Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:37:38 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: ./BaxNiAsx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 45 13 1146 680 112 Max 64 46 14 1148 696 115 Sum 2291 1627 481 41293 24737 4057 bravais-lattice index = 14 lattice parameter (alat) = 12.3208 a.u. unit-cell volume = 674.3923 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.320768 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.798204 celldm(5)= -0.798204 celldm(6)= 0.596408 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.596408 0.802681 0.000000 ) a(3) = ( -0.798204 -0.401341 0.449217 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.743020 1.113048 ) b(2) = ( 0.000000 1.245825 1.113048 ) b(3) = ( 0.000000 0.000000 2.226096 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0000000 0.0206120), wk = 0.0029412 k( 3) = ( 0.0000000 0.0000000 0.0412240), wk = 0.0029412 k( 4) = ( 0.0000000 0.0000000 0.0618360), wk = 0.0029412 k( 5) = ( 0.0000000 0.0000000 0.0824480), wk = 0.0029412 k( 6) = ( 0.0000000 0.0000000 0.1030600), wk = 0.0029412 k( 7) = ( 0.0000000 0.0000000 0.1236720), wk = 0.0029412 k( 8) = ( 0.0000000 0.0000000 0.1442840), wk = 0.0029412 k( 9) = ( 0.0000000 0.0000000 0.1648960), wk = 0.0029412 k( 10) = ( 0.0000000 0.0000000 0.1855080), wk = 0.0029412 k( 11) = ( 0.0000000 0.0000000 0.2061200), wk = 0.0029412 k( 12) = ( 0.0000000 0.0000000 0.2267320), wk = 0.0029412 k( 13) = ( 0.0000000 0.0000000 0.2473440), wk = 0.0029412 k( 14) = ( 0.0000000 0.0000000 0.2679560), wk = 0.0029412 k( 15) = ( 0.0000000 0.0000000 0.2885680), wk = 0.0029412 k( 16) = ( 0.0000000 0.0000000 0.3091800), wk = 0.0029412 k( 17) = ( 0.0000000 0.0000000 0.3297920), wk = 0.0029412 k( 18) = ( 0.0000000 0.0000000 0.3504040), wk = 0.0029412 k( 19) = ( 0.0000000 0.0000000 0.3710160), wk = 0.0029412 k( 20) = ( 0.0000000 0.0000000 0.3916280), wk = 0.0029412 k( 21) = ( 0.0000000 0.0000000 0.4122400), wk = 0.0029412 k( 22) = ( 0.0000000 0.0000000 0.4328520), wk = 0.0029412 k( 23) = ( 0.0000000 0.0000000 0.4534640), wk = 0.0029412 k( 24) = ( 0.0000000 0.0000000 0.4740760), wk = 0.0029412 k( 25) = ( 0.0000000 0.0000000 0.4946880), wk = 0.0029412 k( 26) = ( 0.0000000 0.0000000 0.5153000), wk = 0.0029412 k( 27) = ( 0.0000000 0.0000000 0.5359120), wk = 0.0029412 k( 28) = ( 0.0000000 0.0000000 0.5565240), wk = 0.0029412 k( 29) = ( 0.0000000 0.0000000 0.5771360), wk = 0.0029412 k( 30) = ( 0.0000000 0.0000000 0.5977480), wk = 0.0029412 k( 31) = ( 0.0000000 0.0000000 0.6183600), wk = 0.0029412 k( 32) = ( 0.0000000 0.0000000 0.6389720), wk = 0.0029412 k( 33) = ( 0.0000000 0.0000000 0.6595839), wk = 0.0029412 