4686 6.4686 6.4805 6.4805 6.5049 6.5049 6.6676 6.6676 6.7531 6.7531 6.8393 6.8393 6.9648 6.9648 7.0588 7.0588 7.1251 7.1251 7.3194 7.3194 7.4798 7.4798 7.5269 7.5269 7.6478 7.6478 7.7534 7.7534 7.8478 7.8478 8.1142 8.1142 8.2656 8.2656 8.2911 8.2911 8.4854 8.4854 k =-0.2759 0.0953 0.2918 ( 13278 PWs) bands (ev): 0.5626 0.5626 1.6052 1.6052 1.9194 1.9194 2.6338 2.6338 2.9926 2.9926 4.3268 4.3268 4.5693 4.5693 4.6100 4.6100 4.7930 4.7930 5.1916 5.1916 5.6413 5.6413 5.6994 5.6994 5.7242 5.7242 5.8120 5.8120 6.0853 6.0853 6.3164 6.3164 6.4450 6.4450 6.4809 6.4809 6.5024 6.5024 6.6786 6.6786 6.7214 6.7214 6.8388 6.8388 6.9443 6.9443 7.0510 7.0510 7.1123 7.1123 7.3035 7.3035 7.4741 7.4741 7.5504 7.5504 7.6514 7.6514 7.7384 7.7384 7.8458 7.8458 8.0847 8.0847 8.2361 8.2361 8.3191 8.3191 8.4591 8.4591 k =-0.2586 0.0893 0.2736 ( 13290 PWs) bands (ev): 0.5224 0.5224 1.6224 1.6224 1.9531 1.9531 2.6755 2.6755 2.9958 2.9958 4.3245 4.3245 4.5857 4.5857 4.6015 4.6015 4.7652 4.7652 5.1920 5.1920 5.6464 5.6464 5.6883 5.6883 5.7131 5.7131 5.8249 5.8249 6.0858 6.0858 6.2934 6.2934 6.4178 6.4178 6.4849 6.4849 6.5038 6.5038 6.6891 6.6891 6.6906 6.6906 6.8400 6.8400 6.9275 6.9275 7.0429 7.0429 7.0972 7.0972 7.2895 7.2895 7.4670 7.4670 7.5757 7.5757 7.6540 7.6540 7.7173 7.7173 7.8405 7.8405 8.0547 8.0547 8.1822 8.1822 8.3716 8.3716 8.4346 8.4346 k =-0.2414 0.0834 0.2554 ( 13297 PWs) bands (ev): 0.4835 0.4835 1.6415 1.6415 1.9888 1.9888 2.7118 2.7118 2.9975 2.9975 4.3267 4.3267 4.5918 4.5918 4.6024 4.6024 4.7376 4.7376 5.1834 5.1834 5.6620 5.6620 5.6750 5.6750 5.7020 5.7020 5.8380 5.8380 6.0890 6.0890 6.2686 6.2686 6.3883 6.3883 6.4902 6.4902 6.5077 6.5077 6.6578 6.6578 6.7034 6.7034 6.8424 6.8424 6.9138 6.9138 7.0352 7.0352 7.0808 7.0808 7.2773 7.2773 7.4584 7.4584 7.6019 7.6019 7.6550 7.6550 7.6916 7.6916 7.8327 7.8327 8.0250 8.0250 8.1282 8.1282 8.4117 8.4117 8.4239 8.4239 k =-0.2241 0.0774 0.2371 ( 13307 PWs) bands (ev): 0.4463 0.4463 1.6622 1.6622 2.0264 2.0264 2.7426 2.7426 2.9975 2.9975 4.3330 4.3330 4.5812 4.5812 4.6187 4.6187 4.7106 4.7106 5.1686 5.1686 5.6587 5.6587 5.6758 5.6758 5.7033 5.7033 5.8512 5.8512 6.0937 6.0937 6.2438 6.2438 6.3570 6.3570 6.4955 6.4955 6.5132 6.5132 6.6283 6.6283 6.7172 6.7172 6.8455 6.8455 6.9026 6.9026 7.0281 7.0281 7.0637 7.0637 7.2668 7.2668 7.4478 7.4478 7.6268 7.6268 7.6479 7.6479 7.6698 7.6698 7.8233 7.8233 7.9961 7.9961 8.0748 8.0748 8.3910 8.3910 8.4714 8.4714 k =-0.2069 0.0714 0.2189 ( 13301 PWs) bands (ev): 0.4109 0.4109 1.6840 1.6840 2.0655 2.0655 2.7679 2.7679 2.9953 2.9953 4.3428 4.3428 4.5695 4.5695 4.6346 4.6346 4.6848 4.6848 5.1501 5.1501 5.6437 5.6437 5.6656 5.6656 5.7344 5.7344 5.8645 5.8645 6.0981 6.0981 6.2204 6.2204 6.3240 6.3240 6.4988 6.4988 6.5199 6.5199 6.6023 6.6023 6.7320 6.7320 6.8488 6.8488 6.8937 6.8937 7.0222 7.0222 7.0467 7.0467 7.2581 7.2581 7.4351 7.4351 7.6131 7.6131 7.6564 7.6564 7.6658 7.6658 7.8131 7.8131 7.9688 7.9688 8.0224 8.0224 8.3720 8.3720 8.4873 8.4873 k =-0.1897 0.0655 0.2006 ( 13285 PWs) bands (ev): 0.3777 0.3777 1.7065 1.7065 2.1061 2.1061 2.7879 2.7879 2.9907 2.9907 4.3554 4.3554 4.5569 4.5569 4.6496 4.6496 4.6607 4.6607 5.1303 5.1303 5.6261 5.6261 5.6565 5.6565 5.7737 5.7737 5.8776 5.8776 6.1010 6.1010 6.1999 6.1999 6.2898 6.2898 6.4966 6.4966 6.5275 6.5275 6.5825 6.5825 6.7478 6.7478 6.8520 6.8520 6.8866 6.8866 7.0171 7.0171 7.0312 7.0312 7.2510 7.2510 7.4200 7.4200 7.5746 7.5746 7.6653 7.6653 7.6816 7.6816 7.8024 7.8024 7.9433 7.9433 7.9716 7.9716 8.3548 8.3548 8.4722 8.4722 k =-0.1724 0.0595 0.1824 ( 13285 PWs) bands (ev): 0.3469 0.3469 1.7293 1.7293 2.1478 2.1478 2.8030 2.8030 2.9833 2.9833 4.3700 4.3700 4.5438 4.5438 4.6377 4.6377 4.6644 4.6644 5.1106 5.1106 5.6073 5.6073 5.6521 5.6521 5.8152 5.8152 5.8904 5.8904 6.1013 6.1013 6.1837 6.1837 6.2544 6.2544 6.4859 6.4859 6.5354 6.5354 6.5714 6.5714 6.7645 6.7645 6.8550 6.8550 6.8812 6.8812 7.0080 7.0080 7.0227 7.0227 7.2454 7.2454 7.4025 7.4025 7.5328 7.5328 7.6659 7.6659 7.7052 7.7052 7.7918 7.7918 7.9181 7.9181 7.9248 7.9248 8.3392 8.3392 8.4546 8.4546 k =-0.1552 0.0536 0.1642 ( 13301 PWs) bands (ev): 0.3186 0.3186 1.7520 1.7520 2.1905 2.1905 2.8137 2.8137 2.9729 2.9729 4.3856 4.3856 4.5308 4.5308 4.6171 4.6171 4.6776 4.6776 5.0917 5.0917 5.5897 5.5897 5.6521 5.6521 5.8563 5.8563 5.9030 5.9030 6.0988 6.0988 6.1732 6.1732 6.2182 6.2182 6.4673 6.4673 6.5427 6.5427 6.5678 6.5678 6.7820 6.7820 6.8575 6.8575 6.8774 6.8774 6.9942 6.9942 7.0228 7.0228 7.2412 7.2412 7.3827 7.3827 7.4897 7.4897 7.6664 7.6664 7.7270 7.7270 7.7816 7.7816 7.8742 7.8742 7.9016 7.9016 8.3254 8.3254 8.4375 8.4375 k =-0.1379 0.0476 0.1459 ( 13297 PWs) bands (ev): 0.2929 0.2929 1.7741 1.7741 2.2336 2.2336 2.8207 2.8207 2.9594 2.9594 4.4012 4.4012 4.5182 4.5182 4.5985 4.5985 4.6897 4.6897 5.0740 5.0740 5.5747 5.5747 5.6559 5.6559 5.8938 5.8938 5.9158 5.9158 6.0936 6.0936 6.1696 6.1696 6.1817 6.1817 6.4447 6.4447 6.5486 6.5486 6.5680 6.5680 6.8002 6.8002 6.8597 6.8597 6.8750 6.8750 6.9803 6.9803 7.0268 7.0268 7.2383 7.2383 7.3608 7.3608 7.4469 7.4469 7.6666 7.6666 7.7458 7.7458 7.7730 7.7730 7.8295 7.8295 7.8846 7.8846 8.3132 8.3132 8.4216 8.4216 k =-0.1207 0.0417 0.1277 ( 13299 PWs) bands (ev): 0.2700 0.2700 1.7951 1.7951 2.2769 2.2769 2.8246 2.8246 2.9430 2.9430 4.4160 4.4160 4.5068 4.5068 4.5821 4.5821 4.7004 4.7004 5.0577 5.0577 5.5632 5.5632 5.6633 5.6633 5.9198 5.9198 5.9346 5.9346 6.0861 6.0861 6.1448 6.1448 6.1744 6.1744 6.4208 6.4208 6.5526 6.5526 6.5692 6.5692 6.8188 6.8188 6.8616 6.8616 6.8742 6.8742 6.9675 6.9675 7.0333 7.0333 7.2365 7.2365 7.3373 7.3373 7.4054 7.4054 7.6667 7.6667 7.7542 7.7542 7.7733 7.7733 7.7877 7.7877 7.8707 7.8707 8.3025 8.3025 8.4071 8.4071 k =-0.1034 0.0357 0.1094 ( 13281 PWs) bands (ev): 0.2500 0.2500 1.8147 1.8147 2.3196 2.3196 2.8260 2.8260 2.9239 2.9239 4.4293 4.4293 4.4970 4.4970 4.5679 4.5679 4.7097 4.7097 5.0428 5.0428 5.5552 5.5552 5.6740 5.6740 5.9320 5.9320 5.9603 5.9603 6.0769 6.0769 6.1087 6.1087 6.1870 6.1870 6.3970 6.3970 6.5546 6.5546 6.5698 6.5698 6.8371 6.8371 6.8633 6.8633 6.8750 6.8750 6.9561 6.9561 7.0415 7.0415 7.2356 7.2356 7.3128 7.3128 7.3664 7.3664 7.6667 7.6667 7.7473 7.7473 7.7507 7.7507 7.7858 7.7858 7.8596 7.8596 8.2934 8.2934 8.3941 8.3941 k =-0.0862 0.0298 0.0912 ( 13277 PWs) bands (ev): 0.2330 0.2330 1.8322 1.8322 2.3610 2.3610 2.8258 2.8258 2.9027 2.9027 4.4403 4.4403 4.4892 4.4892 4.5559 4.5559 4.7175 4.7175 5.0294 5.0294 5.5507 5.5507 5.6874 5.6874 5.9409 5.9409 5.9820 5.9820 6.0667 6.0667 6.0736 6.0736 6.2059 6.2059 6.3748 6.3748 6.5550 6.5550 6.5692 6.5692 6.8536 6.8536 6.8651 6.8651 6.8782 6.8782 6.9465 6.9465 7.0504 7.0504 7.2355 7.2355 7.2882 7.2882 7.3309 7.3309 7.6666 7.6666 7.7147 7.7147 7.7418 7.7418 7.7985 7.7985 7.8513 7.8513 8.2857 8.2857 8.3829 8.3829 k =-0.0690 0.0238 0.0730 ( 13287 PWs) bands (ev): 0.2189 0.2189 1.8473 1.8473 2.3999 2.3999 2.8245 2.8245 2.8805 2.8805 4.4486 4.4486 4.4837 4.4837 4.5461 4.5461 4.7239 4.7239 5.0179 5.0179 5.5490 5.5490 5.7027 5.7027 5.9481 5.9481 5.9990 5.9990 6.0406 6.0406 6.0565 6.0565 6.2276 6.2276 6.3553 6.3553 6.5540 6.5540 6.5672 6.5672 6.8631 6.8631 6.8688 6.8688 6.8862 6.8862 6.9387 6.9387 7.0592 7.0592 7.2360 7.2360 7.2647 7.2647 7.3000 7.3000 7.6664 7.6664 7.6854 7.6854 7.7350 7.7350 7.8088 7.8088 7.8454 7.8454 8.2795 8.2795 8.3734 8.3734 k =-0.0517 0.0179 0.0547 ( 13295 PWs) bands (ev): 0.2080 0.2080 1.8596 1.8596 2.4347 2.4347 2.8227 2.8227 2.8588 2.8588 4.4538 4.4538 4.4808 4.4808 4.5385 4.5385 4.7287 4.7287 5.0085 5.0085 5.5492 5.5492 5.7188 5.7188 5.9537 5.9537 6.0072 6.0072 6.0157 6.0157 6.0474 6.0474 6.2476 6.2476 6.3406 6.3406 6.5521 6.5521 6.5643 6.5643 6.8653 6.8653 6.8735 6.8735 6.8986 6.8986 6.9329 6.9329 7.0671 7.0671 7.2366 7.2366 7.2435 7.2435 7.2746 7.2746 7.6614 7.6614 7.6664 7.6664 7.7295 7.7295 7.8162 7.8162 7.8421 7.8421 8.2746 8.2746 8.3660 8.3660 k =-0.0345 0.0119 0.0365 ( 13305 PWs) bands (ev): 0.2001 0.2001 1.8686 1.8686 2.4632 2.4632 2.8204 2.8204 2.8402 2.8402 4.4562 4.4562 4.4801 4.4801 4.5331 4.5331 4.7322 4.7322 5.0014 5.0014 5.5504 5.5504 5.7337 5.7337 5.9576 5.9576 5.9852 5.9852 6.0226 6.0226 6.0404 6.0404 6.2609 6.2609 6.3330 6.3330 6.5496 6.5496 6.5612 6.5612 6.8661 6.8661 6.8765 6.8765 6.9100 6.9100 6.9295 6.9295 7.0732 7.0732 7.2262 7.2262 7.2370 7.2370 7.2561 7.2561 7.6439 7.6439 7.6661 7.6661 7.7253 7.7253 7.8204 7.8204 7.8411 7.8411 8.2712 8.2712 8.3606 8.3606 k =-0.0172 0.0060 0.0182 ( 13303 PWs) bands (ev): 0.1954 0.1954 1.8742 1.8742 2.4823 2.4823 2.8174 2.8174 2.8286 2.8286 4.4569 4.4569 4.4804 4.4804 4.5299 4.5299 4.7343 4.7343 4.9971 4.9971 5.5515 5.5515 5.7448 5.7448 5.9587 5.9587 5.9696 5.9696 6.0271 6.0271 6.0372 6.0372 6.2662 6.2662 6.3321 6.3321 6.5474 6.5474 6.5591 6.5591 6.8665 6.8665 6.8783 6.8783 6.9163 6.9163 6.9294 6.9294 7.0770 7.0770 7.2148 7.2148 7.2360 7.2360 7.2459 7.2459 7.6331 7.6331 7.6660 7.6660 7.7227 7.7227 7.8220 7.8220 7.8415 7.8415 8.2692 8.2692 8.3573 8.3573 k = 0.0000 0.0000 0.0000 ( 13295 PWs) bands (ev): 0.1938 0.1938 1.8760 1.8760 2.4891 2.4891 2.8151 2.8151 2.8255 2.8255 4.4570 4.4570 4.4807 4.4807 4.5288 4.5288 4.7349 4.7349 4.9956 4.9956 5.5520 5.5520 5.7490 5.7490 5.9573 5.9573 5.9657 5.9657 6.0277 6.0277 6.0371 6.0371 6.2672 6.2672 6.3329 6.3329 6.5464 6.5464 6.5583 6.5583 6.8667 6.8667 6.8790 6.8790 6.9177 6.9177 6.9302 6.9302 7.0784 7.0784 7.2108 7.2108 7.2346 7.2346 7.2435 7.2435 7.6294 7.6294 7.6660 7.6660 7.7219 7.7219 7.8224 7.8224 7.8418 7.8418 8.2685 8.2685 8.3562 8.3562 k = 0.0000 0.0000 0.0000 ( 13295 PWs) bands (ev): 0.1938 0.1938 1.8760 1.8760 2.4891 2.4891 2.8151 2.8151 2.8255 2.8255 4.4570 4.4570 4.4807 4.4807 4.5288 4.5288 4.7349 4.7349 4.9956 4.9956 5.5520 5.5520 5.7490 5.7490 5.9573 5.9573 5.9657 5.9657 6.0277 6.0277 6.0371 6.0371 6.2672 6.2672 6.3329 6.3329 6.5464 6.5464 6.5583 6.5583 6.8667 6.8667 6.8790 6.8790 6.9177 6.9177 6.9302 6.9302 7.0784 7.0784 7.2108 7.2108 7.2346 7.2346 7.2435 7.2435 7.6294 7.6294 7.6660 7.6660 7.7219 7.7219 7.8224 7.8224 7.8418 7.8418 8.2685 8.2685 8.3562 8.3562 k = 0.0084 0.0242-0.0000 ( 13303 PWs) bands (ev): 0.1955 0.1955 1.8768 1.8768 2.4898 2.4898 2.8157 2.8157 2.8261 2.8261 4.4562 4.4562 4.4798 4.4798 4.5307 4.5307 4.7023 4.7023 5.0262 5.0262 5.5529 5.5529 5.7413 5.7413 5.9590 5.9590 5.9674 5.9674 6.0279 6.0279 6.0373 6.0373 6.2703 6.2703 6.3360 6.3360 6.5449 6.5449 6.5562 6.5562 6.8694 6.8694 6.8802 6.8802 6.9171 6.9171 6.9291 6.9291 7.0790 7.0790 7.2079 7.2079 7.2365 7.2365 7.2454 7.2454 7.6330 7.6330 7.6660 7.6660 7.7219 7.7219 7.8225 7.8225 7.8419 7.8419 8.2688 8.2688 8.3546 8.3546 k = 0.0167 0.0485-0.0000 ( 13287 PWs) bands (ev): 0.2005 0.2005 1.8791 1.8791 2.4919 2.4919 2.8174 2.8174 2.8278 2.8278 4.4540 4.4540 4.4771 4.4771 4.5362 4.5362 4.6293 4.6293 5.0928 5.0928 5.5556 5.5556 5.7191 5.7191 5.9638 5.9638 5.9726 5.9726 6.0286 6.0286 6.0377 6.0377 6.2793 6.2793 6.3454 6.3454 6.5403 6.5403 6.5502 6.5502 6.8773 6.8773 6.8835 6.8835 6.9155 6.9155 6.9257 6.9257 7.0808 7.0808 7.1995 7.1995 7.2422 7.2422 7.2513 7.2513 7.6438 7.6438 7.6659 7.6659 7.7221 7.7221 7.8228 7.8228 7.8421 7.8421 8.2696 8.2696 8.3497 8.3497 k = 0.0251 0.0727-0.0000 ( 13291 PWs) bands (ev): 0.2088 0.2088 1.8829 1.8829 2.4955 2.4955 2.8202 2.8202 2.8306 2.8306 4.4502 4.4502 4.4726 4.4726 4.5342 4.5342 4.5526 4.5526 5.1701 5.1701 5.5600 5.5600 5.6840 5.6840 5.9717 5.9717 5.9811 5.9811 6.0296 6.0296 6.0383 6.0383 6.2929 6.2929 6.3611 6.3611 6.5328 6.5328 6.5403 6.5403 6.8881 6.8881 6.8901 6.8901 6.9136 6.9136 6.9211 6.9211 7.0840 7.0840 7.1856 7.1856 7.2515 7.2515 7.2607 7.2607 7.6614 7.6614 7.6658 7.6658 7.7225 7.7225 7.8234 7.8234 7.8425 7.8425 8.2709 8.2709 8.3417 8.3417 k = 0.0335 0.0969-0.0000 ( 13283 PWs) bands (ev): 0.2204 0.2204 1.8882 1.8882 2.5005 2.5005 2.8240 2.8240 2.8344 2.8344 4.4439 4.4439 4.4451 4.4451 4.4673 4.4673 4.5610 4.5610 5.2489 5.2489 5.5660 5.5660 5.6386 5.6386 5.9820 5.9820 5.9927 5.9927 6.0313 6.0313 6.0391 6.0391 6.3098 6.3098 6.3833 6.3833 6.5227 6.5227 6.5271 6.5271 6.8918 6.8918 6.9035 6.9035 6.9132 6.9132 6.9197 6.9197 7.0884 7.0884 7.1668 7.1668 7.2639 7.2639 7.2733 7.2733 7.6656 7.6656 7.6854 7.6854 7.7229 7.7229 7.8242 7.8242 7.8431 7.8431 8.2725 8.2725 8.3307 8.3307 k = 0.0418 0.1212-0.0000 ( 13283 PWs) bands (ev): 0.2353 0.2353 1.8949 1.8949 2.5070 2.5070 2.8288 2.8288 2.8392 2.8392 4.3466 4.3466 4.4388 4.4388 4.4596 4.4596 4.5780 4.5780 5.3257 5.3257 5.5710 5.5710 5.5877 5.5877 5.9936 5.9936 6.0067 6.0067 6.0341 6.0341 6.0402 6.0402 6.3290 6.3290 6.4120 6.4120 6.5103 6.5103 6.5113 6.5113 6.8922 6.8922 6.9021 6.9021 6.9167 6.9167 6.9374 6.9374 7.0941 7.0941 7.1435 7.1435 7.2791 7.2791 7.2886 7.2886 7.6652 7.6652 7.7148 7.7148 7.7237 7.7237 7.8253 7.8253 7.8440 7.8440 8.2738 8.2738 8.3175 8.3175 k = 0.0502 0.1454-0.0000 ( 13283 PWs) bands (ev): 0.2535 0.2535 1.9032 1.9032 2.5147 2.5147 2.8344 2.8344 2.8447 2.8447 4.2471 4.2471 4.4313 4.4313 4.4509 4.4509 4.5987 4.5987 5.3989 5.3989 5.5225 5.5225 5.5854 5.5854 6.0033 6.0033 6.0202 6.0202 6.0399 6.0399 6.0443 6.0443 6.3497 6.3497 6.4472 6.4472 6.4932 6.4932 6.4969 6.4969 6.8894 6.8894 6.8953 6.8953 6.9235 6.9235 6.9646 6.9646 7.1011 7.1011 7.1171 7.1171 7.2966 7.2966 7.3061 7.3061 7.6647 7.6647 7.7238 7.7238 7.7496 7.7496 7.8268 7.8268 7.8453 7.8453 8.2727 8.2727 8.3044 8.3044 k = 0.0586 0.1696-0.0000 ( 13307 PWs) bands (ev): 0.2749 0.2749 1.9128 1.9128 2.5239 2.5239 2.8406 2.8406 2.8510 2.8510 4.1466 4.1466 4.4230 4.4230 4.4412 4.4412 4.6230 4.6230 5.4574 5.4574 5.4676 5.4676 5.5965 5.5965 6.0072 6.0072 6.0251 6.0251 6.0530 6.0530 6.0579 6.0579 6.3717 6.3717 6.4747 6.4747 6.4811 6.4811 6.4903 6.4903 6.8854 6.8854 6.8882 6.8882 6.9316 6.9316 6.9933 6.9933 7.0912 7.0912 7.1094 7.1094 7.3160 7.3160 7.3255 7.3255 7.6639 7.6639 7.7245 7.7245 7.7872 7.7872 7.8285 7.8285 7.8468 7.8468 8.2632 8.2632 8.2977 8.2977 k = 0.0669 0.1939-0.0000 ( 13319 PWs) bands (ev): 0.2996 0.2996 1.9239 1.9239 2.5343 2.5343 2.8474 2.8474 2.8577 2.8577 4.0457 4.0457 4.4139 4.4139 4.4307 4.4307 4.6507 4.6507 5.3882 5.3882 5.5311 5.5311 5.6095 5.6095 6.0047 6.0047 6.0214 6.0214 6.0735 6.0735 6.0793 6.0793 6.3947 6.3947 6.4565 6.4565 6.4683 6.4683 6.5372 6.5372 6.8810 6.8810 6.8821 6.8821 6.9400 6.9400 7.0072 7.0072 7.0820 7.0820 7.1190 7.1190 7.3370 7.3370 7.3464 7.3464 7.6630 7.6630 7.7252 7.7252 7.8266 7.8266 7.8307 7.8307 7.8487 7.8487 8.2437 8.2437 8.2997 8.2997 k = 0.0753 0.2181-0.0000 ( 13307 PWs) bands (ev): 0.3275 0.3275 1.9364 1.9364 2.5460 2.5460 2.8546 2.8546 2.8647 2.8647 3.9447 3.9447 4.4044 4.4044 4.4195 4.4195 4.6815 4.6815 5.3162 5.3162 5.5893 5.5893 5.6243 5.6243 5.9971 5.9971 6.0127 6.0127 6.0980 6.0980 6.1050 6.1050 6.4189 6.4189 6.4403 6.4403 6.4560 6.4560 6.5907 6.5907 6.8757 6.8757 6.8780 6.8780 6.9480 6.9480 6.9858 6.9858 7.1103 7.1103 7.1299 7.1299 7.3592 7.3592 7.3685 7.3685 7.6618 7.6618 7.7259 7.7259 7.8328 7.8328 7.8508 7.8508 7.8661 7.8661 8.2187 8.2187 8.3067 8.3067 k = 0.0837 0.2423-0.0000 ( 13327 PWs) bands (ev): 0.3586 0.3586 1.9502 1.9502 2.5589 2.5589 2.8618 2.8618 2.8718 2.8718 3.8439 3.8439 4.3946 4.3946 4.4080 4.4080 4.7152 4.7152 5.2423 5.2423 5.6406 5.6406 5.6421 5.6421 5.9846 5.9846 5.9996 5.9996 6.1253 6.1253 6.1337 6.1337 6.4266 6.4266 6.4446 6.4446 6.4466 6.4466 6.6492 6.6492 6.8712 6.8712 6.8749 6.8749 6.9486 6.9486 6.9558 6.9558 7.1421 7.1421 7.1568 7.1568 7.3822 7.3822 7.3913 7.3913 7.6606 7.6606 7.7267 7.7267 7.8352 7.8352 7.8532 7.8532 7.9030 7.9030 8.1903 8.1903 8.3179 8.3179 k = 0.0921 0.2666-0.0000 ( 13347 PWs) bands (ev): 0.3928 0.3928 1.9653 1.9653 2.5729 2.5729 2.8688 2.8688 2.8787 2.8787 3.7435 3.7435 4.3848 4.3848 4.3964 4.3964 4.7517 4.7517 5.1672 5.1672 5.6585 5.6585 5.6896 5.6896 5.9673 5.9673 5.9819 5.9819 6.1548 6.1548 6.1646 6.1646 6.4176 6.4176 6.4408 6.4408 6.4712 6.4712 6.7116 6.7116 6.8679 6.8679 6.8726 6.8726 6.9063 6.9063 6.9628 6.9628 7.1557 7.1557 7.2109 7.2109 7.4057 7.4057 7.4147 7.4147 7.6596 7.6596 7.7277 7.7277 7.8376 7.8376 7.8555 7.8555 7.9349 7.9349 8.1592 8.1593 8.3343 8.3343 k = 0.1004 0.2908-0.0000 ( 13339 PWs) bands (ev): 0.4301 0.4301 1.9817 1.9817 2.5879 2.5879 2.8754 2.8754 2.8851 2.8851 3.6438 3.6438 4.3752 4.3752 4.3849 4.3849 4.7908 4.7908 5.0915 5.0915 5.6779 5.6779 5.7321 5.7321 5.9454 5.9454 5.9598 5.9598 6.1859 6.1859 6.1974 6.1974 6.4135 6.4135 6.4394 6.4394 6.4992 6.4992 6.7768 6.7768 6.8606 6.8606 6.8667 6.8667 6.8711 6.8711 6.9694 6.9694 7.1705 7.1705 7.2701 7.2701 7.4295 7.4295 7.4383 7.4383 7.6590 7.6590 7.7293 7.7293 7.8398 7.8398 7.8578 7.8578 7.9593 7.9593 8.1260 8.1260 8.3570 8.3570 k = 0.1088 0.3150-0.0000 ( 13319 PWs) bands (ev): 0.4705 0.4705 1.9992 1.9992 2.6038 2.6038 2.8812 2.8812 2.8907 2.8907 3.5448 3.5448 4.3661 4.3661 4.3739 4.3739 4.8322 4.8322 5.0157 5.0157 5.6986 5.6986 5.7698 5.7698 5.9194 5.9194 5.9337 5.9337 6.2184 6.2184 6.2317 6.2317 6.4145 6.4145 6.4425 6.4425 6.5287 6.5287 6.8143 6.8143 6.8422 6.8422 6.8670 6.8670 6.8703 6.8703 6.9756 6.9756 7.1866 7.1866 7.3327 7.3327 7.4530 7.4530 7.4619 7.4619 7.6595 7.6595 7.7321 7.7321 7.8416 7.8416 7.8597 7.8597 7.9742 7.9742 8.0909 8.0909 8.3869 8.3869 k = 0.1172 0.3393-0.0000 ( 13335 PWs) bands (ev): 0.5139 0.5139 2.0180 2.0180 2.6206 2.6206 2.8859 2.8859 2.8951 2.8951 3.4466 3.4466 4.3577 4.3577 4.3637 4.3637 4.8758 4.8758 4.9404 4.9404 5.7206 5.7206 5.8029 5.8029 5.8900 5.8900 5.9045 5.9045 6.2515 6.2515 6.2671 6.2671 6.4208 6.4208 6.4502 6.4502 6.5597 6.5597 6.7665 6.7665 6.8639 6.8639 6.8704 6.8704 6.9130 6.9130 6.9815 6.9815 7.2040 7.2040 7.3966 7.3966 7.4762 7.4762 7.4852 7.4852 7.6617 7.6617 7.7374 7.7374 7.8428 7.8428 7.8611 7.8611 7.9789 7.9789 8.0543 8.0543 8.4238 8.4238 k = 0.1255 0.3635-0.0000 ( 13347 PWs) bands (ev): 0.5603 0.5603 2.0379 2.0379 2.6379 2.6379 2.8892 2.8892 2.8980 2.8980 3.3495 3.3495 4.3504 4.3504 4.3545 4.3545 4.8661 4.8661 4.9212 4.9212 5.7437 5.7437 5.8315 5.8315 5.8585 5.8585 5.8730 5.8730 6.2846 6.2846 6.3030 6.3030 6.4323 6.4323 6.4622 6.4622 6.5923 6.5923 6.7181 6.7181 6.8658 6.8658 6.8712 6.8712 6.9788 6.9788 6.9870 6.9870 7.2225 7.2225 7.4586 7.4586 7.4985 7.4985 7.5081 7.5081 7.6665 7.6665 7.7478 7.7478 7.8431 7.8431 7.8616 7.8616 7.9735 7.9735 8.0171 8.0171 8.4664 8.4664 k = 0.1339 0.3877-0.0000 ( 13331 PWs) bands (ev): 0.6097 0.6097 2.0588 2.0588 2.6557 2.6557 2.8906 2.8906 2.8990 2.8990 3.2534 3.2534 4.3441 4.3441 4.3468 4.3468 4.7932 4.7932 4.9683 4.9683 5.7676 5.7676 5.8262 5.8262 5.8402 5.8402 5.8557 5.8557 6.3171 6.3171 6.3391 6.3391 6.4490 6.4490 6.4784 6.4784 6.6264 6.6264 6.6694 6.6694 6.8682 6.8682 6.8726 6.8726 6.9923 6.9923 7.0427 7.0427 7.2421 7.2421 7.5118 7.5118 7.5200 7.5200 7.5315 7.5315 7.6750 7.6750 7.7682 7.7682 7.8422 7.8422 7.8610 7.8610 7.9575 7.9575 7.9810 7.9810 8.5130 8.5130 k = 0.1423 0.4120-0.0000 ( 13347 PWs) bands (ev): 0.6619 0.6619 2.0808 2.0808 2.6737 2.6737 2.8899 2.8899 2.8978 2.8978 3.1585 3.1585 4.3388 4.3388 4.3414 4.3414 4.7222 4.7222 5.0168 5.0168 5.7836 5.7836 5.8026 5.8026 5.8072 5.8072 5.8752 5.8752 6.3482 6.3482 6.3745 6.3745 6.4708 6.4708 6.4986 6.4986 6.6210 6.6210 6.6621 6.6621 6.8713 6.8713 6.8745 6.8745 6.9974 6.9974 7.1029 7.1029 7.2625 7.2625 7.5397 7.5397 7.5448 7.5448 7.5598 7.5598 7.6880 7.6880 7.8049 7.8049 7.8398 7.8398 7.8590 7.8590 7.9286 7.9286 7.9500 7.9500 8.5620 8.5620 k = 0.1506 0.4362-0.0000 ( 13315 PWs) bands (ev): 0.7169 0.7169 2.1038 2.1038 2.6917 2.6917 2.8866 2.8866 2.8940 2.8940 3.0649 3.0649 4.3346 4.3346 4.3385 4.3385 4.6536 4.6536 5.0665 5.0665 5.7572 5.7572 5.7746 5.7746 5.8230 5.8230 5.8900 5.8900 6.3774 6.3774 6.4086 6.4086 6.4975 6.4975 6.5228 6.5228 6.5731 6.5731 6.6994 6.6994 6.8751 6.8751 6.8768 6.8768 7.0023 7.0023 7.1584 7.1584 7.2836 7.2836 7.5582 7.5582 7.5652 7.5652 7.5815 7.5815 7.7067 7.7067 7.8354 7.8355 7.8543 7.8543 7.8617 7.8617 7.8920 7.8920 7.9205 7.9205 8.6117 8.6117 k = 0.1590 0.4604-0.0000 ( 13307 PWs) bands (ev): 0.7746 0.7746 2.1277 2.1277 2.7093 2.7093 2.8804 2.8804 2.8873 2.8873 2.9727 2.9727 4.3321 4.3321 4.3378 4.3378 4.5879 4.5879 5.1171 5.1171 5.7265 5.7265 5.7434 5.7434 5.8501 5.8501 5.8997 5.8997 6.4048 6.4048 6.4407 6.4407 6.5263 6.5263 6.5285 6.5285 6.5508 6.5508 6.7381 6.7381 6.8790 6.8790 6.8798 6.8798 7.0071 7.0071 7.2086 7.2086 7.3049 7.3049 7.5749 7.5749 7.5818 7.5818 7.5908 7.5908 7.7314 7.7314 7.8284 7.8284 7.8492 7.8492 7.8543 7.8543 7.8879 7.8879 7.9317 7.9317 8.6608 8.6608 k = 0.1674 0.4847-0.0000 ( 13323 PWs) bands (ev): 0.8351 0.8351 2.1525 2.1525 2.7261 2.7261 2.8709 2.8709 2.8774 2.8774 2.8822 2.8822 4.3318 4.3318 4.3394 4.3394 4.5256 4.5256 5.1684 5.1684 5.6973 5.6973 5.7142 5.7142 5.8785 5.8785 5.9042 5.9042 6.4306 6.4306 6.4654 6.4654 6.4861 6.4861 6.5628 6.5628 6.5820 6.5820 6.7784 6.7784 6.8818 6.8818 6.8846 6.8846 7.0118 7.0118 7.2536 7.2536 7.3260 7.3260 7.5872 7.5872 7.5899 7.5899 7.5997 7.5997 7.7625 7.7625 7.8112 7.8112 7.8250 7.8250 7.8411 7.8411 7.8515 7.8515 8.0113 8.0113 8.6965 8.6965 k = 0.1757 0.5089-0.0000 ( 13307 PWs) bands (ev): 0.8981 0.8981 2.1781 2.1781 2.7418 2.7418 2.7924 2.7924 2.8588 2.8588 2.8643 2.8643 4.3338 4.3338 4.3431 4.3431 4.4673 4.4673 5.2200 5.2200 5.6705 5.6705 5.6874 5.6874 5.9031 5.9031 5.9078 5.9078 6.4324 6.4324 6.4553 6.4553 6.5032 6.5032 6.5992 6.5992 6.6155 6.6155 6.8200 6.8200 6.8844 6.8844 6.8900 6.8900 7.0163 7.0163 7.2941 7.2941 7.3459 7.3459 7.5806 7.5806 7.6028 7.6028 7.6125 7.6125 7.7776 7.7776 7.7987 7.7987 7.8081 7.8081 7.8153 7.8153 7.8311 7.8311 8.0950 8.0950 8.6766 8.6766 k = 0.1841 0.5331-0.0000 ( 13255 PWs) bands (ev): 0.9637 0.9637 2.2046 2.2046 2.7046 2.7046 2.7559 2.7559 2.8427 2.8427 2.8477 2.8477 4.3381 4.3381 4.3488 4.3488 4.4140 4.4140 5.2716 5.2716 5.6466 5.6466 5.6635 5.6635 5.8964 5.8964 5.9378 5.9378 6.3896 6.3896 6.4794 6.4794 6.5304 6.5304 6.6367 6.6367 6.6502 6.6502 6.8627 6.8627 6.8870 6.8870 6.8960 6.8960 7.0206 7.0206 7.3317 7.3317 7.3634 7.3634 7.5689 7.5689 7.6140 7.6140 7.6240 7.6240 7.7447 7.7447 7.7692 7.7692 7.7988 7.7988 7.8149 7.8149 7.8430 7.8430 8.1793 8.1793 8.6568 8.6568 k = 0.1925 0.5574-0.0000 ( 13247 PWs) bands (ev): 1.0317 1.0317 2.2317 2.2317 2.6184 2.6184 2.7678 2.7678 2.8232 2.8232 2.8276 2.8276 4.3448 4.3448 4.3519 4.3519 4.3708 4.3708 5.3229 5.3229 5.6261 5.6261 5.6429 5.6429 5.8838 5.8838 5.9685 5.9685 6.3482 6.3482 6.5031 6.5031 6.5571 6.5571 6.6744 6.6744 6.6846 6.6846 6.8888 6.8888 6.9029 6.9029 6.9071 6.9071 7.0246 7.0246 7.3678 7.3678 7.3767 7.3767 7.5535 7.5535 7.6235 7.6235 7.6339 7.6339 7.7115 7.7115 7.7313 7.7313 7.7825 7.7825 7.7998 7.7998 7.8863 7.8863 8.2613 8.2613 8.6370 8.6370 k = 0.2008 0.5816-0.0000 ( 13267 PWs) bands (ev): 1.1021 1.1021 2.2596 2.2596 2.5339 2.5339 2.7770 2.7770 2.8002 2.8002 2.8041 2.8041 4.3194 4.3194 4.3540 4.3540 4.3711 4.3711 5.3734 5.3734 5.6091 5.6091 5.6258 5.6258 5.8655 5.8655 5.9996 5.9996 6.3090 6.3090 6.5265 6.5265 6.5833 6.5833 6.7109 6.7109 6.7172 6.7172 6.8916 6.8916 6.9112 6.9112 6.9509 6.9509 7.0286 7.0286 7.3835 7.3835 7.4042 7.4042 7.5350 7.5350 7.6314 7.6314 