k( 34) = ( 0.0000000 0.0000000 0.6801959), wk = 0.0029412 k( 35) = ( 0.0000000 0.0000000 0.7008079), wk = 0.0029412 k( 36) = ( 0.0000000 0.0000000 0.7214199), wk = 0.0029412 k( 37) = ( 0.0000000 0.0000000 0.7420319), wk = 0.0029412 k( 38) = ( 0.0000000 0.0000000 0.7626439), wk = 0.0029412 k( 39) = ( 0.0000000 0.0000000 0.7832559), wk = 0.0029412 k( 40) = ( 0.0000000 0.0000000 0.8038679), wk = 0.0029412 k( 41) = ( 0.0000000 0.0000000 0.8244799), wk = 0.0029412 k( 42) = ( 0.0000000 0.0000000 0.8450919), wk = 0.0029412 k( 43) = ( 0.0000000 0.0000000 0.8657039), wk = 0.0029412 k( 44) = ( 0.0000000 0.0000000 0.8863159), wk = 0.0029412 k( 45) = ( 0.0000000 0.0000000 0.9069279), wk = 0.0029412 k( 46) = ( 0.0000000 0.0000000 0.9275399), wk = 0.0029412 k( 47) = ( 0.0000000 0.0000000 0.9481519), wk = 0.0029412 k( 48) = ( 0.0000000 0.0000000 0.9687639), wk = 0.0029412 k( 49) = ( 0.0000000 0.0000000 0.9893759), wk = 0.0029412 k( 50) = ( 0.0000000 0.0000000 1.0099879), wk = 0.0029412 k( 51) = ( 0.0000000 0.0000000 1.0305999), wk = 0.0029412 k( 52) = ( 0.0000000 0.0000000 1.0512119), wk = 0.0029412 k( 53) = ( 0.0000000 0.0000000 1.0718239), wk = 0.0029412 k( 54) = ( 0.0000000 0.0000000 1.0924359), wk = 0.0029412 k( 55) = ( 0.0000000 0.0000000 1.1130479), wk = 0.0029412 k( 56) = ( 0.0000000 0.0000000 1.1130479), wk = 0.0029412 k( 57) = ( -0.0090290 0.0179573 1.1130479), wk = 0.0029412 k( 58) = ( -0.0180580 0.0359146 1.1130479), wk = 0.0029412 k( 59) = ( -0.0270870 0.0538719 1.1130479), wk = 0.0029412 k( 60) = ( -0.0361160 0.0718292 1.1130479), wk = 0.0029412 k( 61) = ( -0.0451451 0.0897865 1.1130479), wk = 0.0029412 k( 62) = ( -0.0541741 0.1077438 1.1130479), wk = 0.0029412 k( 63) = ( -0.0632031 0.1257011 1.1130479), wk = 0.0029412 k( 64) = ( -0.0632031 0.1257011 1.1130479), wk = 0.0029412 k( 65) = ( -0.0696266 0.1384764 1.0987486), wk = 0.0029412 k( 66) = ( -0.0760501 0.1512517 1.0844493), wk = 0.0029412 k( 67) = ( -0.0824736 0.1640271 1.0701500), wk = 0.0029412 k( 68) = ( -0.0888970 0.1768024 1.0558507), wk = 0.0029412 k( 69) = ( -0.0953205 0.1895777 1.0415514), wk = 0.0029412 k( 70) = ( -0.1017440 0.2023530 1.0272522), wk = 0.0029412 k( 71) = ( -0.1081675 0.2151283 1.0129529), wk = 0.0029412 k( 72) = ( -0.1145910 0.2279036 0.9986536), wk = 0.0029412 k( 73) = ( -0.1210144 0.2406789 0.9843543), wk = 0.0029412 k( 74) = ( -0.1274379 0.2534542 0.9700550), wk = 0.0029412 k( 75) = ( -0.1338614 0.2662296 0.9557557), wk = 0.0029412 k( 76) = ( -0.1402849 0.2790049 0.9414564), wk = 0.0029412 k( 77) = ( -0.1467084 0.2917802 0.9271571), wk = 0.0029412 k( 78) = ( -0.1531319 0.3045555 0.9128578), wk = 0.0029412 k( 79) = ( -0.1595554 0.3173308 0.8985585), wk = 0.0029412 k( 80) = ( -0.1659788 0.3301061 0.8842593), wk = 0.0029412 k( 81) = ( -0.1724023 0.3428814 0.8699600), wk = 0.0029412 k( 82) = ( -0.1788258 0.3556567 0.8556607), wk = 0.0029412 k( 83) = ( -0.1852493 0.3684320 0.8413614), wk = 0.0029412 k( 84) = ( -0.1916728 0.3812073 0.8270621), wk = 0.0029412 k( 85) = ( -0.1980963 0.3939827 0.8127628), wk = 0.0029412 k( 86) = ( -0.2045197 0.4067580 0.7984635), wk = 0.0029412 k( 87) = ( -0.2109432 0.4195333 0.7841642), wk = 0.0029412 k( 88) = ( -0.2173667 0.4323086 0.7698649), wk = 0.0029412 k( 89) = ( -0.2237902 0.4450839 0.7555656), wk = 0.0029412 k( 90) = ( -0.2302137 0.4578592 0.7412664), wk = 0.0029412 k( 91) = ( -0.2366372 0.4706345 0.7269670), wk = 0.0029412 k( 92) = ( -0.2430606 0.4834098 0.7126678), wk = 0.0029412 k( 93) = ( -0.2494841 0.4961851 0.6983685), wk = 0.0029412 k( 94) = ( -0.2559076 0.5089604 0.6840692), wk = 0.0029412 k( 95) = ( -0.2623311 0.5217358 0.6697699), wk = 0.0029412 k( 96) = ( -0.2687546 0.5345111 0.6554706), wk = 0.0029412 k( 97) = ( -0.2751781 0.5472864 0.6411713), wk = 0.0029412 k( 98) = ( -0.2816015 0.5600617 0.6268720), wk = 0.0029412 k( 99) = ( -0.2816015 0.5600617 0.6268720), wk = 0.0029412 k( 100) = ( -0.2750527 0.5470370 0.6122936), wk = 0.0029412 k( 101) = ( -0.2685038 0.5340123 0.5977152), wk = 0.0029412 k( 102) = ( -0.2619549 0.5209876 0.5831368), wk = 0.0029412 k( 103) = ( -0.2554060 0.5079629 0.5685583), wk = 0.0029412 k( 104) = ( -0.2488572 0.4949382 0.5539799), wk = 0.0029412 k( 105) = ( -0.2423083 0.4819136 0.5394015), wk = 0.0029412 k( 106) = ( -0.2357594 0.4688889 0.5248231), wk = 0.0029412 k( 107) = ( -0.2292106 0.4558642 0.5102447), wk = 0.0029412 k( 108) = ( -0.2226617 0.4428395 0.4956663), wk = 0.0029412 k( 109) = ( -0.2161128 0.4298148 0.4810878), wk = 0.0029412 k( 110) = ( -0.2095639 0.4167901 0.4665094), wk = 0.0029412 k( 111) = ( -0.2030151 0.4037654 0.4519310), wk = 0.0029412 k( 112) = ( -0.1964662 0.3907407 0.4373526), wk = 0.0029412 k( 113) = ( -0.1899173 0.3777160 0.4227741), wk = 0.0029412 k( 114) = ( -0.1833684 0.3646913 0.4081957), wk = 0.0029412 k( 115) = ( -0.1768196 0.3516667 0.3936173), wk = 0.0029412 k( 116) = ( -0.1702707 0.3386419 0.3790389), wk = 0.0029412 k( 117) = ( -0.1637218 0.3256173 0.3644605), wk = 0.0029412 k( 118) = ( -0.1571730 0.3125926 0.3498821), wk = 0.0029412 k( 119) = ( -0.1506241 0.2995679 0.3353036), wk = 0.0029412 k( 120) = ( -0.1440752 0.2865432 0.3207252), wk = 0.0029412 k( 121) = ( -0.1375263 0.2735185 0.3061468), wk = 0.0029412 k( 122) = ( -0.1309775 0.2604938 0.2915684), wk = 0.0029412 k( 123) = ( -0.1244286 0.2474691 0.2769900), wk = 0.0029412 k( 124) = ( -0.1178797 