7.6423 7.6423 7.6703 7.6703 7.7083 7.7083 7.7642 7.7642 7.7815 7.7815 7.9318 7.9318 8.3385 8.3385 8.6171 8.6171 k = 0.2092 0.6058-0.0000 ( 13251 PWs) bands (ev): 1.1747 1.1747 2.2882 2.2882 2.4510 2.4510 2.7737 2.7737 2.7768 2.7768 2.7835 2.7835 4.2838 4.2838 4.3652 4.3652 4.3832 4.3832 5.4225 5.4225 5.5960 5.5960 5.6126 5.6126 5.8416 5.8416 6.0311 6.0311 6.2723 6.2723 6.5498 6.5498 6.6090 6.6090 6.7446 6.7446 6.7467 6.7467 6.8951 6.8951 6.9218 6.9218 6.9921 6.9921 7.0350 7.0350 7.3819 7.3819 7.4418 7.4418 7.5137 7.5137 7.6235 7.6235 7.6396 7.6396 7.6495 7.6495 7.6994 7.6994 7.7438 7.7438 7.7607 7.7607 7.9773 7.9773 8.4081 8.4081 8.5971 8.5971 k = 0.2176 0.6301-0.0000 ( 13243 PWs) bands (ev): 1.2495 1.2495 2.3174 2.3174 2.3700 2.3700 2.7441 2.7441 2.7471 2.7471 2.7853 2.7853 4.2547 4.2547 4.3785 4.3785 4.3977 4.3977 5.4695 5.4695 5.5866 5.5866 5.6033 5.6033 5.8125 5.8125 6.0629 6.0629 6.2388 6.2388 6.5728 6.5728 6.6344 6.6344 6.7695 6.7695 6.7748 6.7748 6.9010 6.9010 6.9357 6.9357 7.0153 7.0153 7.0581 7.0581 7.3713 7.3713 7.4811 7.4811 7.4904 7.4904 7.5786 7.5786 7.6453 7.6453 7.6556 7.6556 7.7014 7.7014 7.7227 7.7227 7.7382 7.7382 8.0216 8.0216 8.4675 8.4675 8.5770 8.5770 k = 0.2259 0.6543-0.0000 ( 13267 PWs) bands (ev): 1.3263 1.3263 2.2907 2.2907 2.3473 2.3473 2.7115 2.7115 2.7143 2.7143 2.7833 2.7833 4.2331 4.2331 4.3935 4.3935 4.4139 4.4139 5.5133 5.5133 5.5813 5.5813 5.5984 5.5984 5.7785 5.7785 6.0947 6.0947 6.2092 6.2092 6.5955 6.5955 6.6592 6.6592 6.7863 6.7863 6.7964 6.7964 6.9115 6.9115 6.9537 6.9537 7.0172 7.0172 7.0996 7.0996 7.3530 7.3530 7.4631 7.4631 7.5247 7.5247 7.5355 7.5355 7.6506 7.6506 7.6602 7.6602 7.6955 7.6955 7.7151 7.7151 7.7189 7.7189 8.0639 8.0639 8.5130 8.5130 8.5583 8.5583 k = 0.2343 0.6785-0.0000 ( 13295 PWs) bands (ev): 1.4051 1.4051 2.2133 2.2133 2.3778 2.3778 2.6761 2.6761 2.6789 2.6789 2.7767 2.7767 4.2194 4.2194 4.4102 4.4102 4.4316 4.4316 5.5521 5.5521 5.5798 5.5798 5.5984 5.5984 5.7401 5.7401 6.1265 6.1265 6.1844 6.1844 6.6179 6.6179 6.6835 6.6835 6.7960 6.7960 6.8081 6.8081 6.9283 6.9283 6.9755 6.9755 7.0113 7.0113 7.1442 7.1442 7.3294 7.3294 7.4344 7.4344 7.4972 7.4972 7.5702 7.5702 7.6515 7.6515 7.6599 7.6599 7.6769 7.6769 7.6958 7.6958 7.7392 7.7392 8.1035 8.1035 8.5244 8.5244 8.5598 8.5598 k = 0.2427 0.7027-0.0000 ( 13311 PWs) bands (ev): 1.4855 1.4855 2.1378 2.1378 2.4090 2.4090 2.6383 2.6383 2.6411 2.6411 2.7654 2.7654 4.2138 4.2138 4.4281 4.4281 4.4504 4.4504 5.5808 5.5808 5.5822 5.5822 5.6069 5.6069 5.6980 5.6980 6.1579 6.1579 6.1655 6.1655 6.6399 6.6399 6.7069 6.7069 6.7995 6.7995 6.8106 6.8106 6.9498 6.9498 6.9993 6.9993 6.9996 6.9996 7.1876 7.1876 7.3030 7.3030 7.4035 7.4035 7.4665 7.4665 7.6184 7.6184 7.6347 7.6347 7.6451 7.6451 7.6748 7.6748 7.6909 7.6909 7.7663 7.7663 8.1402 8.1402 8.5050 8.5050 8.5577 8.5577 k = 0.2510 0.7270-0.0000 ( 13287 PWs) bands (ev): 1.5676 1.5676 2.0642 2.0642 2.4408 2.4408 2.5984 2.5984 2.6014 2.6014 2.7495 2.7495 4.2164 4.2164 4.4471 4.4471 4.4701 4.4701 5.5882 5.5882 5.5953 5.5953 5.6261 5.6261 5.6533 5.6533 6.1539 6.1539 6.1888 6.1888 6.6612 6.6612 6.7291 6.7291 6.7984 6.7984 6.8064 6.8064 6.9674 6.9674 6.9862 6.9862 7.0243 7.0243 7.2266 7.2266 7.2757 7.2757 7.3704 7.3704 7.4475 7.4475 7.6083 7.6083 7.6189 7.6189 7.6698 7.6698 7.6828 7.6828 7.6971 7.6971 7.7978 7.7978 8.1740 8.1740 8.4820 8.4820 8.5310 8.5310 k = 0.2594 0.7512-0.0000 ( 13255 PWs) bands (ev): 1.6510 1.6510 1.9926 1.9926 2.4734 2.4734 2.5569 2.5569 2.5600 2.5600 2.7291 2.7291 4.2271 4.2271 4.4669 4.4669 4.4904 4.4904 5.5977 5.5977 5.6004 5.6004 5.6101 5.6101 5.6457 5.6457 6.1508 6.1508 6.2190 6.2190 6.6816 6.6816 6.7489 6.7489 6.7949 6.7949 6.7978 6.7978 6.9477 6.9477 7.0019 7.0019 7.0482 7.0482 7.2478 7.2478 7.2590 7.2590 7.3353 7.3353 7.4446 7.4446 7.5794 7.5794 7.5900 7.5900 7.6942 7.6942 7.7076 7.7076 7.7224 7.7224 7.8324 7.8324 8.2054 8.2054 8.4582 8.4582 8.5039 8.5039 k = 0.2678 0.7754-0.0000 ( 13248 PWs) bands (ev): 1.7356 1.7356 1.9231 1.9231 2.5067 2.5067 2.5141 2.5141 2.5174 2.5174 2.7046 2.7046 4.2454 4.2454 4.4873 4.4873 4.5112 4.5112 5.5533 5.5533 5.6103 5.6103 5.6198 5.6198 5.6566 5.6566 6.1569 6.1569 6.2479 6.2479 6.7010 6.7010 6.7618 6.7618 6.7860 6.7860 6.7943 6.7943 6.9124 6.9124 7.0233 7.0233 7.0701 7.0701 7.2231 7.2231 7.2795 7.2795 7.2983 7.2983 7.4601 7.4601 7.5496 7.5496 7.5597 7.5597 7.7081 7.7081 7.7210 7.7210 7.7760 7.7760 7.8692 7.8692 8.2350 8.2350 8.4345 8.4345 8.4772 8.4772 k = 0.2762 0.7997-0.0000 ( 13268 PWs) bands (ev): 1.8209 1.8209 1.8556 1.8556 2.4701 2.4701 2.4736 2.4736 2.5414 2.5414 2.6765 2.6765 4.2709 4.2709 4.5081 4.5081 4.5322 4.5322 5.5016 5.5016 5.6258 5.6258 5.6339 5.6339 5.6598 5.6598 6.1719 6.1719 6.2754 6.2754 6.7189 6.7189 6.7605 6.7605 6.7722 6.7722 6.8044 6.8044 6.8696 6.8696 7.0426 7.0426 7.0891 7.0891 7.2001 7.2001 7.2592 7.2592 7.2931 7.2931 7.4902 7.4902 7.5200 7.5200 7.5288 7.5288 7.7239 7.7239 7.7365 7.7365 7.8291 7.8291 7.9077 7.9077 8.2641 8.2641 8.4119 8.4119 8.4517 8.4517 k = 0.2845 0.8239-0.0000 ( 13268 PWs) bands (ev): 1.7903 1.7903 1.9068 1.9068 2.4255 2.4255 2.4292 2.4292 2.5771 2.5771 2.6453 2.6453 4.3031 4.3031 4.5291 4.5291 4.5532 4.5532 5.4487 5.4487 5.6435 5.6435 5.6441 5.6441 5.6616 5.6616 6.1948 6.1948 6.3010 6.3010 6.7337 6.7337 6.7507 6.7507 6.7571 6.7571 6.8200 6.8200 6.8224 6.8224 7.0586 7.0586 7.1048 7.1048 7.1801 7.1801 7.2185 7.2185 7.3034 7.3034 7.4872 7.4872 7.4980 7.4980 7.5325 7.5325 7.7411 7.7411 7.7533 7.7533 7.8801 7.8801 7.9475 7.9475 8.2945 8.2945 8.3915 8.3915 8.4287 8.4287 k = 0.2929 0.8481-0.0000 ( 13268 PWs) bands (ev): 1.7270 1.7270 1.9926 1.9926 2.3805 2.3805 2.3844 2.3844 2.6113 2.6113 2.6145 2.6145 4.3415 4.3415 4.5502 4.5502 4.5742 4.5742 5.3951 5.3951 5.6359 5.6359 5.6639 5.6639 5.6765 5.6765 6.2240 6.2240 6.3242 6.3242 6.7365 6.7365 6.7382 6.7382 6.7402 6.7402 6.7819 6.7819 6.8358 6.8358 7.0711 7.0711 7.1168 7.1168 7.1638 7.1638 7.1762 7.1762 7.3137 7.3137 7.4573 7.4573 7.4676 7.4676 7.5766 7.5766 7.7587 7.7587 7.7704 7.7704 7.9266 7.9266 7.9882 7.9882 8.3285 8.3285 8.3747 8.3747 8.4096 8.4096 k = 0.3013 0.8724-0.0000 ( 13232 PWs) bands (ev): 1.6660 1.6660 2.0778 2.0778 2.3355 2.3355 2.3396 2.3396 2.5758 2.5758 2.6535 2.6535 4.3853 4.3853 4.5713 4.5713 4.5950 4.5950 5.3412 5.3412 5.6188 5.6188 5.6855 5.6855 5.6970 5.6970 6.2576 6.2576 6.3447 6.3447 6.6971 6.6971 6.7237 6.7237 6.7247 6.7247 6.7783 6.7783 6.8502 6.8502 7.0798 7.0798 7.1242 7.1242 7.1328 7.1328 7.1519 7.1519 7.3250 7.3250 7.4277 7.4277 7.4384 7.4384 7.6229 7.6229 7.7751 7.7751 7.7863 7.7863 7.9665 7.9665 8.0297 8.0297 8.3616 8.3616 8.3691 8.3691 8.3960 8.3960 k = 0.3096 0.8966-0.0000 ( 13244 PWs) bands (ev): 1.6072 1.6072 2.1616 2.1616 2.2907 2.2907 2.2949 2.2949 2.5387 2.5387 2.6953 2.6953 4.4341 4.4341 4.5922 4.5922 4.6155 4.6155 5.2875 5.2875 5.5970 5.5970 5.7081 5.7081 5.7191 5.7191 6.2943 6.2943 6.3619 6.3619 6.6399 6.6399 6.7081 6.7081 6.7112 6.7112 6.7878 6.7878 6.8625 6.8625 7.0847 7.0847 7.0865 7.0865 7.1289 7.1289 7.1446 7.1446 7.3375 7.3375 7.3995 7.3995 7.4112 7.4112 7.6692 7.6692 7.7890 7.7890 7.7993 7.7993 7.9979 7.9979 8.0718 8.0718 8.3529 8.3529 8.3893 8.3893 8.4044 8.4056 k = 0.3096 0.8966-0.0000 ( 13244 PWs) bands (ev): 1.6072 1.6072 2.1616 2.1616 2.2907 2.2907 2.2949 2.2949 2.5387 2.5387 2.6953 2.6953 4.4341 4.4341 4.5922 4.5922 4.6155 4.6155 5.2875 5.2875 5.5970 5.5970 5.7081 5.7081 5.7191 5.7191 6.2943 6.2943 6.3619 6.3619 6.6399 6.6399 6.7081 6.7081 6.7112 6.7112 6.7878 6.7878 6.8625 6.8625 7.0847 7.0847 7.0865 7.0865 7.1289 7.1289 7.1446 7.1446 7.3375 7.3375 7.3995 7.3995 7.4112 7.4112 7.6692 7.6692 7.7890 7.7890 7.7993 7.7993 7.9979 7.9979 8.0718 8.0718 8.3529 8.3529 8.3893 8.3893 8.4044 8.4051 k = 0.3069 0.8888 0.0240 ( 13243 PWs) bands (ev): 1.6243 1.6243 2.1356 2.1356 2.2995 2.2995 2.3110 2.3110 2.5569 2.5569 2.6817 2.6817 4.4155 4.4155 4.5865 4.5865 4.6098 4.6098 5.3039 5.3039 5.6004 5.6004 5.7029 5.7029 5.7145 5.7145 6.2858 6.2858 6.3535 6.3535 6.6569 6.6569 6.7126 6.7126 6.7151 6.7151 6.7851 6.7851 6.8588 6.8588 7.0840 7.0840 7.1017 7.1017 7.1287 7.1287 7.1444 7.1444 7.3336 7.3336 7.4060 7.4060 7.4179 7.4179 7.6563 7.6563 7.7851 7.7851 7.7950 7.7950 7.9888 7.9888 8.0554 8.0554 8.3508 8.3508 8.3830 8.3830 8.4059 8.4059 k = 0.3042 0.8809 0.0481 ( 13246 PWs) bands (ev): 1.6385 1.6385 2.1114 2.1114 2.2982 2.2982 2.3311 2.3311 2.5850 2.5850 2.6689 2.6689 4.3937 4.3937 4.5828 4.5828 4.6058 4.6058 5.3177 5.3177 5.5946 5.5946 5.7028 5.7028 5.7163 5.7163 6.2852 6.2852 6.3384 6.3384 6.6680 6.6680 6.7160 6.7160 6.7187 6.7187 6.7844 6.7844 6.8553 6.8553 7.0840 7.0840 7.1175 7.1175 7.1298 7.1298 7.1407 7.1407 7.3297 7.3297 7.4052 7.4052 7.4232 7.4232 7.6492 7.6492 7.7799 7.7799 7.7893 7.7893 7.9781 7.9781 8.0354 8.0354 8.3439 8.3439 8.3737 8.3737 8.4125 8.4125 k = 0.3015 0.8731 0.0721 ( 13252 PWs) bands (ev): 1.6502 1.6502 2.0890 2.0890 2.2904 2.2904 2.3546 2.3546 2.6186 2.6186 2.6571 2.6571 4.3700 4.3700 4.5805 4.5805 4.6034 4.6034 5.3280 5.3280 5.5794 5.5794 5.7084 5.7084 5.7252 5.7252 6.2922 6.2922 6.3169 6.3169 6.6710 6.6710 6.7181 6.7181 6.7220 6.7220 6.7866 6.7866 6.8525 6.8525 7.0843 7.0843 7.1293 7.1293 7.1337 7.1337 7.1373 7.1373 7.3242 7.3242 7.3975 7.3975 7.4282 7.4282 7.6487 7.6487 7.7723 7.7723 7.7818 7.7818 7.9629 7.9629 8.0157 8.0157 8.3401 8.3401 8.3659 8.3659 8.4308 8.4308 k = 0.2988 0.8652 0.0962 ( 13261 PWs) bands (ev): 1.6596 1.6596 2.0683 2.0683 2.2794 2.2794 2.3807 2.3807 2.6420 2.6420 2.6584 2.6584 4.3457 4.3457 4.5788 4.5788 4.6032 4.6032 5.3346 5.3346 5.5564 5.5564 5.7191 5.7191 5.7413 5.7413 6.2896 6.2896 6.3064 6.3064 6.6653 6.6653 6.7193 6.7193 6.7245 6.7245 6.7913 6.7913 6.8513 6.8513 7.0844 7.0844 7.1216 7.1216 7.1389 7.1389 7.1525 7.1525 7.3144 7.3144 7.3889 7.3889 7.4316 7.4316 7.6528 7.6528 7.7622 7.7622 7.7712 7.7712 7.9409 7.9409 7.9997 7.9997 8.3434 8.3434 8.3630 8.3630 8.4552 8.4552 k = 0.2961 0.8574 0.1202 ( 13249 PWs) bands (ev): 1.6674 1.6674 2.0495 2.0495 2.2672 2.2672 2.4088 2.4088 2.6324 2.6324 2.6926 2.6926 4.3221 4.3221 4.5765 4.5765 4.6062 4.6062 5.3377 5.3377 5.5276 5.5276 5.7340 5.7340 5.7644 5.7644 6.2574 6.2574 6.3263 6.3263 6.6518 6.6518 6.7196 6.7196 6.7258 6.7258 6.7964 6.7964 6.8526 6.8526 7.0828 7.0828 7.1104 7.1104 7.1474 7.1474 7.1699 7.1699 7.2985 7.2985 7.3845 7.3845 7.4329 7.4329 7.6594 7.6594 7.7493 7.7493 7.7573 7.7573 7.9138 7.9138 7.9867 7.9867 8.3551 8.3551 8.3669 8.3669 8.4832 8.4832 k = 0.2934 0.8495 0.1443 ( 13255 PWs) bands (ev): 1.6740 1.6740 2.0326 2.0326 2.2549 2.2549 2.4382 2.4382 2.6214 2.6214 2.7263 2.7263 4.3002 4.3002 4.5725 4.5725 4.6133 4.6133 5.3379 5.3379 5.4948 5.4948 5.7526 5.7526 5.7932 5.7932 6.2209 6.2209 6.3509 6.3509 6.6321 6.6321 6.7192 6.7192 6.7256 6.7256 6.7993 6.7993 6.8575 6.8575 7.0766 7.0766 7.1010 7.1010 7.1583 7.1583 7.1875 7.1875 7.2785 7.2785 7.3853 7.3853 7.4323 7.4323 7.6663 7.6663 7.7318 7.7318 7.7410 7.7410 7.8855 7.8855 7.9740 7.9740 8.3745 8.3745 8.3788 8.3788 8.5136 8.5136 k = 0.2907 0.8417 0.1683 ( 13254 PWs) bands (ev): 1.6800 1.6800 2.0174 2.0174 2.2432 2.2432 2.4681 2.4681 2.6100 2.6100 2.7567 2.7567 4.2812 4.2812 4.5668 4.5668 4.6248 4.6248 5.3358 5.3358 5.4595 5.4595 5.7744 5.7744 5.8265 5.8265 6.1813 6.1813 6.3790 6.3790 6.6076 6.6076 6.7182 6.7182 6.7236 6.7236 6.7989 6.7989 6.8659 6.8659 7.0635 7.0635 7.0961 7.0961 7.1711 7.1711 7.2038 7.2038 7.2587 7.2587 7.3900 7.3900 7.4303 7.4303 7.6712 7.6712 7.7107 7.7107 7.7224 7.7224 7.8593 7.8593 7.9601 7.9601 8.3960 