0.2344444 0.2624115), wk = 0.0029412 k( 125) = ( -0.1113308 0.2214197 0.2478331), wk = 0.0029412 k( 126) = ( -0.1047820 0.2083950 0.2332547), wk = 0.0029412 k( 127) = ( -0.0982331 0.1953704 0.2186763), wk = 0.0029412 k( 128) = ( -0.0916842 0.1823457 0.2040979), wk = 0.0029412 k( 129) = ( -0.0851353 0.1693210 0.1895194), wk = 0.0029412 k( 130) = ( -0.0785865 0.1562963 0.1749410), wk = 0.0029412 k( 131) = ( -0.0720376 0.1432716 0.1603626), wk = 0.0029412 k( 132) = ( -0.0654887 0.1302469 0.1457842), wk = 0.0029412 k( 133) = ( -0.0589399 0.1172222 0.1312058), wk = 0.0029412 k( 134) = ( -0.0523910 0.1041975 0.1166274), wk = 0.0029412 k( 135) = ( -0.0458421 0.0911728 0.1020489), wk = 0.0029412 k( 136) = ( -0.0392932 0.0781481 0.0874705), wk = 0.0029412 k( 137) = ( -0.0327444 0.0651235 0.0728921), wk = 0.0029412 k( 138) = ( -0.0261955 0.0520988 0.0583137), wk = 0.0029412 k( 139) = ( -0.0196466 0.0390741 0.0437353), wk = 0.0029412 k( 140) = ( -0.0130978 0.0260494 0.0291568), wk = 0.0029412 k( 141) = ( -0.0065489 0.0130247 0.0145784), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 144) = ( 0.0185185 0.0093112 0.0000000), wk = 0.0029412 k( 145) = ( 0.0370370 0.0186224 0.0000000), wk = 0.0029412 k( 146) = ( 0.0555556 0.0279336 0.0000000), wk = 0.0029412 k( 147) = ( 0.0740741 0.0372448 0.0000000), wk = 0.0029412 k( 148) = ( 0.0925926 0.0465560 0.0000000), wk = 0.0029412 k( 149) = ( 0.1111111 0.0558672 0.0000000), wk = 0.0029412 k( 150) = ( 0.1296296 0.0651784 0.0000000), wk = 0.0029412 k( 151) = ( 0.1481482 0.0744896 0.0000000), wk = 0.0029412 k( 152) = ( 0.1666667 0.0838008 0.0000000), wk = 0.0029412 k( 153) = ( 0.1851852 0.0931119 0.0000000), wk = 0.0029412 k( 154) = ( 0.2037037 0.1024231 0.0000000), wk = 0.0029412 k( 155) = ( 0.2222222 0.1117343 0.0000000), wk = 0.0029412 k( 156) = ( 0.2407407 0.1210455 0.0000000), wk = 0.0029412 k( 157) = ( 0.2592593 0.1303567 0.0000000), wk = 0.0029412 k( 158) = ( 0.2777778 0.1396679 0.0000000), wk = 0.0029412 k( 159) = ( 0.2962963 0.1489791 0.0000000), wk = 0.0029412 k( 160) = ( 0.3148148 0.1582903 0.0000000), wk = 0.0029412 k( 161) = ( 0.3333333 0.1676015 0.0000000), wk = 0.0029412 k( 162) = ( 0.3518519 0.1769127 0.0000000), wk = 0.0029412 k( 163) = ( 0.3703704 0.1862239 0.0000000), wk = 0.0029412 k( 164) = ( 0.3888889 0.1955351 0.0000000), wk = 0.0029412 k( 165) = ( 0.4074074 0.2048463 0.0000000), wk = 0.0029412 k( 166) = ( 0.4259259 0.2141575 0.0000000), wk = 0.0029412 k( 167) = ( 0.4444444 0.2234687 0.0000000), wk = 0.0029412 k( 168) = ( 0.4629630 0.2327799 0.0000000), wk = 0.0029412 k( 169) = ( 0.4814815 0.2420911 0.0000000), wk = 0.0029412 k( 170) = ( 0.5000000 0.2514023 0.0000000), wk = 0.0029412 k( 171) = ( 0.5000000 0.2514023 0.0000000), wk = 0.0029412 k( 172) = ( 0.4935765 0.2641776 0.0142993), wk = 0.0029412 k( 173) = ( 0.4871530 0.2769529 0.0285986), wk = 0.0029412 k( 174) = ( 0.4807296 0.2897282 0.0428979), wk = 0.0029412 k( 175) = ( 0.4743061 0.3025035 0.0571972), wk = 0.0029412 k( 176) = ( 0.4678826 0.3152788 0.0714965), wk = 0.0029412 k( 177) = ( 0.4614591 0.3280541 0.0857957), wk = 0.0029412 k( 178) = ( 0.4550356 0.3408294 0.1000950), wk = 0.0029412 k( 179) = ( 0.4486121 0.3536047 0.1143943), wk = 0.0029412 k( 180) = ( 0.4421886 0.3663801 0.1286936), wk = 0.0029412 k( 181) = ( 0.4357652 0.3791554 0.1429929), wk = 0.0029412 k( 182) = ( 0.4293417 0.3919307 0.1572922), wk = 0.0029412 k( 183) = ( 0.4229182 0.4047060 0.1715915), wk = 0.0029412 k( 184) = ( 0.4164947 0.4174813 0.1858908), wk = 0.0029412 k( 185) = ( 0.4100712 0.4302566 0.2001901), wk = 0.0029412 k( 186) = ( 0.4036477 0.4430319 0.2144894), wk = 0.0029412 k( 187) = ( 0.3972243 0.4558072 0.2287886), wk = 0.0029412 k( 188) = ( 0.3908008 0.4685825 0.2430879), wk = 0.0029412 k( 189) = ( 0.3843773 0.4813578 0.2573872), wk = 0.0029412 k( 190) = ( 0.3779538 0.4941332 0.2716865), wk = 0.0029412 k( 191) = ( 0.3715303 0.5069085 0.2859858), wk = 0.0029412 k( 192) = ( 0.3651068 0.5196838 0.3002851), wk = 0.0029412 k( 193) = ( 0.3586834 0.5324591 0.3145844), wk = 0.0029412 k( 194) = ( 0.3522599 0.5452344 0.3288837), wk = 0.0029412 k( 195) = ( 0.3458364 0.5580097 0.3431830), wk = 0.0029412 k( 196) = ( 0.3394129 0.5707850 0.3574823), wk = 0.0029412 k( 197) = ( 0.3329894 0.5835603 0.3717816), wk = 0.0029412 k( 198) = ( 0.3265659 0.5963357 0.3860809), wk = 0.0029412 k( 199) = ( 0.3201425 0.6091110 0.4003801), wk = 0.0029412 k( 200) = ( 0.3137190 0.6218863 0.4146794), wk = 0.0029412 k( 201) = ( 0.3072955 0.6346616 0.4289787), wk = 0.0029412 k( 202) = ( 0.3008720 0.6474369 0.4432780), wk = 0.0029412 k( 203) = ( 0.2944485 0.6602122 0.4575773), wk = 0.0029412 k( 204) = ( 0.2880250 0.6729875 0.4718766), wk = 0.0029412 k( 205) = ( 0.2816015 0.6857628 0.4861759), wk = 0.0029412 k( 206) = ( 0.2816015 0.6857628 0.4861759), wk = 0.0029412 k( 207) = ( 0.2628281 0.6815728 0.4908658), wk = 0.0029412 k( 208) = ( 0.2440547 0.6773828 0.4955556), wk = 0.0029412 k( 209) = ( 0.2252812 0.6731927 0.5002455), wk = 0.0029412 k( 210) = ( 0.2065078 0.6690027 0.5049354), wk = 0.0029412 k( 211) = ( 0.1877344 0.6648126 0.5096252), wk = 0.0029412 k( 212) = ( 0.1689609 0.6606226 0.5143151), wk = 0.0029412 k( 213) = ( 0.1501875 0.6564326 0.5190050), wk = 0.0029412 k( 214) = ( 0.1314141 0.6522425 0.5236948), wk = 0.0029412 k( 215) = ( 0.1126406 0.6480525 