8.3960 8.4039 8.4039 8.5454 8.5454 k = 0.2879 0.8338 0.1924 ( 13260 PWs) bands (ev): 1.6856 1.6856 2.0040 2.0040 2.2328 2.2328 2.4981 2.4981 2.5983 2.5983 2.7827 2.7827 4.2661 4.2661 4.5596 4.5596 4.6406 4.6406 5.3323 5.3323 5.4230 5.4230 5.7994 5.7994 5.8620 5.8620 6.1402 6.1402 6.4093 6.4093 6.5796 6.5796 6.7162 6.7162 6.7199 6.7199 6.7956 6.7956 6.8769 6.8769 7.0461 7.0461 7.0928 7.0928 7.1847 7.1847 7.2133 7.2133 7.2475 7.2475 7.3975 7.3975 7.4278 7.4278 7.6679 7.6679 7.6915 7.6915 7.7019 7.7019 7.8367 7.8367 7.9447 7.9447 8.4221 8.4221 8.4377 8.4377 8.5780 8.5780 k = 0.2852 0.8260 0.2164 ( 13265 PWs) bands (ev): 1.6915 1.6915 1.9924 1.9924 2.2238 2.2238 2.5275 2.5275 2.5858 2.5858 2.8035 2.8035 4.2558 4.2558 4.5510 4.5510 4.6606 4.6606 5.3278 5.3278 5.3862 5.3862 5.8269 5.8269 5.8960 5.8960 6.1010 6.1010 6.4407 6.4407 6.5494 6.5494 6.7111 6.7111 6.7166 6.7166 6.7904 6.7904 6.8892 6.8892 7.0268 7.0268 7.0883 7.0883 7.1975 7.1975 7.2081 7.2081 7.2550 7.2550 7.4067 7.4067 7.4262 7.4262 7.6474 7.6474 7.6694 7.6694 7.6941 7.6941 7.8181 7.8181 7.9277 7.9277 8.4543 8.4543 8.4766 8.4766 8.6110 8.6110 k = 0.2825 0.8181 0.2404 ( 13259 PWs) bands (ev): 1.6977 1.6977 1.9823 1.9823 2.2165 2.2165 2.5560 2.5560 2.5723 2.5723 2.8187 2.8187 4.2507 4.2507 4.5414 4.5414 4.6847 4.6847 5.3227 5.3227 5.3501 5.3501 5.8566 5.8566 5.9189 5.9189 6.0731 6.0731 6.4700 6.4700 6.5205 6.5205 6.7019 6.7019 6.7145 6.7145 6.7837 6.7837 6.9018 6.9018 7.0066 7.0066 7.0817 7.0817 7.1964 7.1964 7.2115 7.2115 7.2707 7.2707 7.4159 7.4159 7.4277 7.4277 7.6208 7.6208 7.6400 7.6400 7.6948 7.6948 7.8026 7.8026 7.9096 7.9096 8.4916 8.4916 8.5187 8.5187 8.6426 8.6427 k = 0.2798 0.8103 0.2645 ( 13244 PWs) bands (ev): 1.7048 1.7048 1.9738 1.9738 2.2110 2.2110 2.5571 2.5571 2.5832 2.5832 2.8284 2.8284 4.2512 4.2512 4.5309 4.5309 4.7129 4.7129 5.3114 5.3114 5.3215 5.3215 5.8852 5.8852 5.9160 5.9160 6.0737 6.0737 6.4715 6.4715 6.5188 6.5188 6.6898 6.6898 6.7127 6.7127 6.7761 6.7761 6.9138 6.9138 6.9860 6.9860 7.0732 7.0732 7.1890 7.1890 7.2211 7.2211 7.2875 7.2875 7.4225 7.4225 7.4354 7.4354 7.5942 7.5942 7.6089 7.6089 7.6954 7.6954 7.7891 7.7891 7.8907 7.8907 8.5329 8.5329 8.5628 8.5628 8.6641 8.6644 k = 0.2771 0.8024 0.2885 ( 13267 PWs) bands (ev): 1.7128 1.7128 1.9666 1.9666 2.2075 2.2075 2.5403 2.5403 2.6088 2.6088 2.8329 2.8329 4.2572 4.2572 4.5196 4.5196 4.7449 4.7449 5.2800 5.2800 5.3148 5.3148 5.8713 5.8713 5.9281 5.9281 6.1028 6.1028 6.4419 6.4419 6.5477 6.5477 6.6754 6.6754 6.7110 6.7110 6.7678 6.7678 6.9237 6.9237 6.9656 6.9656 7.0644 7.0644 7.1837 7.1837 7.2279 7.2279 7.3037 7.3037 7.4284 7.4284 7.4472 7.4472 7.5696 7.5696 7.5785 7.5785 7.6946 7.6946 7.7767 7.7767 7.8712 7.8712 8.5767 8.5767 8.6073 8.6073 8.6762 8.6762 k = 0.2744 0.7946 0.3126 ( 13263 PWs) bands (ev): 1.7220 1.7220 1.9606 1.9606 2.2060 2.2060 2.5212 2.5212 2.6326 2.6326 2.8328 2.8328 4.2681 4.2681 4.5079 4.5079 4.7806 4.7806 5.2490 5.2490 5.3104 5.3104 5.8231 5.8231 5.9620 5.9620 6.1449 6.1449 6.4093 6.4093 6.5790 6.5790 6.6594 6.6594 6.7095 6.7095 6.7592 6.7592 6.9282 6.9282 6.9478 6.9478 7.0568 7.0568 7.1797 7.1797 7.2314 7.2314 7.3184 7.3184 7.4349 7.4349 7.4599 7.4599 7.5485 7.5485 7.5519 7.5519 7.6923 7.6923 7.7646 7.7646 7.8512 7.8512 8.6212 8.6212 8.6500 8.6500 8.6890 8.6890 k = 0.2717 0.7867 0.3366 ( 13251 PWs) bands (ev): 1.7325 1.7325 1.9554 1.9554 2.2066 2.2066 2.4996 2.4996 2.6544 2.6544 2.8290 2.8290 4.2833 4.2833 4.4958 4.4958 4.8196 4.8196 5.2205 5.2205 5.3067 5.3067 5.7676 5.7676 5.9980 5.9980 6.1919 6.1919 6.3772 6.3772 6.6051 6.6051 6.6466 6.6466 6.7082 6.7082 6.7506 6.7506 6.9176 6.9176 6.9416 6.9416 7.0511 7.0511 7.1762 7.1762 7.2319 7.2319 7.3307 7.3307 7.4389 7.4389 7.4721 7.4721 7.5313 7.5313 7.5349 7.5349 7.6884 7.6884 7.7527 7.7527 7.8310 7.8310 8.6639 8.6639 8.6845 8.6845 8.7103 8.7103 k = 0.2690 0.7789 0.3607 ( 13239 PWs) bands (ev): 1.7445 1.7445 1.9508 1.9508 2.2093 2.2093 2.4754 2.4754 2.6744 2.6744 2.8225 2.8225 4.3015 4.3015 4.4837 4.4837 4.8616 4.8616 5.1950 5.1950 5.3038 5.3038 5.7088 5.7088 6.0348 6.0348 6.2405 6.2405 6.3469 6.3469 6.6051 6.6051 6.6570 6.6570 6.7074 6.7074 6.7422 6.7422 6.8984 6.8984 6.9407 6.9407 7.0461 7.0461 7.1736 7.1736 7.2299 7.2299 7.3402 7.3402 7.4343 7.4343 7.4826 7.4826 7.5245 7.5245 7.5284 7.5284 7.6831 7.6831 7.7409 7.7409 7.8105 7.8105 8.6966 8.6966 8.7113 8.7113 8.7445 8.7445 k = 0.2663 0.7710 0.3847 ( 13229 PWs) bands (ev): 1.7581 1.7581 1.9462 1.9462 2.2141 2.2141 2.4489 2.4489 2.6923 2.6923 2.8144 2.8144 4.3218 4.3218 4.4718 4.4718 4.9060 4.9060 5.1730 5.1730 5.3016 5.3016 5.6482 5.6482 6.0715 6.0715 6.2889 6.2889 6.3192 6.3192 6.5861 6.5861 6.6828 6.6828 6.7078 6.7078 6.7349 6.7349 6.8782 6.8782 6.9387 6.9387 7.0396 7.0396 7.1726 7.1726 7.2262 7.2262 7.3464 7.3464 7.4206 7.4206 7.4912 7.4912 7.5254 7.5254 7.5359 7.5359 7.6768 7.6768 7.7291 7.7291 7.7899 7.7899 8.7152 8.7152 8.7442 8.7442 8.7783 8.7783 k = 0.2636 0.7632 0.4088 ( 13242 PWs) bands (ev): 1.7733 1.7733 1.9410 1.9410 2.2210 2.2210 2.4205 2.4205 2.7084 2.7084 2.8053 2.8053 4.3426 4.3426 4.4603 4.4603 4.9521 4.9521 5.1546 5.1546 5.3004 5.3004 5.5869 5.5869 6.1074 6.1074 6.2945 6.2945 6.3358 6.3358 6.5633 6.5633 6.7004 6.7004 6.7141 6.7141 6.7321 6.7321 6.8580 6.8580 6.9361 6.9361 7.0295 7.0295 7.1738 7.1738 7.2214 7.2214 7.3498 7.3498 7.4034 7.4034 7.4987 7.4987 7.5309 7.5309 7.5523 7.5523 7.6702 7.6702 7.7173 7.7173 7.7691 7.7691 8.7322 8.7322 8.7736 8.7736 8.8044 8.8044 k = 0.2608 0.7553 0.4328 ( 13251 PWs) bands (ev): 1.7902 1.7902 1.9345 1.9345 2.2301 2.2301 2.3911 2.3911 2.7227 2.7227 2.7959 2.7959 4.3628 4.3628 4.4494 4.4494 4.9990 4.9990 5.1403 5.1403 5.3004 5.3004 5.5258 5.5258 6.1416 6.1416 6.2736 6.2736 6.3796 6.3796 6.5398 6.5398 6.7030 6.7030 6.7164 6.7164 6.7480 6.7480 6.8385 6.8385 6.9342 6.9342 7.0151 7.0151 7.1772 7.1772 7.2162 7.2162 7.3511 7.3511 7.3871 7.3871 7.5067 7.5067 7.5379 7.5379 7.5726 7.5726 7.6641 7.6641 7.7058 7.7058 7.7483 7.7483 8.7501 8.7501 8.7972 8.7972 8.8216 8.8217 k = 0.2581 0.7475 0.4568 ( 13245 PWs) bands (ev): 1.8089 1.8089 1.9257 1.9257 2.2412 2.2412 2.3618 2.3618 2.7352 2.7352 2.7867 2.7867 4.3812 4.3812 4.4394 4.4394 5.0448 5.0448 5.1303 5.1303 5.3018 5.3018 5.4664 5.4664 6.1727 6.1727 6.2567 6.2567 6.4182 6.4182 6.5171 6.5171 6.7035 6.7035 6.7135 6.7135 6.7698 6.7698 6.8206 6.8206 6.9338 6.9338 6.9976 6.9976 7.1819 7.1819 7.2108 7.2108 7.3513 7.3513 7.3733 7.3733 7.5155 7.5155 7.5434 7.5434 7.5948 7.5948 7.6599 7.6599 7.6944 7.6944 7.7275 7.7275 8.7689 8.7689 8.8145 8.8145 8.8331 8.8332 k = 0.2554 0.7396 0.4809 ( 13247 PWs) bands (ev): 1.8294 1.8294 1.9136 1.9136 2.2544 2.2544 2.3340 2.3340 2.7461 2.7461 2.7777 2.7777 4.3967 4.3967 4.4304 4.4304 5.0863 5.0863 5.1248 5.1248 5.3058 5.3058 5.4108 5.4108 6.1988 6.1988 6.2441 6.2441 6.4493 6.4493 6.4972 6.4972 6.7042 6.7042 6.7117 6.7117 6.7871 6.7871 6.8058 6.8058 6.9359 6.9359 6.9792 6.9792 7.1869 7.1869 7.2056 7.2056 7.3510 7.3510 7.3631 7.3631 7.5245 7.5245 7.5456 7.5456 7.6175 7.6175 7.6589 7.6589 7.6833 7.6833 7.7070 7.7070 8.7883 8.7883 8.8267 8.8268 8.8402 8.8404 k = 0.2527 0.7318 0.5049 ( 13242 PWs) bands (ev): 1.8516 1.8516 1.8969 1.8969 2.2695 2.2695 2.3093 2.3093 2.7556 2.7556 2.7693 2.7693 4.4085 4.4085 4.4227 4.4227 5.1163 5.1163 5.1247 5.1247 5.3142 5.3142 5.3632 5.3632 6.2176 6.2176 6.2355 6.2355 6.4701 6.4701 6.4827 6.4827 6.7058 6.7058 6.7108 6.7108 6.7962 6.7962 6.7970 6.7970 6.9412 6.9412 6.9626 6.9626 7.1916 7.1916 7.2009 7.2009 7.3509 7.3509 7.3565 7.3565 7.5331 7.5331 7.5437 7.5437 7.6399 7.6399 7.6618 7.6618 7.6723 7.6723 7.6871 7.6871 8.8071 8.8071 8.8336 8.8337 8.8435 8.8436 k = 0.2500 0.7239 0.5290 ( 13228 PWs) bands (ev): 1.8749 1.8749 1.8756 1.8756 2.2866 2.2866 2.2889 2.2889 2.7615 2.7615 2.7637 2.7637 4.4155 4.4155 4.4171 4.4171 5.1252 5.1252 5.1283 5.1283 5.3306 5.3306 5.3314 5.3314 6.2275 6.2275 6.2296 6.2296 6.4760 6.4760 6.4786 6.4786 6.7084 6.7084 6.7091 6.7091 6.7956 6.7956 6.7971 6.7971 6.9492 6.9492 6.9508 6.9508 7.1955 7.1955 7.1968 7.1968 7.3512 7.3512 7.3538 7.3538 7.5378 7.5378 7.5411 7.5411 7.6594 7.6594 7.6598 7.6598 7.6696 7.6696 7.6708 7.6708 8.8234 8.8248 8.8268 8.8327 8.8523 8.8527 k = 0.2500 0.7239 0.5290 ( 13228 PWs) bands (ev): 1.8749 1.8749 1.8756 1.8756 2.2866 2.2866 2.2889 2.2889 2.7615 2.7615 2.7637 2.7637 4.4155 4.4155 4.4171 4.4171 5.1252 5.1252 5.1283 5.1283 5.3306 5.3306 5.3314 5.3314 6.2275 6.2275 6.2296 6.2296 6.4760 6.4760 6.4786 6.4786 6.7084 6.7084 6.7091 6.7091 6.7956 6.7956 6.7971 6.7971 6.9492 6.9492 6.9508 6.9508 7.1955 7.1955 7.1968 7.1968 7.3512 7.3512 7.3538 7.3538 7.5378 7.5378 7.5411 7.5411 7.6594 7.6594 7.6598 7.6598 7.6696 7.6696 7.6708 7.6708 8.8234 8.8242 8.8273 8.8299 8.8514 8.8531 k = 0.2333 0.7297 0.5113 ( 13242 PWs) bands (ev): 1.8737 1.8737 1.8744 1.8744 2.2885 2.2885 2.2908 2.2908 2.7613 2.7613 2.7636 2.7636 4.4144 4.4144 4.4164 4.4164 5.1156 5.1156 5.1242 5.1242 5.3360 5.3360 5.3427 5.3427 6.2250 6.2250 6.2283 6.2283 6.4756 6.4756 6.4781 6.4781 6.7074 6.7074 6.7089 6.7089 6.7960 6.7960 6.7976 6.7976 6.9509 6.9509 6.9527 6.9527 7.1953 7.1953 7.1969 7.1969 7.3526 7.3526 7.3552 7.3552 7.5368 7.5368 7.5400 7.5400 7.6505 7.6505 7.6538 7.6538 7.6766 7.6766 7.6793 7.6793 8.8197 8.8197 8.8234 8.8236 8.8510 8.8525 k = 0.2167 0.7355 0.4937 ( 13244 PWs) bands (ev): 1.8702 1.8702 1.8709 1.8709 2.2941 2.2941 2.2964 2.2964 2.7610 2.7610 2.7633 2.7633 4.4111 4.4111 4.4139 4.4139 5.0952 5.0952 5.1091 5.1091 5.3559 5.3559 5.3668 5.3668 6.2184 6.2184 6.2236 6.2236 6.4742 6.4742 6.4764 6.4764 6.7052 6.7052 6.7079 6.7079 6.7972 6.7972 6.7992 6.7992 6.9559 6.9559 6.9582 6.9582 7.1948 7.1948 7.1969 7.1969 7.3568 7.3568 7.3595 7.3595 7.5337 7.5337 7.5370 7.5370 7.6399 7.6399 7.6435 7.6435 7.6881 7.6881 7.6905 7.6905 8.8091 8.8091 8.8144 8.8144 8.8509 8.8516 k = 0.2000 0.7412 0.4761 ( 13238 PWs) bands (ev): 1.8648 1.8648 1.8655 1.8655 2.3031 2.3031 2.3053 2.3053 2.7604 2.7604 2.7627 2.7627 4.4059 4.4059 4.4096 4.4096 5.0706 5.0706 5.0874 5.0874 5.3851 5.3851 5.3979 5.3979 6.2087 6.2087 6.2157 6.2157 6.4716 6.4716 6.4733 6.4733 6.7031 6.7031 6.7064 6.7064 6.7992 6.7992 6.8019 6.8019 6.9630 6.9630 6.9661 6.9661 7.1943 7.1943 7.1968 7.1968 7.3636 7.3636 7.3663 7.3663 7.5291 7.5291 7.5324 7.5324 7.6302 7.6302 7.6337 7.6337 7.6995 7.6995 7.7015 7.7015 8.7923 8.7923 8.7998 8.7998 8.8515 8.8540 k = 0.1833 0.7470 0.4584 ( 13240 PWs) bands (ev): 1.8579 1.8579 1.8585 1.8585 2.3148 2.3148 2.3169 2.3169 2.7596 2.7596 2.7618 2.7618 4.3990 4.3990 4.4034 4.4034 5.0453 5.0453 5.0636 5.0636 5.4190 5.4190 5.4324 5.4324 6.1969 6.1969 6.2053 6.2053 6.4671 6.4671 6.4684 6.4684 6.7017 6.7017 6.7052 6.7052 6.8018 6.8018 6.8056 6.8056 6.9710 6.9710 6.9751 6.9751 7.1940 7.1940 7.1968 7.1968 7.3727 7.3727 7.3755 7.3755 7.5235 7.5235 7.5269 7.5269 7.6216 7.6216 7.6249 7.6249 7.7100 7.7100 7.7116 7.7116 8.7698 8.7698 8.7794 8.7794 8.8517 8.8575 k = 0.1667 0.7527 0.4408 ( 13232 PWs) bands (ev): 1.8499 1.8499 1.8504 1.8504 2.3287 2.3287 2.3307 2.3307 2.7586 2.7586 2.7608 2.7608 4.3903 4.3903 4.3953 4.3953 5.0214 5.0214 5.0402 5.0402 5.4547 5.4547 5.4680 5.4680 6.1838 6.1838 6.1930 6.1930 6.4605 6.4605 6.4615 6.4615 6.7020 6.7020 6.7052 6.7052 6.8049 6.8049 6.8099 6.8099 6.9785 6.9785 6.9838 6.9838 7.1941 7.1941 7.1970 7.1970 7.3837 7.3837 7.3866 7.3866 7.5179 7.5179 7.5214 7.5214 7.6141 7.6141 7.6171 7.6171 7.7192 7.7192 7.7207 7.7207 8.7427 8.7427 8.7535 8.7535 8.8517 8.8542 k = 0.1500 0.7585 0.4232 ( 13238 PWs) bands (ev): 1.8413 1.8413 1.8418 1.8418 2.3440 2.3440 2.3460 2.3460 2.7574 2.7574 2.7596 2.7596 4.3803 4.3803 4.3857 4.3857 5.0000 5.0000 5.0186 5.0186 5.4904 5.4904 5.5031 5.5031 6.1704 6.1704 6.1800 6.1800 6.4516 6.4516 6.4527 6.4527 6.7044 6.7044 6.7069 6.7069 6.8084 6.8084 6.8144 6.8144 6.9844 6.9844 6.9909 6.9909 7.1951 7.1951 7.1978 7.1978 7.3957 7.3957 7.3988 7.3988 7.5134 7.5134 7.5170 7.5170 7.6077 7.6077 7.6101 7.6101 7.7270 7.7270 7.7286 7.7286 8.7119 8.7119 8.7233 8.7233 8.8521 8.8531 k = 0.1333 0.7642 0.4055 ( 13236 PWs) bands (ev): 1.8326 1.8326 1.8330 1.8330 2.3601 2.3601 2.3619 2.3619 2.7561 2.7561 2.7582 2.7582 4.3692 4.3692 4.3747 4.3747 4.9816 4.9816 4.9995 4.9995 5.5248 5.5248 5.5366 5.5366 6.1575 6.1575 6.1671 6.1671 6.4409 6.4409 6.4420 6.4420 6.7089 6.7089 6.7106 6.7106 6.8119 6.8119 6.8189 6.8189 6.9880 6.9880 6.9955 6.9955 7.1969 7.1969 7.1993 7.1993 7.4075 7.4075 7.4109 7.4109 7.5113 7.5113 7.5148 7.5148 7.6022 7.6022 7.6040 7.6040 7.7332 7.7332 7.7352 7.7352 8.6790 8.6790 8.6903 8.6903 8.8523 8.8562 k = 0.1167 0.7700 0.3879 ( 13252 PWs) bands (ev): 1.8241 1.8241 1.8245 1.8245 2.3762 2.3762 2.3780 2.3780 2.7547 2.7547 2.7567 2.7567 4.3575 4.3575 4.3628 4.3628 4.9665 4.9665 4.9832 4.9832 5.5568 5.5568 5.5676 5.5676 6.1459 6.1459 6.1552 6.1552 6.4287 6.4287 6.4297 6.4297 6.7150 6.7150 6.7168 6.7168 6.8152 6.8152 6.8229 6.8229 6.9889 6.9889 6.9971 6.9971 7.1996 7.1996 7.2016 7.2016 7.4180 7.4180 7.4216 7.4216 7.5125 7.5125 7.5161 7.5161 7.5975 7.5975 7.5986 7.5986 7.7380 7.7380 7.7405 7.7405 8.6454 8.6454 8.6561 8.6561 8.8530 8.8552 k = 0.1000 0.7757 0.3703 ( 13250 PWs) bands (ev): 1.8162 1.8162 1.8165 1.8165 2.3918 2.3918 2.3934 2.3934 2.7532 2.7532 2.7552 2.7552 4.3457 4.3457 4.3506 4.3506 4.9546 4.9546 4.9697 4.9697 5.5858 5.5858 5.5954 5.5954 6.1363 6.1363 6.1449 6.1449 6.4156 6.4156 6.4165 6.4165 6.7223 6.7223 6.7252 6.7252 6.8178 6.8178 6.8262 6.8262 6.9874 6.9874 6.9959 6.9959 7.2029 7.2029 7.2046 7.2046 7.4262 7.4262 7.4297 7.4297 7.5175 7.5175 7.5211 7.5211 7.5936 7.5936 7.5945 7.5945 7.7415 7.7415 7.7444 7.7444 8.6127 8.6127 8.6223 8.6223 8.8536 8.8553 k = 0.0833 0.7815 0.3526 ( 13252 PWs) bands (ev): 1.8091 1.8091 1.8094 1.8094 2.4062 2.4062 2.4078 2.4078 2.7518 2.7518 2.7536 2.7536 4.3344 4.3344 4.3388 4.3388 4.9456 4.9456 4.9587 4.9587 5.6110 5.6110 5.6193 5.6193 6.1290 6.1290 6.1366 6.1366 6.4024 6.4024 6.4031 6.4031 6.7307 6.7307 6.7349 6.7349 6.8194 6.8194 6.8283 6.8283 6.9841 6.9841 6.9922 6.9922 7.2066 7.2066 7.2079 7.2079 7.4318 7.4318 7.4352 7.4352 7.5251 7.5251 7.5291 7.5291 7.5906 7.5906 7.5923 7.5923 7.7439 7.7439 7.7471 7.7471 8.5821 8.5821 8.5905 8.5905 8.8542 8.8550 k = 0.0667 0.7873 0.3350 ( 13250 PWs) bands (ev): 1.8031 1.8031 1.8033 1.8033 2.4189 2.4189 2.4203 2.4203 2.7504 2.7504 2.7522 2.7522 4.3242 4.3242 4.3279 4.3279 4.9392 4.9392 4.9501 4.9501 5.6321 5.6321 5.6389 5.6389 6.1242 6.1242 6.1306 6.1306 6.3897 6.3897 6.3903 6.3903 6.7400 6.7400 6.7453 6.7453 6.8200 6.8200 6.8290 6.8290 6.9799 6.9799 6.9871 6.9871 7.2101 7.2101 7.2112 7.2112 7.4354 7.4354 7.4385 7.4385 7.5332 7.5332 7.5377 7.5377 7.5893 7.5893 7.5920 7.5920 7.7454 7.7454 7.7487 7.7487 8.5550 8.5550 8.5620 8.5620 8.8555 8.8564 k = 0.0500 0.7930 0.3174 ( 13242 PWs) bands (ev): 1.7983 1.7983 1.7984 1.7984 2.4294 2.4294 2.4307 2.4307 2.7493 2.7493 2.7509 2.7509 4.3157 4.3157 4.3186 4.3186 4.9351 4.9351 4.9434 4.9434 5.6487 5.6487 5.6540 5.6540 6.1217 6.1217 6.1267 6.1267 6.3785 6.3785 6.3789 6.3789 6.7495 6.7495 6.7554 6.7554 6.8195 6.8195 6.8282 6.8282 6.9755 6.9755 6.9814 6.9814 7.2132 7.2132 7.2141 7.2141 7.4378 7.4378 7.4406 7.4406 7.5399 7.5399 7.5444 7.5444 7.5905 7.5905 7.5938 7.5938 7.7463 7.7463 7.7495 7.7495 8.5326 8.5326 8.5380 8.5380 8.8560 8.8573 k = 0.0333 0.7988 0.2998 ( 13236 PWs) bands (ev): 1.7947 1.7947 1.7948 1.7948 2.4373 2.4373 2.4384 2.4384 2.7484 2.7484 2.7499 2.7499 4.3093 4.3093 4.3114 4.3114 4.9329 4.9329 4.9385 4.9385 5.6607 5.6607 5.6644 5.6644 6.1208 6.1208 6.1243 6.1243 6.3696 6.3696 6.3699 6.3699 6.7585 6.7585 6.7640 6.7640 6.8184 6.8184 6.8258 6.8258 6.9721 6.9721 6.9763 6.9763 7.2156 7.2156 7.2163 7.2163 7.4395 7.4395 7.4420 7.4420 7.5443 7.5443 7.5480 7.5480 7.5938 7.5938 7.5966 7.5966 7.7467 7.7467 7.7497 7.7497 8.5160 8.5160 8.5197 8.5197 8.8567 8.8572 k = 0.0167 0.8045 0.2821 ( 13246 PWs) bands (ev): 1.7926 1.7926 1.7926 1.7926 2.4421 2.4421 2.4432 2.4432 2.7478 2.7478 2.7492 2.7492 4.3055 4.3055 4.3067 4.3067 4.9322 4.9322 4.9351 4.9351 5.6682 5.6682 5.6702 5.6702 6.1211 6.1211 6.1229 6.1229 6.3639 6.3639 6.3641 6.3641 6.7658 6.7658 6.7694 6.7694 6.8179 6.8179 6.8226 6.8226 6.9701 6.9701 6.9724 6.9724 7.2171 7.2171 7.2177 7.2177 7.4404 7.4404 7.4428 7.4428 7.5467 7.5467 7.5492 7.5492 7.5974 7.5974 7.5990 7.5990 7.7470 7.7470 7.7495 7.7495 8.5060 8.5060 8.5079 8.5079 8.8576 8.8605 k = 0.0000 0.8103 0.2645 ( 13230 PWs) bands (ev): 1.7919 1.7919 1.7919 1.7919 2.4438 2.4438 2.4448 2.4448 2.7476 2.7476 2.7490 2.7490 4.3043 4.3043 4.3050 4.3050 4.9327 4.9327 4.9332 4.9332 5.6709 5.6709 5.6719 5.6719 6.1217 6.1217 6.1220 6.1220 6.3620 6.3620 6.3620 6.3620 6.7697 6.7697 6.7703 6.7703 6.8187 6.8187 6.8201 6.8201 6.9696 6.9696 6.9708 6.9708 7.2176 7.2176 7.2182 7.2182 7.4407 7.4407 7.4430 7.4430 7.5476 7.5476 7.5492 7.5492 7.5993 7.5993 7.5995 7.5995 7.7471 7.7471 7.7494 7.7494 8.5031 8.5031 8.5034 8.5034 8.8589 8.8605 k = 0.0000 0.8103 0.2645 ( 13230 PWs) bands (ev): 1.7919 1.7919 1.7919 1.7919 2.4438 2.4438 2.4448 2.4448 2.7476 2.7476 2.7490 2.7490 4.3043 4.3043 4.3050 4.3050 4.9327 4.9327 4.9332 4.9332 5.6709 5.6709 5.6719 5.6719 6.1217 6.1217 6.1220 6.1220 6.3620 6.3620 6.3620 6.3620 6.7697 6.7697 6.7703 6.7703 6.8187 6.8187 6.8201 6.8201 6.9696 6.9696 6.9708 6.9708 7.2176 7.2176 7.2182 7.2182 7.4407 7.4407 7.4430 7.4430 7.5476 7.5476 7.5492 7.5492 7.5993 7.5993 7.5995 7.5995 7.7471 7.7471 7.7494 7.7494 8.5031 8.5031 8.5034 8.5034 8.8577 8.8597 k =-0.0194 0.8049 0.2810 ( 13238 PWs) bands (ev): 1.7831 1.7831 1.8019 1.8019 2.4289 2.4289 2.4596 2.4596 2.7225 2.7225 2.7712 2.7712 4.2884 4.2884 4.3228 4.3228 4.8855 4.8855 4.9831 4.9831 5.6300 5.6300 5.7137 5.7137 6.0958 6.0958 6.1368 6.1368 6.3483 6.3483 6.3847 6.3847 6.7472 6.7472 6.7830 6.7830 6.8098 6.8098 6.8414 6.8414 6.9613 6.9613 6.9797 6.9797 7.2128 7.2128 7.2208 7.2208 7.4313 7.4313 7.4452 7.4452 7.5454 7.5454 7.5542 7.5542 7.5865 7.5865 7.6192 7.6192 7.7469 7.7469 7.7513 7.7513 8.4894 8.4894 8.5150 8.5150 8.8295 8.8296 k =-0.0387 0.7995 0.2975 ( 13240 PWs) bands (ev): 1.7754 1.7754 1.8134 1.8134 2.4135 2.4135 2.4747 2.4747 2.6945 2.6945 2.7904 2.7904 4.2743 4.2743 4.3425 4.3425 4.8411 4.8411 5.0353 5.0353 5.5905 5.5905 5.7549 5.7549 6.0667 6.0667 6.1325 6.1325 6.3520 6.3520 6.4079 6.4079 6.7231 6.7231 6.7865 6.7865 6.8066 6.8066 6.8726 6.8726 6.9538 6.9538 6.9895 6.9895 7.2059 7.2059 7.2214 7.2214 7.4150 7.4150 7.4419 7.4419 7.5379 7.5379 7.5652 7.5652 7.5871 7.5871 7.6416 7.6416 7.7477 7.7477 7.7557 7.7557 8.4737 8.4737 8.5242 8.5242 8.7896 8.7896 k =-0.0581 0.7941 0.3141 ( 13236 PWs) bands (ev): 1.7685 1.7685 1.8265 1.8265 2.3986 2.3986 2.4894 2.4894 2.6650 2.6650 2.8051 2.8051 4.2627 4.2627 4.3635 4.3635 4.8002 4.8002 5.0892 5.0892 5.5535 5.5535 5.7919 5.7919 6.0412 6.0412 6.1090 6.1090 6.3731 6.3731 6.4259 6.4259 6.7042 6.7042 6.7853 6.7853 6.8057 6.8057 6.9037 6.9037 6.9511 6.9511 6.9999 6.9999 7.1976 7.1976 7.2196 7.2196 7.3949 7.3949 7.4350 7.4350 7.5263 7.5263 7.5796 7.5796 7.5985 7.5985 7.6646 7.6646 7.7503 7.7503 7.7628 7.7628 8.4566 8.4566 8.5301 8.5301 8.7438 8.7438 k =-0.0774 0.7887 0.3306 ( 13243 PWs) bands (ev): 1.7621 1.7621 1.8413 1.8413 2.3841 2.3841 2.5035 2.5035 2.6347 2.6347 2.8147 2.8147 4.2542 4.2542 4.3854 4.3854 4.7631 4.7631 5.1442 5.1442 5.5197 5.5197 5.8189 5.8189 6.0265 6.0265 6.0733 6.0733 6.4035 6.4035 6.4359 6.4359 6.6938 6.6938 6.7822 6.7822 6.8054 6.8054 6.9173 6.9173 6.9674 6.9674 7.0109 7.0109 7.1885 7.1885 7.2153 7.2153 7.3725 7.3725 7.4263 7.4263 7.5154 7.5154 7.5951 7.5951 7.6144 7.6144 7.6868 7.6868 7.7557 7.7557 7.7730 7.7730 8.4383 8.4383 8.5320 8.5320 8.6956 8.6956 k =-0.0968 0.7833 0.3471 ( 13241 PWs) bands (ev): 1.7560 1.7560 1.8578 1.8578 2.3706 2.3706 2.5166 2.5166 2.6046 2.6046 2.8183 2.8183 4.2491 4.2491 4.4078 4.4078 4.7301 4.7301 5.1998 5.1998 5.4893 5.4893 5.8288 5.8288 6.0253 6.0253 6.0363 6.0363 6.4218 6.4218 6.4516 6.4516 6.6926 6.6926 6.7780 6.7780 6.8051 6.8051 6.9137 6.9137 7.0005 7.0005 7.0232 7.0232 7.1798 7.1798 7.2087 7.2087 7.3485 7.3485 7.4172 7.4172 7.5068 7.5068 7.6099 7.6099 7.6313 7.6313 7.7070 7.7070 7.7648 7.7648 7.7873 7.7873 8.4192 8.4192 8.5289 8.5289 8.6479 8.6479 k =-0.1161 0.7779 0.3637 ( 13242 PWs) bands (ev): 1.7497 1.7497 1.8762 1.8762 2.3583 2.3583 2.5263 2.5263 2.5775 2.5775 2.8155 2.8155 4.2479 4.2479 4.4306 4.4306 4.7011 4.7011 5.2556 5.2556 5.4626 5.4626 5.8212 5.8212 5.9850 5.9850 6.0546 6.0546 6.4121 6.4121 6.4876 6.4876 6.6985 6.6985 6.7731 6.7731 6.8047 6.8047 6.9057 6.9057 7.0301 7.0301 7.0416 7.0416 7.1737 7.1737 7.2002 7.2002 7.3235 7.3235 7.4082 7.4082 7.5006 7.5007 7.6226 7.6226 7.6474 7.6474 7.7247 7.7247 7.7791 7.7791 7.8058 7.8058 8.3999 8.3999 8.5198 8.5198 8.6026 8.6026 k =-0.1355 0.7725 0.3802 ( 13253 PWs) bands (ev): 1.7430 1.7430 1.8965 1.8965 2.3474 2.3474 2.5218 2.5218 2.5644 2.5644 2.8059 2.8059 4.2509 4.2509 4.4532 4.4532 4.6761 4.6761 5.3107 5.3107 5.4395 5.4395 5.8032 5.8032 5.9394 5.9394 6.0894 6.0894 6.3930 6.3930 6.5262 6.5262 6.7077 6.7077 6.7678 6.7678 6.8042 6.8042 6.8960 6.8960 7.0459 7.0459 7.0696 7.0696 7.1735 7.1735 7.1911 7.1911 7.2981 7.2981 7.3998 7.3998 7.4961 7.4961 7.6324 7.6324 7.6617 7.6617 7.7400 7.7400 7.7993 7.7993 7.8274 7.8274 8.3810 8.3810 8.5043 8.5043 8.5616 8.5616 k =-0.1548 0.7671 0.3967 ( 13254 PWs) bands (ev): 1.7353 1.7353 1.9186 1.9186 2.3384 2.3384 2.4984 2.4984 2.5708 2.5708 2.7895 2.7895 4.2584 4.2584 4.4753 4.4753 4.6550 4.6550 5.3645 5.3645 5.4201 5.4201 5.7815 5.7815 5.8942 5.8942 6.1295 6.1295 6.3702 6.3702 6.5638 6.5638 6.7168 6.7168 6.7620 6.7620 6.8038 6.8038 6.8851 6.8851 7.0594 7.0594 7.0890 7.0890 7.1744 7.1744 7.1926 7.1926 7.2725 7.2725 7.3923 7.3923 7.4920 7.4920 7.6387 7.6387 7.6749 7.6749 7.7535 7.7535 7.8250 7.8250 7.8507 7.8507 8.3635 8.3635 8.4827 8.4827 8.5257 8.5257 k =-0.1742 0.7617 0.4133 ( 13254 PWs) bands (ev): 1.7264 1.7264 1.9427 1.9427 2.3312 2.3312 2.4700 2.4700 2.5829 2.5829 2.7667 2.7667 4.2705 4.2705 4.4966 4.4966 4.6375 4.6375 5.4010 5.4010 5.4192 5.4192 5.7595 5.7595 5.8509 5.8509 6.1708 6.1708 6.3464 6.3464 6.5988 6.5988 6.7238 6.7238 6.7561 6.7561 6.8037 6.8037 6.8734 6.8734 7.0714 7.0714 7.0982 7.0982 7.1650 7.1650 7.2169 7.2169 7.2471 7.2471 7.3863 7.3863 7.4870 7.4870 7.6417 7.6417 7.6881 7.6881 7.7654 7.7654 7.8552 7.8552 7.8744 7.8744 8.3490 8.3490 8.4575 8.4575 8.4945 8.4945 k =-0.1935 0.7563 0.4298 ( 13253 PWs) bands (ev): 1.7160 1.7160 1.9687 1.9687 2.3261 2.3261 2.4412 2.4412 2.5965 2.5965 2.7379 2.7379 4.2869 4.2869 4.5166 4.5166 4.6234 4.6234 5.3882 5.3882 5.4669 5.4669 5.7393 5.7393 5.8108 5.8108 6.2110 6.2110 6.3238 6.3238 6.6301 6.6301 6.7277 6.7277 6.7498 6.7498 6.8029 6.8029 6.8618 6.8618 7.0794 7.0794 7.1048 7.1048 7.1548 7.1548 7.2220 7.2220 7.2486 7.2486 7.3825 7.3825 7.4801 7.4801 7.6417 7.6417 7.7026 7.7026 7.7753 7.7753 7.8883 7.8883 7.8974 7.8974 8.3388 8.3388 8.4319 8.4319 8.4670 8.4670 k =-0.2129 0.7509 0.4463 ( 13253 PWs) bands (ev): 1.7036 1.7036 1.9965 1.9965 2.3228 2.3228 2.4131 2.4131 2.6110 2.6110 2.7044 2.7044 4.3071 4.3071 4.5349 4.5349 4.6125 4.6125 5.3754 5.3754 5.5117 5.5117 5.7217 5.7217 5.7754 5.7754 6.2485 6.2485 6.3039 6.3039 6.6563 6.6563 6.7286 6.7286 6.7434 6.7434 6.7998 6.7998 6.8526 6.8526 7.0825 7.0825 7.1136 7.1136 7.1461 7.1461 7.1977 7.1977 7.2790 7.2790 7.3826 7.3826 7.4708 7.4708 7.6395 7.6395 7.7188 7.7188 7.7827 7.7827 7.9177 7.9177 7.9243 7.9243 8.3343 8.3343 8.4082 8.4082 8.4434 8.4434 k =-0.2322 0.7455 0.4629 ( 13253 PWs) bands (ev): 1.6892 1.6892 2.0262 2.0262 2.3208 2.3208 2.3860 2.3860 2.6262 2.6262 2.6676 2.6676 4.3306 4.3306 4.5512 4.5512 4.6050 4.6050 5.3624 5.3624 5.5504 5.5504 5.7078 5.7078 5.7462 5.7462 6.2821 6.2821 6.2885 6.2885 6.6755 6.6755 6.7272 6.7272 6.7366 6.7366 6.7933 6.7933 6.8483 6.8483 7.0829 7.0829 7.1226 7.1226 7.1402 7.1402 7.1742 7.1742 7.3031 7.3031 7.3883 7.3883 7.4593 7.4593 7.6367 7.6367 7.7364 7.7364 7.7875 7.7875 7.9376 7.9376 7.9591 7.9591 8.3364 8.3364 8.3877 8.3877 8.4244 8.4244 k =-0.2516 0.7401 0.4794 ( 13244 PWs) bands (ev): 1.6724 1.6724 2.0576 2.0576 2.3190 2.3190 2.3604 2.3604 2.6294 2.6294 2.6422 2.6422 4.3564 4.3564 4.5649 4.5649 4.6013 4.6013 5.3479 5.3479 5.5804 5.5804 5.6988 5.6988 5.7251 5.7251 6.2786 6.2786 6.3113 6.3113 6.6847 6.6847 6.7240 6.7240 6.7294 6.7294 6.7862 6.7862 6.8489 6.8489 7.0828 7.0828 7.1274 7.1274 7.1393 7.1393 7.1514 7.1514 7.3181 7.3181 7.3991 7.3991 7.4463 7.4463 7.6355 7.6355 7.7543 7.7543 7.7900 7.7900 7.9553 7.9553 7.9929 7.9929 8.3442 8.3442 8.3726 8.3726 8.4105 8.4105 k =-0.2709 0.7347 0.4959 ( 13246 PWs) bands (ev): 1.6532 1.6532 2.0907 2.0907 2.3155 2.3155 2.3363 2.3363 2.5927 2.5927 2.6589 2.6589 4.3833 4.3833 4.5755 4.5755 4.6020 4.6020 5.3307 5.3307 5.5985 5.5985 5.6962 5.6962 5.7134 5.7134 6.2759 6.2759 6.3346 6.3346 6.6805 6.6805 6.7197 6.7197 6.7227 6.7227 6.7827 6.7827 6.8524 6.8524 7.0829 7.0829 7.1260 7.1260 7.1310 7.1310 7.1430 7.1430 7.3264 7.3264 7.4087 7.4087 7.4330 7.4330 7.6394 7.6394 7.7706 7.7706 7.7916 7.7916 7.9711 7.9711 8.0238 8.0238 8.3522 8.3522 8.3693 8.3693 8.4020 8.4020 k =-0.2903 0.7293 0.5124 ( 13246 PWs) bands (ev): 1.6315 1.6315 2.1254 2.1254 2.3074 2.3074 2.3142 2.3142 2.5611 2.5611 2.6765 2.6765 4.4097 4.4097 4.5838 4.5838 4.6074 4.6074 5.3104 5.3104 5.6032 5.6032 5.7000 5.7000 5.7119 5.7119 6.2812 6.2812 6.3516 6.3516 6.6640 6.6640 6.7145 6.7145 6.7169 6.7169 6.7840 6.7840 6.8574 6.8574 7.0835 7.0835 7.1072 7.1072 7.1284 7.1284 7.1453 7.1453 7.3320 7.3320 7.4092 7.4092 7.4214 7.4214 7.6509 7.6509 7.7825 7.7825 7.7943 7.7943 7.9852 7.9852 8.0503 8.0503 8.3535 8.3535 8.3817 8.3817 8.4011 8.4011 k =-0.3096 0.7239 0.5290 ( 13244 PWs) bands (ev): 1.6072 1.6072 2.1616 2.1616 2.2907 2.2907 2.2949 2.2949 2.5387 2.5387 2.6953 2.6953 4.4341 4.4341 4.5922 4.5922 4.6155 4.6155 5.2875 5.2875 5.5970 5.5970 5.7081 5.7081 5.7191 5.7191 6.2943 6.2943 6.3619 6.3619 6.6399 6.6399 6.7081 6.7081 6.7112 6.7112 6.7878 6.7878 6.8625 6.8625 7.0847 7.0847 7.0865 7.0865 7.1289 7.1289 7.1446 7.1446 7.3375 7.3375 7.3995 7.3995 7.4112 7.4112 7.6692 7.6692 7.7890 7.7890 7.7993 7.7993 7.9979 7.9979 8.0718 8.0718 8.3529 8.3529 8.3893 8.3893 8.4044 8.4048 k =-0.3096 0.7239 0.5290 ( 13244 PWs) bands (ev): 1.6072 1.6072 2.1616 2.1616 2.2907 2.2907 2.2949 2.2949 2.5387 2.5387 2.6953 2.6953 4.4341 4.4341 4.5922 4.5922 4.6155 4.6155 5.2875 5.2875 5.5970 5.5970 5.7081 5.7081 5.7191 5.7191 6.2943 6.2943 6.3619 6.3619 6.6399 6.6399 6.7081 6.7081 6.7112 6.7112 6.7878 6.7878 6.8625 6.8625 7.0847 7.0847 7.0865 7.0865 7.1289 7.1289 7.1446 7.1446 7.3375 7.3375 7.3995 7.3995 7.4112 7.4112 7.6692 7.6692 7.7890 7.7890 7.7993 7.7993 7.9979 7.9979 8.0718 8.0718 8.3529 8.3529 8.3893 8.3893 8.4042 8.4045 k =-0.3179 0.7000 0.5290 ( 13256 PWs) bands (ev): 1.5512 1.5512 2.2423 2.2423 2.2468 2.2468 2.2512 2.2512 2.5010 2.5010 2.7399 2.7399 4.4866 4.4866 4.6126 4.6126 4.6355 4.6355 5.2348 5.2348 5.5721 5.5721 5.7311 5.7311 5.7419 5.7419 6.3323 6.3323 6.3754 6.3754 6.5799 6.5799 6.6934 6.6934 6.6987 6.6987 6.7973 6.7973 6.8723 6.8723 7.0402 7.0402 7.0863 7.0863 7.1281 7.1281 7.1418 7.1418 7.3507 7.3507 7.3737 7.3737 7.3869 7.3869 7.7136 7.7136 7.7987 7.7987 7.8079 7.8079 8.0201 8.0201 8.1138 8.1138 8.3304 8.3304 8.3751 8.3751 8.3845 8.3845 k =-0.3262 0.6760 0.5290 ( 13260 PWs) bands (ev): 1.4975 1.4975 2.2035 2.2035 2.2080 2.2080 2.3196 2.3196 2.4629 2.4629 2.7887 2.7887 4.5429 4.5429 4.6328 4.6328 4.6552 4.6552 5.1829 5.1829 5.5449 5.5449 5.7542 5.7542 5.7649 5.7649 6.3712 6.3712 6.3853 6.3853 6.5183 6.5183 6.6801 6.6801 6.6876 6.6876 6.8052 6.8052 6.8791 6.8791 6.9928 6.9928 7.0847 7.0847 7.1228 7.1228 7.1432 7.1432 7.3498 7.3498 7.3653 7.3653 7.3662 7.3662 7.7551 7.7551 7.8036 7.8036 7.8114 7.8114 8.0341 8.0341 8.1562 8.1562 8.2842 8.2842 8.2987 8.2987 8.3924 8.3937 k =-0.3345 0.6520 0.5290 ( 13268 PWs) bands (ev): 1.4460 1.4460 2.1612 2.1612 2.1658 2.1658 2.3924 2.3924 2.4247 2.4247 2.8427 2.8427 4.6024 4.6024 4.6526 4.6526 4.6747 4.6747 5.1320 5.1320 5.5157 5.5157 5.7769 5.7769 5.7877 5.7877 6.3914 6.3914 6.4100 6.4100 6.4563 6.4563 6.6685 6.6685 6.6782 6.6782 6.8109 6.8109 6.8819 6.8819 6.9453 6.9453 7.0795 7.0795 7.1127 7.1127 7.1492 7.1492 7.3308 7.3308 7.3498 7.3498 7.3787 7.3787 7.7902 7.7902 7.8052 7.8052 7.8099 7.8099 8.0413 8.0413 8.1989 8.1989 8.2219 8.2219 8.2308 8.2308 8.4157 8.4160 k =-0.3427 0.6281 0.5290 ( 13236 PWs) bands (ev): 1.3969 1.3969 2.1198 2.1198 2.1245 2.1245 2.3867 2.3867 2.4595 2.4595 2.9027 2.9027 4.6636 4.6636 4.6720 4.6720 4.6949 4.6949 5.0824 5.0824 5.4849 5.4849 5.7988 5.7988 5.8097 5.8097 6.3900 6.3900 6.3983 6.3983 6.4482 6.4482 6.6590 6.6590 6.6711 6.6711 6.8141 6.8141 6.8742 6.8742 6.9046 6.9046 7.0699 7.0699 7.0982 7.0982 7.1601 7.1601 7.3157 7.3157 7.3380 7.3380 7.3915 7.3915 7.7950 7.7950 7.8026 7.8026 7.8267 7.8267 8.0429 8.0429 8.1529 8.1529 8.1744 8.1744 8.2419 8.2419 8.4489 8.4494 k =-0.3510 0.6041 0.5290 ( 13244 PWs) bands (ev): 1.3500 1.3500 2.0798 2.0798 2.0845 2.0845 2.3492 2.3492 2.5203 2.5203 2.9694 2.9694 4.6909 4.6909 4.7071 4.7071 4.7346 4.7346 5.0342 5.0342 5.4528 5.4528 5.8195 5.8195 5.8306 5.8306 6.3316 6.3316 6.3944 6.3944 6.4845 6.4845 6.6519 6.6519 6.6664 6.6664 6.8148 6.8148 6.8368 6.8368 6.8904 6.8904 7.0562 7.0562 7.0800 7.0800 7.1757 7.1757 7.3052 7.3052 7.3304 7.3304 7.4023 7.4023 7.7863 7.7863 7.7925 7.7925 7.8462 7.8462 8.0404 8.0404 8.0967 8.0967 8.1173 8.1173 8.2851 8.2851 8.4903 8.4905 k =-0.3593 0.5801 0.5290 ( 13232 PWs) bands (ev): 1.3055 1.3055 2.0411 2.0411 2.0459 2.0459 2.3126 2.3126 2.5746 2.5746 3.0427 3.0427 4.7092 4.7092 4.7266 4.7266 4.7999 4.7999 4.9878 4.9878 5.4195 5.4195 5.8387 5.8387 5.8501 5.8501 6.2705 6.2705 6.3912 6.3912 6.5172 6.5172 6.6472 6.6472 6.6643 6.6643 6.7903 6.7903 6.8130 6.8130 6.8836 6.8836 7.0389 7.0389 7.0593 7.0593 7.1956 7.1956 7.2991 7.2991 7.3267 7.3267 7.4098 7.4098 7.7742 7.7742 7.7797 7.7797 7.8493 7.8493 8.0347 8.0347 8.0593 8.0593 8.0623 8.0623 8.3285 8.3285 8.5383 8.5396 k =-0.3676 0.5562 0.5290 ( 13256 PWs) bands (ev): 1.2634 1.2634 2.0039 2.0039 2.0089 2.0089 2.2770 2.2770 2.6228 2.6228 3.1219 3.1219 4.7270 4.7270 4.7437 4.7437 4.8685 4.8685 4.9433 4.9433 5.3851 5.3851 5.8562 5.8562 5.8681 5.8681 6.2104 6.2104 6.3859 6.3859 6.5421 6.5421 6.6449 6.6449 6.6646 6.6646 6.7483 6.7483 6.8085 6.8085 6.8753 6.8753 7.0193 7.0193 7.0372 7.0372 7.2189 7.2189 7.2971 7.2971 7.3260 7.3260 7.4123 7.4123 7.7604 7.7604 7.7654 7.7654 7.8339 7.8339 8.0035 8.0035 8.0281 8.0281 8.0490 8.0490 8.3722 8.3722 8.5907 8.5915 k =-0.3758 0.5322 0.5290 ( 13240 PWs) bands (ev): 1.2238 1.2238 1.9685 1.9685 1.9734 1.9734 2.2427 2.2427 2.6654 2.6654 3.2062 3.2062 4.7440 4.7440 4.7599 4.7599 4.9007 4.9007 4.9385 4.9385 5.3498 5.3498 5.8721 5.8721 5.8843 5.8843 6.1518 6.1518 6.3788 6.3788 6.5498 6.5498 6.6446 6.6446 6.6672 6.6672 6.7210 6.7210 6.8016 6.8016 6.8646 6.8646 6.9984 6.9984 7.0148 7.0148 7.2445 7.2445 7.2989 7.2989 7.3279 7.3279 7.4080 7.4080 7.7456 7.7456 7.7503 7.7503 7.8088 7.8088 7.9493 7.9493 8.0187 8.0187 8.0532 8.0532 8.4163 8.4163 8.6464 8.6477 k =-0.3841 0.5082 0.5290 ( 13248 PWs) bands (ev): 1.1865 1.1865 1.9348 1.9348 1.9398 1.9398 2.2098 2.2098 2.7034 2.7034 3.2945 3.2945 4.7603 4.7603 4.7753 4.7753 4.8604 4.8604 5.0094 5.0094 5.3135 5.3135 5.8862 5.8862 5.8990 5.8990 6.0950 6.0950 6.3705 6.3705 6.5300 6.5300 6.6458 6.6458 6.6713 6.6713 6.7191 6.7191 6.7925 6.7925 6.8516 6.8516 6.9774 6.9774 6.9932 6.9932 7.2706 7.2706 7.3052 7.3052 7.3318 7.3318 7.3957 7.3957 7.7306 7.7306 7.7351 7.7351 7.7843 7.7843 7.8966 7.8966 8.0086 8.0086 8.0646 8.0646 8.4607 8.4607 8.7016 8.7043 k =-0.3924 0.4843 0.5290 ( 13236 PWs) bands (ev): 1.1517 1.1517 1.9030 1.9030 1.9081 1.9081 2.1785 2.1785 2.7375 2.7375 3.3857 3.3857 4.7757 4.7757 4.7897 4.7897 4.8224 4.8224 5.0806 5.0806 5.2762 5.2762 5.8988 5.8988 5.9122 5.9122 6.0404 6.0404 6.3614 6.3614 6.4882 6.4882 6.6480 6.6480 6.6761 6.6761 6.7376 6.7376 6.7813 6.7813 6.8366 6.8366 6.9573 6.9573 6.9734 6.9734 7.2926 7.2926 7.3194 7.3194 7.3374 7.3374 7.3755 7.3755 7.7158 7.7158 7.7200 7.7200 7.7652 7.7652 7.8461 7.8461 7.9979 7.9979 8.0780 8.0780 8.5056 8.5056 8.7112 8.7112 k =-0.4007 0.4603 0.5290 ( 13240 PWs) bands (ev): 1.1194 1.1194 1.8732 1.8732 1.8783 1.8783 2.1490 2.1490 2.7681 2.7681 3.4791 3.4791 4.7861 4.7861 4.7908 4.7908 4.8032 4.8032 5.1515 5.1515 5.2381 5.2381 5.9099 5.9099 5.9240 5.9240 5.9885 5.9885 6.3518 6.3518 6.4361 6.4361 6.6504 6.6504 6.6805 6.6805 6.7653 6.7653 6.7684 6.7684 6.8202 6.8202 6.9391 6.9391 6.9566 6.9566 7.3069 7.3069 7.3431 7.3431 7.3445 7.3445 7.3499 7.3499 7.7012 7.7012 7.7052 7.7052 7.7518 7.7518 7.7978 7.7978 7.9872 7.9872 8.0918 8.0918 8.5511 8.5511 8.6990 8.6990 k =-0.4090 0.4363 0.5290 ( 13240 PWs) bands (ev): 1.0896 1.0896 1.8455 1.8455 1.8506 1.8506 2.1213 2.1213 2.7958 2.7958 3.5738 3.5738 4.7535 4.7535 4.8038 4.8038 4.8157 4.8157 5.1986 5.1986 5.2219 5.2219 5.9182 5.9182 5.9347 5.9347 5.9411 5.9411 6.3422 6.3422 6.3796 6.3796 6.6522 6.6522 6.6834 6.6834 6.7540 6.7540 6.7932 6.7932 6.8060 6.8060 6.9237 6.9237 6.9437 6.9437 7.3131 7.3131 7.3238 7.3238 7.3528 7.3528 7.3736 7.3736 7.6866 7.6866 7.6907 7.6907 7.7418 7.7418 7.7525 7.7525 7.9765 7.9765 8.1058 8.1058 8.5972 8.5972 8.6870 8.6870 k =-0.4172 0.4124 0.5290 ( 13232 PWs) bands (ev): 1.0623 1.0623 1.8200 1.8200 1.8251 1.8251 2.0957 2.0957 2.8208 2.8208 3.6691 3.6691 4.7230 4.7230 4.8163 4.8163 4.8272 4.8272 5.1582 5.1582 5.2904 5.2904 5.8908 5.8908 5.9315 5.9315 5.9447 5.9447 6.3217 6.3217 6.3326 6.3326 6.6527 6.6527 6.6839 6.6839 6.7383 6.7383 6.7819 6.7819 6.8316 6.8316 6.9118 6.9118 6.9354 6.9354 7.2841 7.2841 7.3330 7.3330 7.3625 7.3625 7.4037 7.4037 7.6710 7.6710 7.6763 7.6763 7.7100 7.7100 7.7337 7.7337 7.9661 7.9661 8.1207 8.1207 8.6440 8.6440 8.6758 8.6758 k =-0.4255 0.3884 0.5290 ( 13228 PWs) bands (ev): 1.0376 1.0376 1.7967 1.7967 1.8018 1.8018 2.0722 2.0722 2.8433 2.8433 3.7644 3.7644 4.6952 4.6952 4.8278 4.8278 4.8377 4.8377 5.1164 5.1164 5.3568 5.3568 5.8488 5.8488 5.9394 5.9394 5.9539 5.9539 6.2642 6.2642 6.3235 6.3235 6.6515 6.6515 6.6812 6.6812 6.7216 6.7216 6.7633 6.7633 6.8646 6.8646 6.9037 6.9037 6.9320 6.9320 7.2519 7.2519 7.3466 7.3466 7.3734 7.3734 7.4333 7.4333 7.6497 7.6497 7.6620 7.6620 7.6761 7.6761 7.7240 7.7240 7.9563 7.9563 8.1372 8.1372 8.6652 8.6652 8.6916 8.6916 k =-0.4338 0.3644 0.5290 ( 13240 PWs) bands (ev): 1.0154 1.0154 1.7757 1.7757 1.7809 1.7809 2.0509 2.0509 2.8634 2.8634 3.8592 3.8592 4.6701 4.6701 4.8381 4.8381 4.8470 4.8470 5.0730 5.0730 5.4202 5.4202 5.8100 5.8100 5.9474 5.9474 5.9625 5.9625 6.2083 6.2083 6.3149 6.3149 6.6486 6.6486 6.6752 6.6752 6.7044 6.7044 6.7451 6.7451 6.8976 6.8976 6.8991 6.8991 6.9329 6.9329 7.2211 7.2211 7.3618 7.3618 7.3854 7.3854 7.4616 7.4616 7.6174 7.6174 7.6480 7.6480 7.6550 7.6550 7.7121 7.7121 7.9471 7.9471 8.1561 8.1561 8.6554 8.6554 8.7398 8.7398 k =-0.4421 0.3404 0.5290 ( 13280 PWs) bands (ev): 0.9958 0.9958 1.7570 1.7570 1.7622 1.7622 2.0319 2.0319 2.8812 2.8812 3.9527 3.9527 4.6479 4.6479 4.8472 4.8472 4.8553 4.8553 5.0277 5.0277 5.4795 5.4795 5.7754 5.7754 5.9549 5.9549 5.9705 5.9705 6.1553 6.1553 6.3070 6.3070 6.6442 6.6442 6.6662 6.6662 6.6874 6.6874 6.7283 6.7283 6.8976 6.8976 6.9297 6.9297 6.9376 6.9376 7.1928 7.1928 7.3782 7.3782 7.3985 7.3985 7.4880 7.4880 7.5820 7.5820 7.6339 7.6339 7.6390 7.6390 7.6976 7.6976 7.9388 7.9388 8.1773 8.1773 8.6463 8.6463 8.7880 8.7880 k =-0.4503 0.3165 0.5290 ( 13296 PWs) bands (ev): 0.9788 0.9788 1.7407 1.7407 1.7460 1.7460 2.0153 2.0153 2.8967 2.8967 4.0444 4.0444 4.6285 4.6285 4.8551 4.8551 4.8624 4.8624 4.9804 4.9804 5.5337 5.5337 5.7452 5.7452 5.9619 5.9619 5.9779 5.9779 6.1066 6.1066 6.3000 6.3000 6.6387 6.6387 6.6550 6.6550 6.6711 6.6711 6.7136 6.7136 6.8983 6.8983 6.9432 6.9432 6.9619 6.9619 7.1675 7.1675 7.3957 7.3957 7.4125 7.4125 7.5120 7.5120 7.5479 7.5479 7.6195 7.6195 7.6238 7.6238 7.6811 7.6811 7.9313 7.9313 8.2006 8.2006 8.6381 8.6381 8.8328 8.8328 k =-0.4586 0.2925 0.5290 ( 13328 PWs) bands (ev): 0.9644 0.9644 1.7269 1.7269 1.7321 1.7321 2.0012 2.0012 2.9099 2.9099 4.1335 4.1335 4.6120 4.6120 4.8618 4.8618 4.8685 4.8685 4.9310 4.9310 5.5812 5.5812 5.7203 5.7203 5.9683 5.9683 5.9840 5.9840 6.0635 6.0635 6.2939 6.2939 6.6323 6.6323 6.6428 6.6428 6.6566 6.6566 6.7013 6.7013 6.9003 6.9003 6.9505 6.9505 6.9915 6.9915 7.1457 7.1457 7.4142 7.4142 7.4270 7.4270 7.5165 7.5165 7.5329 7.5329 7.6046 7.6046 7.6085 7.6085 7.6636 7.6636 7.9249 7.9249 8.2251 8.2251 8.6309 8.6309 8.8604 8.8605 k =-0.4669 0.2685 0.5290 ( 13292 PWs) bands (ev): 0.9525 0.9525 1.7156 1.7156 1.7208 1.7208 1.9895 1.9895 2.9208 2.9208 4.2186 4.2186 4.5985 4.5985 4.8673 4.8673 4.8734 4.8734 4.8798 4.8798 5.6195 5.6195 5.7022 5.7022 5.9740 5.9740 5.9872 5.9872 6.0287 6.0287 6.2888 6.2888 6.6254 6.6254 6.6308 6.6308 6.6448 6.6448 6.6914 6.6914 6.9030 6.9030 6.9577 6.9577 7.0187 7.0187 7.1276 7.1276 7.4332 7.4332 7.4408 7.4408 7.4898 7.4898 7.5500 7.5500 7.5896 7.5896 7.5931 7.5931 7.6466 7.6466 7.9195 7.9195 8.2494 8.2494 8.6247 8.6247 8.8405 8.8409 k =-0.4752 0.2446 0.5290 ( 13284 PWs) bands (ev): 0.9433 0.9433 1.7067 1.7067 1.7119 1.7119 1.9804 1.9804 2.9292 2.9292 4.2981 4.2981 4.5879 4.5879 4.8276 4.8276 4.8716 4.8716 4.8772 4.8772 5.6430 5.6430 5.6956 5.6956 5.9783 5.9783 5.9809 5.9809 6.0102 6.0102 6.2848 6.2848 6.6181 6.6181 6.6202 6.6202 6.6363 6.6363 6.6839 6.6839 6.9057 6.9057 6.9640 6.9640 7.0425 7.0425 7.1134 7.1134 7.4457 7.4457 7.4527 7.4527 7.4764 7.4764 7.5599 7.5599 7.5752 7.5752 7.5795 7.5795 7.6314 7.6314 7.9153 7.9153 8.2718 8.2718 8.6198 8.6198 8.8172 8.8172 k =-0.4834 0.2206 0.5290 ( 13284 PWs) bands (ev): 0.9368 0.9368 1.7004 1.7004 1.7056 1.7056 1.9739 1.9739 2.9353 2.9353 4.3685 4.3685 4.5804 4.5804 4.7773 4.7773 4.8746 4.8746 4.8799 4.8799 5.6476 5.6476 5.7039 5.7039 5.9640 5.9640 5.9824 5.9824 6.0080 6.0080 6.2819 6.2819 6.6112 6.6112 6.6124 6.6124 6.6309 6.6309 6.6785 6.6785 6.9079 6.9079 6.9688 6.9688 7.0614 7.0614 7.1032 7.1032 7.4343 7.4343 7.4716 7.4716 7.4849 7.4849 7.5520 7.5520 7.5599 7.5599 7.5805 7.5805 7.6194 7.6194 7.9123 7.9123 8.2902 8.2902 8.6162 8.6162 8.7974 8.7974 k =-0.4917 0.1966 0.5290 ( 13284 PWs) bands (ev): 0.9328 0.9328 1.6965 1.6965 1.7018 1.7018 1.9700 1.9700 2.9390 2.9390 4.4219 4.4219 4.5758 4.5758 4.7362 4.7362 4.8764 4.8764 4.8815 4.8815 5.6451 5.6451 5.7144 5.7144 5.9517 5.9517 5.9846 5.9846 6.0090 6.0090 6.2801 6.2801 6.6062 6.6062 6.6078 6.6078 6.6279 6.6279 6.6754 6.6754 6.9093 6.9093 6.9719 6.9719 7.0737 7.0737 7.0970 7.0970 7.4232 7.4232 7.4891 7.4891 7.4988 7.4988 7.5372 7.5372 7.5449 7.5449 7.5854 7.5854 7.6117 7.6117 7.9104 7.9104 8.3025 8.3025 8.6140 8.6140 8.7841 8.7841 k =-0.5000 0.1727 0.5290 ( 13324 PWs) bands (ev): 0.9315 0.9315 1.6953 1.6953 1.7005 1.7005 1.9687 1.9687 2.9402 2.9402 4.4434 4.4434 4.5743 4.5743 4.7188 4.7188 4.8771 4.8771 4.8821 4.8821 5.6437 5.6437 5.7185 5.7185 5.9475 5.9475 5.9854 5.9854 6.0095 6.0095 6.2795 6.2795 6.6045 6.6045 6.6062 6.6062 6.6270 6.6270 6.6743 6.6743 6.9098 6.9098 6.9729 6.9729 7.0780 7.0780 7.0950 7.0950 7.4191 7.4191 7.4987 7.4987 7.5070 7.5070 7.5282 7.5282 7.5367 7.5367 7.5873 7.5873 7.6091 7.6091 7.9098 7.9098 8.3068 8.3068 8.6133 8.6133 8.7794 8.7794 k = 0.0000 0.0000 0.5290 ( 13306 PWs) bands (ev): 0.6374 0.6374 1.1789 1.1789 2.2595 2.2595 2.9184 2.9184 2.9441 2.9441 4.1007 4.1007 4.6326 4.6326 4.6441 4.6441 4.7041 4.7041 5.4625 5.4625 5.4738 5.4738 5.6721 5.6721 5.7647 5.7647 5.9911 5.9911 6.1231 6.1231 6.1811 6.1811 6.2240 6.2240 6.3465 6.3465 6.4976 6.4976 6.5543 6.5543 6.6427 6.6427 6.8238 6.8238 6.9843 6.9843 7.0564 7.0564 7.0909 7.0909 7.1904 7.1904 7.3368 7.3368 7.6735 7.6735 7.7617 7.7617 7.7868 7.7868 8.0796 8.0796 8.2132 8.2132 8.2279 8.2279 8.2373 8.2373 8.3324 8.3324 k = 0.0083 0.0241 0.5290 ( 13282 PWs) bands (ev): 0.6388 0.6388 1.1804 1.1804 2.2602 2.2602 2.9183 2.9183 2.9441 2.9441 4.1023 4.1023 4.5785 4.5785 4.6441 4.6441 4.7534 4.7534 5.4627 5.4627 5.4741 5.4741 5.6655 5.6655 5.7652 5.7652 5.9944 5.9944 6.1232 6.1232 6.1869 6.1869 6.2247 6.2247 6.3489 6.3489 6.4972 6.4972 6.5520 6.5520 6.6428 6.6428 6.8259 6.8259 6.9834 6.9834 7.0562 7.0562 7.0908 7.0908 7.1912 7.1912 7.3378 7.3378 7.6719 7.6719 7.7629 7.7629 7.7852 7.7852 8.0787 8.0787 8.2156 8.2156 8.2327 8.2327 8.2358 8.2358 8.3321 8.3321 k = 0.0167 0.0483 0.5290 ( 13270 PWs) bands (ev): 0.6433 0.6433 1.1849 1.1849 2.2624 2.2624 2.9179 2.9179 2.9442 2.9442 4.1068 4.1068 4.4960 4.4960 4.6444 4.6444 4.8212 4.8212 5.4633 5.4633 5.4750 5.4750 5.6466 5.6466 5.7667 5.7667 6.0041 6.0041 6.1239 6.1239 6.2032 6.2032 6.2270 6.2270 6.3556 6.3556 6.4958 6.4958 6.5452 6.5452 6.6431 6.6431 6.8322 6.8322 6.9807 6.9807 7.0557 7.0557 7.0904 7.0904 7.1937 7.1937 7.3408 7.3408 7.6670 7.6670 7.7663 7.7663 7.7811 7.7811 8.0769 8.0769 8.2218 8.2218 8.2296 8.2296 8.2486 8.2486 8.3313 8.3313 k = 0.0250 0.0724 0.5290 ( 13264 PWs) bands (ev): 0.6506 0.6506 1.1923 1.1923 2.2660 2.2660 2.9172 2.9172 2.9444 2.9444 4.1145 4.1145 4.4078 4.4078 4.6448 4.6448 4.8845 4.8845 5.4637 5.4637 5.4762 5.4762 5.6183 5.6183 5.7694 5.7694 6.0201 6.0201 6.1260 6.1260 6.2277 6.2277 6.2308 6.2308 6.3664 6.3664 6.4936 6.4936 6.5344 6.5344 6.6435 6.6435 6.8427 6.8427 6.9763 6.9763 7.0552 7.0552 7.0899 7.0899 7.1979 7.1979 7.3455 7.3455 7.6591 7.6591 7.7674 7.7674 7.7792 7.7792 8.0755 8.0755 8.2205 8.2205 8.2309 8.2309 8.2722 8.2722 8.3300 8.3300 k = 0.0333 0.0965 0.5290 ( 13268 PWs) bands (ev): 0.6609 0.6609 1.2028 1.2028 2.2710 2.2710 2.9161 2.9161 2.9446 2.9446 4.1251 4.1251 4.3165 4.3165 4.6450 4.6450 4.9408 4.9408 5.4626 5.4626 5.4777 5.4777 5.5845 5.5845 5.7733 5.7733 6.0415 6.0415 6.1312 6.1312 6.2358 6.2358 6.2581 6.2581 6.3807 6.3807 6.4905 6.4905 6.5202 6.5202 6.6441 6.6441 6.8571 6.8571 6.9702 6.9702 7.0549 7.0549 7.0893 7.0893 7.2038 7.2038 7.3517 7.3517 7.6485 7.6485 7.7598 7.7598 7.7865 7.7865 8.0754 8.0754 8.2080 8.2080 8.2429 8.2429 8.3018 8.3018 8.3281 8.3281 k = 0.0417 0.1207 0.5290 ( 13264 PWs) bands (ev): 0.6742 0.6742 1.2162 1.2162 2.2774 2.2774 2.9147 2.9147 2.9447 2.9447 4.1388 4.1388 4.2230 4.2230 4.6447 4.6447 4.9889 4.9889 5.4561 5.4561 5.4791 5.4791 5.5517 5.5517 5.7786 5.7786 6.0655 6.0655 6.1429 6.1429 6.2421 6.2421 6.2919 6.2919 6.3977 6.3977 6.4865 6.4865 6.5035 6.5035 6.6450 6.6450 6.8752 6.8752 6.9625 6.9625 7.0551 7.0551 7.0887 7.0887 7.2116 7.2116 7.3590 7.3590 7.6356 7.6356 7.7490 7.7490 7.7982 7.7982 8.0766 8.0766 8.1923 8.1923 8.2572 8.2572 8.3255 8.3255 8.3359 8.3359 k = 0.0500 0.1448 0.5290 ( 13260 PWs) bands (ev): 0.6903 0.6903 1.2325 1.2325 2.2853 2.2853 2.9127 2.9127 2.9447 2.9447 4.1277 4.1277 4.1556 4.1556 4.6436 4.6436 5.0283 5.0283 5.4359 5.4359 5.4802 5.4802 5.5300 5.5300 5.7855 5.7855 6.0871 6.0871 6.1668 6.1668 6.2493 6.2493 6.3272 6.3272 6.4170 6.4170 6.4816 6.4816 6.4854 6.4854 6.6461 6.6461 6.8965 6.8965 6.9533 6.9533 7.0562 7.0562 7.0881 7.0881 7.2216 7.2216 7.3670 7.3670 7.6207 7.6207 7.7373 7.7373 7.8126 7.8126 8.0783 8.0783 8.1738 8.1738 8.2734 8.2734 8.3226 8.3226 8.3729 8.3729 k = 0.0583 0.1689 0.5290 ( 13266 PWs) bands (ev): 0.7093 0.7093 1.2516 1.2516 2.2945 2.2945 2.9102 2.9102 2.9444 2.9444 4.0316 4.0316 4.1752 4.1752 4.6412 4.6412 5.0592 5.0592 5.3987 5.3987 5.4805 5.4805 5.5243 5.5243 5.7945 5.7945 6.1033 6.1033 6.2056 6.2056 6.2570 6.2570 6.3622 6.3622 6.4380 6.4380 6.4671 6.4671 6.4766 6.4766 6.6475 6.6475 6.9204 6.9204 6.9428 6.9428 7.0584 7.0584 7.0878 7.0878 7.2342 7.2342 7.3753 7.3753 7.6043 7.6043 7.7256 7.7256 7.8293 7.8293 8.0795 8.0795 8.1528 8.1528 8.2909 8.2909 8.3191 8.3191 8.4126 8.4126 k = 0.0667 0.1931 0.5290 ( 13278 PWs) bands (ev): 0.7313 0.7313 1.2737 1.2737 2.3050 2.3050 2.9068 2.9068 2.9438 2.9438 3.9348 3.9348 4.1979 4.1979 4.6370 4.6370 5.0819 5.0819 5.3515 5.3515 5.4797 5.4797 5.5286 5.5286 5.8056 5.8056 6.1163 6.1163 6.2556 6.2556 6.2656 6.2656 6.3932 6.3932 6.4515 6.4515 6.4605 6.4605 6.4724 6.4724 6.6493 6.6493 6.9309 6.9309 6.9465 6.9465 7.0619 7.0619 7.0878 7.0878 7.2500 7.2500 7.3834 7.3834 7.5867 7.5867 7.7145 7.7145 7.8481 7.8481 8.0789 8.0789 8.1295 8.1295 8.3066 8.3066 8.3178 8.3178 8.4544 8.4544 k = 0.0750 0.2172 0.5290 ( 13278 PWs) bands (ev): 0.7561 0.7561 1.2985 1.2985 2.3169 2.3169 2.9026 2.9026 2.9426 2.9426 3.8376 3.8376 4.2235 4.2235 4.6308 4.6308 5.0973 5.0973 5.2999 5.2999 5.4774 5.4774 5.5384 5.5384 5.8193 5.8193 6.1290 6.1290 6.2708 6.2708 6.3160 6.3160 6.4065 6.4065 6.4517 6.4517 6.4678 6.4678 6.4870 6.4870 6.6514 6.6514 6.9185 6.9185 6.9732 6.9732 7.0670 7.0670 7.0883 7.0883 7.2696 7.2696 7.3909 7.3909 7.5683 7.5683 7.7045 7.7045 7.8686 7.8686 8.0756 8.0756 8.1044 8.1044 8.3063 8.3063 8.3319 8.3319 8.4981 8.4981 k = 0.0833 0.2413 0.5290 ( 13270 PWs) bands (ev): 0.7837 0.7837 1.3260 1.3260 2.3300 2.3300 2.8973 2.8973 2.9407 2.9407 3.7405 3.7405 4.2520 4.2520 4.6221 4.6221 5.1064 5.1064 5.2463 5.2463 5.4734 5.4734 5.5522 5.5522 5.8357 5.8357 6.1427 6.1427 6.2753 6.2753 6.3775 6.3775 6.4003 6.4003 6.4547 6.4547 6.4864 6.4864 6.5128 6.5128 6.6541 6.6541 6.9053 6.9053 7.0000 7.0000 7.0736 7.0736 7.0897 7.0897 7.2936 7.2936 7.3976 7.3976 7.5495 7.5495 7.6958 7.6958 7.8904 7.8904 8.0671 8.0671 8.0797 8.0797 8.3001 8.3001 8.3506 8.3506 8.5434 8.5434 k = 0.0917 0.2654 0.5290 ( 13264 PWs) bands (ev): 0.8141 0.8141 1.3563 1.3563 2.3443 2.3443 2.8907 2.8907 2.9377 2.9377 3.6438 3.6438 4.2834 4.2834 4.6108 4.6108 5.1104 5.1104 5.1920 5.1920 5.4674 5.4674 5.5694 5.5694 5.8549 5.8549 6.1577 6.1577 6.2758 6.2758 6.3813 6.3813 6.4486 6.4486 6.4535 6.4535 6.5163 6.5163 6.5423 6.5423 6.6573 6.6573 6.8918 6.8918 7.0258 7.0258 7.0811 7.0811 7.0925 7.0925 7.3224 7.3224 7.4030 7.4030 7.5307 7.5307 7.6890 7.6890 7.9129 7.9129 8.0456 8.0456 8.0636 8.0636 8.2919 8.2919 8.3688 8.3688 8.5901 8.5901 k = 0.1000 0.2896 0.5290 ( 13264 PWs) bands (ev): 0.8474 0.8474 1.3891 1.3891 2.3599 2.3599 2.8827 2.8827 2.9335 2.9335 3.5479 3.5479 4.3175 4.3175 4.5966 4.5966 5.1101 5.1101 5.1378 5.1378 5.4593 5.4593 5.5899 5.5899 5.8771 5.8771 6.1744 6.1744 6.2705 6.2705 6.3686 6.3686 6.4538 6.4538 6.5098 6.5098 6.5467 6.5467 6.5808 6.5808 6.6612 6.6612 6.8783 6.8783 7.0499 7.0499 7.0880 7.0880 7.0984 7.0984 7.3551 7.3551 7.4070 7.4070 7.5122 7.5122 7.6848 7.6848 7.9343 7.9343 8.0190 8.0190 8.0502 8.0502 8.2817 8.2817 8.3845 8.3845 8.6375 8.6375 k = 0.1083 0.3137 0.5290 ( 13264 PWs) bands (ev): 0.8833 0.8833 1.4245 1.4245 2.3766 2.3766 2.8729 2.8729 2.9274 2.9274 3.4535 3.4535 4.3545 4.3545 4.5799 4.5799 5.0830 5.0830 5.1078 5.1078 5.4490 5.4490 5.6136 5.6136 5.9022 5.9022 6.1925 6.1925 6.2583 6.2583 6.3571 6.3571 6.4587 6.4587 6.5556 6.5556 6.5761 6.5761 6.6363 6.6363 6.6663 6.6663 6.8650 6.8650 7.0718 7.0718 7.0931 7.0931 7.1086 7.1086 7.3897 7.3897 7.4097 7.4097 7.4946 7.4946 7.6843 7.6843 7.9457 7.9457 8.0011 8.0011 8.0352 8.0352 8.2688 8.2688 8.3954 8.3954 8.6846 8.6846 k = 0.1167 0.3378 0.5290 ( 13262 PWs) bands (ev): 0.9221 0.9221 1.4623 1.4623 2.3944 2.3944 2.8612 2.8612 2.9187 2.9187 3.3612 3.3612 4.3942 4.3942 4.5608 4.5608 5.0299 5.0299 5.1025 5.1025 5.4368 5.4368 5.6405 5.6405 5.9302 5.9302 6.2120 6.2120 6.2386 6.2386 6.3475 6.3475 6.4678 6.4678 6.5886 6.5886 6.6038 6.6038 6.6698 6.6698 6.7079 6.7079 6.8523 6.8523 7.0914 7.0914 7.0982 7.0982 7.1215 7.1215 7.4070 7.4070 7.4265 7.4265 7.4784 7.4784 7.6894 7.6894 7.9297 7.9297 8.0099 8.0099 8.0197 8.0197 8.2528 8.2528 8.3978 8.3978 8.6909 8.6910 k = 0.1250 0.3620 0.5290 ( 13256 PWs) bands (ev): 0.9634 0.9634 1.5025 1.5025 2.4132 2.4132 2.8472 2.8472 2.9061 2.9061 3.2723 3.2723 4.4365 4.4365 4.5398 4.5398 4.9777 4.9777 5.0961 5.0961 5.4225 5.4225 5.6703 5.6703 5.9610 5.9610 6.2116 6.2116 6.2328 6.2328 6.3398 6.3398 6.4803 6.4803 6.6162 6.6162 6.6298 6.6298 6.6768 6.6768 6.7817 6.7817 6.8404 6.8404 7.1028 7.1028 7.1100 7.1100 7.1362 7.1362 7.4055 7.4055 7.4524 7.4524 7.4658 7.4658 7.7024 7.7024 7.8986 7.8986 8.0051 8.0051 8.0345 8.0345 8.2328 8.2328 8.3873 8.3873 8.6673 8.6673 k = 0.1333 0.3861 0.5290 ( 13240 PWs) bands (ev): 1.0075 1.0075 1.5449 1.5449 2.4329 2.4329 2.8308 2.8308 2.8876 2.8876 3.1891 3.1891 4.4813 4.4813 4.5178 4.5178 4.9266 4.9266 5.0892 5.0892 5.4065 5.4065 5.7030 5.7030 5.9942 5.9942 6.1783 6.1783 6.2543 6.2543 6.3340 6.3340 6.4955 6.4955 6.6405 6.6405 6.6542 6.6542 6.6853 6.6853 6.8287 6.8287 6.8569 6.8569 7.1093 7.1093 7.1258 7.1258 7.1522 7.1522 7.4012 7.4012 7.4490 7.4490 7.4752 7.4752 7.7232 7.7232 7.8634 7.8634 7.9968 7.9968 8.0631 8.0631 8.2083 8.2083 8.3619 8.3619 8.6599 8.6599 k = 0.1417 0.4102 0.5290 ( 13242 PWs) bands (ev): 1.0541 1.0541 1.5895 1.5895 2.4536 2.4536 2.8116 2.8116 2.8595 2.8595 3.1151 3.1151 4.4943 4.4943 4.5295 4.5295 4.8769 4.8769 5.0823 5.0823 5.3890 5.3890 5.7383 5.7383 6.0298 6.0298 6.1391 6.1391 6.2766 6.2766 6.3298 6.3298 6.5123 6.5123 6.6603 6.6603 6.6772 6.6772 6.6972 6.6972 6.8187 6.8187 6.9294 6.9294 7.1167 7.1167 7.1399 7.1399 7.1691 7.1691 7.3948 7.3948 7.4389 7.4389 7.4823 7.4823 7.7458 7.7458 7.8265 7.8265 8.0012 8.0012 8.0944 8.0944 8.1791 8.1791 8.3240 8.3240 8.6666 8.6666 k = 0.1500 0.4344 0.5290 ( 13242 PWs) bands (ev): 1.1033 1.1033 1.6360 1.6360 2.4751 2.4751 2.7895 2.7895 2.8175 2.8175 3.0548 3.0548 4.4720 4.4720 4.5792 4.5792 4.8286 4.8286 5.0760 5.0760 5.3701 5.3701 5.7757 5.7757 6.0672 6.0672 6.0949 6.0949 6.2994 6.2994 6.3269 6.3269 6.5301 6.5301 6.6744 6.6744 6.6991 6.6991 6.7141 6.7141 6.8093 6.8093 6.9985 6.9985 7.1253 7.1253 7.1520 7.1520 7.1867 7.1867 7.3869 7.3869 7.4310 7.4310 7.4805 7.4805 7.7602 7.7602 7.7893 7.7893 8.0264 8.0264 8.1272 8.1272 8.1467 8.1467 8.2780 8.2780 8.6831 8.6831 k = 0.1583 0.4585 0.5290 ( 13240 PWs) bands (ev): 1.1551 1.1551 1.6845 1.6845 2.4973 2.4973 2.7586 2.7586 2.7652 2.7652 3.0099 3.0099 4.4505 4.4505 4.6315 4.6315 4.7820 4.7820 5.0707 5.0707 5.3501 5.3501 5.8151 5.8151 6.0451 6.0451 6.1074 6.1074 6.3216 6.3216 6.3255 6.3255 6.5482 6.5482 6.6842 6.6842 6.7194 6.7194 6.7347 6.7347 6.8007 6.8007 7.0614 7.0614 7.1358 7.1358 7.1614 7.1614 7.2045 7.2045 7.3776 7.3776 7.4258 7.4258 7.4728 7.4728 7.7508 7.7508 7.7628 7.7628 8.0747 8.0747 8.1068 8.1068 8.1669 8.1669 8.2273 8.2273 8.7056 8.7056 k = 0.1667 0.4826 0.5290 ( 13236 PWs) bands (ev): 1.2093 1.2093 1.7347 1.7347 2.5201 2.5201 2.6886 2.6886 2.7360 2.7360 2.9775 2.9775 4.4306 4.4306 4.6861 4.6861 4.7372 4.7372 5.0667 5.0667 5.3293 5.3293 5.8559 5.8559 5.9917 5.9917 6.1482 6.1482 6.3230 6.3230 6.3454 6.3454 6.5663 6.5663 6.6921 6.6921 6.7385 6.7385 6.7567 6.7567 6.7927 6.7927 7.1121 7.1121 7.1527 7.1527 7.1674 7.1674 7.2222 7.2222 7.3669 7.3669 7.4242 7.4242 7.4623 7.4623 7.7160 7.7160 7.7524 7.7524 8.0653 8.0653 8.1420 8.1420 8.1736 8.1736 8.2086 8.2086 8.7264 8.7266 k = 0.1750 0.5068 0.5290 ( 13222 PWs) bands (ev): 1.2659 1.2659 1.7865 1.7865 2.5435 2.5435 2.6104 2.6104 2.7042 2.7042 2.9524 2.9524 4.4131 4.4131 4.6942 4.6942 4.7429 4.7429 5.0642 5.0642 5.3078 5.3078 5.8976 5.8976 5.9346 5.9346 6.1903 6.1903 6.3214 6.3214 6.3677 6.3677 6.5841 6.5841 6.6990 6.6990 6.7567 6.7567 6.7783 6.7783 6.7852 6.7852 7.1382 7.1382 7.1679 7.1679 7.1873 7.1873 7.2390 7.2390 7.3552 7.3552 7.4267 7.4267 7.4521 7.4521 7.6834 7.6834 7.7364 7.7364 8.0221 8.0221 8.1195 8.1195 8.2197 8.2197 8.2544 8.2544 8.7384 8.7385 k = 0.1833 0.5309 0.5290 ( 13216 PWs) bands (ev): 1.3249 1.3249 1.8397 1.8397 2.5284 2.5284 2.5674 2.5674 2.6689 2.6689 2.9309 2.9309 4.3986 4.3986 4.6533 4.6533 4.8017 4.8017 5.0635 5.0635 5.2860 5.2860 5.8742 5.8742 5.9399 5.9399 6.2328 6.2328 6.3194 6.3194 6.3894 6.3894 6.6012 6.6012 6.7054 6.7054 6.7734 6.7734 6.7789 6.7789 6.7983 6.7983 7.1504 7.1504 7.1627 7.1627 7.2264 7.2264 7.2541 7.2541 7.3431 7.3431 7.4324 7.4324 7.4461 7.4461 7.6552 7.6552 7.7173 7.7173 7.9776 7.9776 8.0648 8.0648 8.3019 8.3019 8.3073 8.3073 8.7545 8.7545 k = 0.1917 0.5550 0.5290 ( 13240 PWs) bands (ev): 1.3862 1.3862 1.8941 1.8941 2.4448 2.4448 2.5916 2.5916 2.6304 2.6304 2.9110 2.9110 4.3873 4.3873 4.6145 4.6145 4.8624 4.8624 5.0648 5.0648 5.2641 5.2641 5.8111 5.8111 5.9822 5.9822 6.2752 6.2752 6.3163 6.3163 6.4100 6.4100 6.6175 6.6175 6.7118 6.7118 6.7700 6.7700 6.7928 6.7928 6.8160 6.8160 7.1492 7.1492 7.1597 7.1597 7.2596 7.2596 7.2653 7.2653 7.3328 7.3328 7.4368 7.4368 7.4512 7.4512 7.6331 7.6331 7.6967 7.6967 7.9326 7.9326 8.0102 8.0102 8.3621 8.3621 8.3901 8.3901 8.7747 8.7747 k = 0.2000 0.5792 0.5290 ( 13230 PWs) bands (ev): 1.4498 1.4498 1.9495 1.9495 2.3608 2.3608 2.5887 2.5887 2.6161 2.6161 2.8914 2.8914 4.3797 4.3797 4.5779 4.5779 4.9248 4.9248 5.0682 5.0682 5.2423 5.2423 5.7459 5.7459 6.0238 6.0238 6.3118 6.3118 6.3167 6.3167 6.4291 6.4291 6.6330 6.6330 6.7186 6.7186 6.7626 6.7626 6.8108 6.8108 6.8301 6.8301 7.1298 7.1298 7.1655 7.1655 7.2691 7.2691 7.2855 7.2855 7.3278 7.3278 7.4410 7.4410 7.4670 7.4670 7.6183 7.6183 7.6752 7.6752 7.8879 7.8879 7.9562 7.9562 8.4247 8.4247 8.4755 8.4755 8.7977 8.7977 k = 0.2083 0.6033 0.5290 ( 13228 PWs) bands (ev): 1.5155 1.5155 2.0057 2.0057 2.2771 2.2771 2.5441 2.5441 2.6407 2.6407 2.8716 2.8716 4.3760 4.3760 4.5438 4.5438 4.9886 4.9886 5.0738 5.0738 5.2210 5.2210 5.6788 5.6788 6.0643 6.0643 6.3054 6.3054 6.3560 6.3560 6.4463 6.4463 6.6475 6.6475 6.7261 6.7261 6.7548 6.7548 6.8293 6.8293 6.8398 6.8398 7.1043 7.1043 7.1695 7.1695 7.2633 7.2633 7.3050 7.3050 7.3304 7.3304 7.4495 7.4495 7.4886 7.4886 7.6112 7.6112 7.6532 7.6532 7.8444 7.8444 7.9031 7.9031 8.4920 8.4920 8.5575 8.5575 8.8217 8.8217 k = 0.2167 0.6274 0.5290 ( 13222 PWs) bands (ev): 1.5834 1.5834 2.0624 2.0624 2.1943 2.1943 2.4967 2.4967 2.6653 2.6653 2.8514 2.8514 4.3763 4.3763 4.5124 4.5124 5.0526 5.0526 5.0826 5.0826 5.2004 5.2004 5.6104 5.6104 6.1029 6.1029 6.2965 6.2965 6.3920 6.3920 6.4609 6.4609 6.6613 6.6613 6.7352 6.7352 6.7466 6.7466 6.8413 6.8413 6.8513 6.8513 7.0749 7.0749 7.1723 7.1723 7.2512 7.2512 7.3201 7.3201 7.3370 7.3370 7.4622 7.4622 7.5149 7.5149 7.6114 7.6114 7.6310 7.6310 7.8027 7.8027 7.8512 7.8512 8.5631 8.5631 8.6338 8.6338 8.8442 8.8442 k = 0.2250 0.6516 0.5290 ( 13246 PWs) bands (ev): 1.6534 1.6534 2.1125 2.1125 2.1194 2.1194 2.4470 2.4470 2.6898 2.6898 2.8305 2.8305 4.3805 4.3805 4.4837 4.4837 5.0878 5.0878 5.1226 5.1226 5.1815 5.1815 5.5411 5.5411 6.1392 6.1392 6.2848 6.2848 6.4231 6.4231 6.4724 6.4724 6.6742 6.6742 6.7379 6.7379 6.7466 6.7466 6.8387 6.8387 6.8725 6.8725 7.0433 7.0433 7.1751 7.1751 7.2367 7.2367 7.3323 7.3323 7.3440 7.3440 7.4782 7.4782 7.5456 7.5456 7.6083 7.6083 7.6182 7.6182 7.7636 7.7636 7.8007 7.8007 8.6361 8.6361 8.7023 8.7023 8.8612 8.8612 k = 0.2333 0.6757 0.5290 ( 13246 PWs) bands (ev): 1.7253 1.7253 2.0320 2.0320 2.1763 2.1763 2.3951 2.3951 2.7140 2.7140 2.8089 2.8089 4.3886 4.3886 4.4580 4.4580 5.1002 5.1002 5.1568 5.1568 5.1952 5.1952 5.4712 5.4712 6.1725 6.1725 6.2697 6.2697 6.4480 6.4480 6.4798 6.4798 6.6864 6.6864 6.7288 6.7288 6.7607 6.7607 6.8292 6.8292 6.8961 6.8961 7.0112 7.0112 7.1797 7.1797 7.2219 7.2219 7.3421 7.3421 7.3493 7.3493 7.4966 7.4966 7.5783 7.5783 7.5876 7.5876 7.6302 7.6302 7.7276 7.7276 7.7521 7.7521 8.7079 8.7079 8.7615 8.7615 8.8672 8.8672 k = 0.2417 0.6998 0.5290 ( 13236 PWs) bands (ev): 1.7992 1.7992 1.9530 1.9530 2.2329 2.2329 2.3416 2.3416 2.7380 2.7380 2.7866 2.7866 4.4006 4.4006 4.4355 4.4355 5.1135 5.1135 5.1413 5.1413 5.2615 5.2615 5.4012 5.4012 6.2024 6.2024 6.2510 6.2510 6.4657 6.4657 6.4822 6.4822 6.6979 6.6979 6.7191 6.7191 6.7774 6.7774 6.8146 6.8146 6.9221 6.9221 6.9797 6.9797 7.1869 7.1869 7.2079 7.2079 7.3494 7.3494 7.3519 7.3519 7.5168 7.5168 7.5628 7.5628 7.6188 7.6188 7.6476 7.6476 7.6952 7.6952 7.7060 7.7060 8.7739 8.7739 8.8110 8.8110 8.8562 8.8564 k = 0.2500 0.7239 0.5290 ( 13228 PWs) bands (ev): 1.8749 1.8749 1.8756 1.8756 2.2866 2.2866 2.2889 2.2889 2.7615 2.7615 2.7637 2.7637 4.4155 4.4155 4.4171 4.4171 5.1252 5.1252 5.1283 5.1283 5.3306 5.3306 5.3314 5.3314 6.2275 6.2275 6.2296 6.2296 6.4760 6.4760 6.4786 6.4786 6.7084 6.7084 6.7091 6.7091 6.7956 6.7956 6.7971 6.7971 6.9492 6.9492 6.9508 6.9508 7.1955 7.1955 7.1968 7.1968 7.3512 7.3512 7.3538 7.3538 7.5378 7.5378 7.5411 7.5411 7.6594 7.6594 7.6598 7.6598 7.6696 7.6696 7.6708 7.6708 8.8234 8.8237 8.8267 8.8279 8.8516 8.8529 Writing output data file Zr5Al3.save init_run : 0.25s CPU 0.40s WALL ( 1 calls) electrons : 921.06s CPU 928.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 921.06s CPU 928.06s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.31s WALL ( 223 calls) cegterg : 833.66s CPU 839.54s WALL ( 801 calls) Called by sum_band: Called by *egterg: h_psi : 549.09s CPU 553.06s WALL ( 15287 calls) s_psi : 49.87s CPU 49.73s WALL ( 15287 calls) g_psi : 1.61s CPU 1.68s WALL ( 14263 calls) cdiaghg : 172.44s CPU 174.38s WALL ( 14486 calls) cegterg:over : 45.21s CPU 45.74s WALL ( 14263 calls) cegterg:upda : 49.82s CPU 49.59s WALL ( 14263 calls) cegterg:last : 23.18s CPU 23.26s WALL ( 2094 calls) cdiaghg:chol : 10.08s CPU 10.16s WALL ( 14486 calls) cdiaghg:inve : 6.95s CPU 7.23s WALL ( 14486 calls) cdiaghg:para : 12.51s CPU 12.36s WALL ( 28972 calls) Called by h_psi: h_psi:vloc : 428.99s CPU 432.86s WALL ( 15287 calls) h_psi:vnl : 117.79s CPU 117.89s WALL ( 15287 calls) add_vuspsi : 61.30s CPU 61.05s WALL ( 15287 calls) General routines calbec : 56.42s CPU 56.79s WALL ( 15287 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 404.32s CPU 408.17s WALL ( 1817004 calls) davcio : 0.28s CPU 0.55s WALL ( 446 calls) Parallel routines fft_scatter : 111.70s CPU 113.04s WALL ( 1817019 calls) PWSCF : 15m51.74s CPU 16m16.09s WALL This run was terminated on: 19:40:57 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=