0.5283847), wk = 0.0029412 k( 216) = ( 0.0938672 0.6438624 0.5330746), wk = 0.0029412 k( 217) = ( 0.0750938 0.6396724 0.5377645), wk = 0.0029412 k( 218) = ( 0.0563203 0.6354824 0.5424543), wk = 0.0029412 k( 219) = ( 0.0375469 0.6312923 0.5471442), wk = 0.0029412 k( 220) = ( 0.0187734 0.6271023 0.5518341), wk = 0.0029412 k( 221) = ( 0.0000000 0.6229123 0.5565240), wk = 0.0029412 k( 222) = ( 0.0000000 0.6229123 0.5565240), wk = 0.0029412 k( 223) = ( 0.0065790 0.6098277 0.5711693), wk = 0.0029412 k( 224) = ( 0.0131579 0.5967433 0.5858147), wk = 0.0029412 k( 225) = ( 0.0197368 0.5836588 0.6004600), wk = 0.0029412 k( 226) = ( 0.0263158 0.5705742 0.6151054), wk = 0.0029412 k( 227) = ( 0.0328947 0.5574897 0.6297508), wk = 0.0029412 k( 228) = ( 0.0394737 0.5444052 0.6443961), wk = 0.0029412 k( 229) = ( 0.0460526 0.5313207 0.6590415), wk = 0.0029412 k( 230) = ( 0.0526316 0.5182362 0.6736869), wk = 0.0029412 k( 231) = ( 0.0592105 0.5051517 0.6883323), wk = 0.0029412 k( 232) = ( 0.0657895 0.4920672 0.7029776), wk = 0.0029412 k( 233) = ( 0.0723684 0.4789827 0.7176230), wk = 0.0029412 k( 234) = ( 0.0789474 0.4658982 0.7322684), wk = 0.0029412 k( 235) = ( 0.0855263 0.4528137 0.7469137), wk = 0.0029412 k( 236) = ( 0.0921053 0.4397292 0.7615591), wk = 0.0029412 k( 237) = ( 0.0986842 0.4266447 0.7762045), wk = 0.0029412 k( 238) = ( 0.1052632 0.4135602 0.7908498), wk = 0.0029412 k( 239) = ( 0.1118421 0.4004757 0.8054952), wk = 0.0029412 k( 240) = ( 0.1184210 0.3873912 0.8201406), wk = 0.0029412 k( 241) = ( 0.1250000 0.3743067 0.8347859), wk = 0.0029412 k( 242) = ( 0.1315790 0.3612222 0.8494313), wk = 0.0029412 k( 243) = ( 0.1381579 0.3481377 0.8640766), wk = 0.0029412 k( 244) = ( 0.1447368 0.3350532 0.8787220), wk = 0.0029412 k( 245) = ( 0.1513158 0.3219687 0.8933674), wk = 0.0029412 k( 246) = ( 0.1578947 0.3088842 0.9080128), wk = 0.0029412 k( 247) = ( 0.1644737 0.2957997 0.9226581), wk = 0.0029412 k( 248) = ( 0.1710526 0.2827152 0.9373035), wk = 0.0029412 k( 249) = ( 0.1776316 0.2696307 0.9519489), wk = 0.0029412 k( 250) = ( 0.1842105 0.2565462 0.9665942), wk = 0.0029412 k( 251) = ( 0.1907895 0.2434617 0.9812396), wk = 0.0029412 k( 252) = ( 0.1973684 0.2303772 0.9958850), wk = 0.0029412 k( 253) = ( 0.2039474 0.2172926 1.0105303), wk = 0.0029412 k( 254) = ( 0.2105263 0.2042081 1.0251757), wk = 0.0029412 k( 255) = ( 0.2171053 0.1911237 1.0398211), wk = 0.0029412 k( 256) = ( 0.2236842 0.1780391 1.0544664), wk = 0.0029412 k( 257) = ( 0.2302632 0.1649546 1.0691118), wk = 0.0029412 k( 258) = ( 0.2368421 0.1518701 1.0837572), wk = 0.0029412 k( 259) = ( 0.2434210 0.1387856 1.0984025), wk = 0.0029412 k( 260) = ( 0.2500000 0.1257011 1.1130479), wk = 0.0029412 k( 261) = ( 0.2500000 0.1257011 1.1130479), wk = 0.0029412 k( 262) = ( 0.2656250 0.1335574 1.1042544), wk = 0.0029412 k( 263) = ( 0.2812500 0.1414138 1.0954609), wk = 0.0029412 k( 264) = ( 0.2968750 0.1492701 1.0866674), wk = 0.0029412 k( 265) = ( 0.3125000 0.1571264 1.0778739), wk = 0.0029412 k( 266) = ( 0.3281250 0.1649827 1.0690804), wk = 0.0029412 k( 267) = ( 0.3437500 0.1728391 1.0602868), wk = 0.0029412 k( 268) = ( 0.3593750 0.1806954 1.0514933), wk = 0.0029412 k( 269) = ( 0.3750000 0.1885517 1.0426998), wk = 0.0029412 k( 270) = ( 0.3906250 0.1964080 1.0339063), wk = 0.0029412 k( 271) = ( 0.4062500 0.2042643 1.0251128), wk = 0.0029412 k( 272) = ( 0.4218750 0.2121207 1.0163193), wk = 0.0029412 k( 273) = ( 0.4375000 0.2199770 1.0075258), wk = 0.0029412 k( 274) = ( 0.4531250 0.2278333 0.9987323), wk = 0.0029412 k( 275) = ( 0.4687500 0.2356896 0.9899388), wk = 0.0029412 k( 276) = ( 0.4843750 0.2435459 0.9811453), wk = 0.0029412 k( 277) = ( 0.5000000 0.2514023 0.9723518), wk = 0.0029412 k( 278) = ( 0.5000000 0.2514023 0.9723518), wk = 0.0029412 k( 279) = ( 0.5000000 0.2514023 0.9516634), wk = 0.0029412 k( 280) = ( 0.5000000 0.2514023 0.9309751), wk = 0.0029412 k( 281) = ( 0.5000000 0.2514023 0.9102867), wk = 0.0029412 k( 282) = ( 0.5000000 0.2514023 0.8895984), wk = 0.0029412 k( 283) = ( 0.5000000 0.2514023 0.8689101), wk = 0.0029412 k( 284) = ( 0.5000000 0.2514023 0.8482217), wk = 0.0029412 k( 285) = ( 0.5000000 0.2514023 0.8275334), wk = 0.0029412 k( 286) = ( 0.5000000 0.2514023 0.8068451), wk = 0.0029412 k( 287) = ( 0.5000000 0.2514023 0.7861567), wk = 0.0029412 k( 288) = ( 0.5000000 0.2514023 0.7654684), wk = 0.0029412 k( 289) = ( 0.5000000 0.2514023 0.7447801), wk = 0.0029412 k( 290) = ( 0.5000000 0.2514023 0.7240917), wk = 0.0029412 k( 291) = ( 0.5000000 0.2514023 0.7034034), wk = 0.0029412 k( 292) = ( 0.5000000 0.2514023 0.6827151), wk = 0.0029412 k( 293) = ( 0.5000000 0.2514023 0.6620267), wk = 0.0029412 k( 294) = ( 0.5000000 0.2514023 0.6413384), wk = 0.0029412 k( 295) = ( 0.5000000 0.2514023 0.6206501), wk = 0.0029412 k( 296) = ( 0.5000000 0.2514023 0.5999617), wk = 0.0029412 k( 297) = ( 0.5000000 0.2514023 0.5792734), wk = 0.0029412 k( 298) = ( 0.5000000 0.2514023 0.5585850), wk = 0.0029412 k( 299) = ( 0.5000000 0.2514023 0.5378967), wk = 0.0029412 k( 300) = ( 0.5000000 0.2514023 0.5172084), wk = 0.0029412 k( 301) = ( 0.5000000 0.2514023 0.4965201), wk = 0.0029412 k( 302) = ( 0.5000000 0.2514023 0.4758317), wk = 0.0029412 k( 303) = ( 0.5000000 0.2514023 0.4551434), wk = 0.0029412 k( 304) = ( 0.5000000 0.2514023 0.4344550), wk = 0.0029412 k( 305) = ( 0.5000000 0.2514023 0.4137667), wk = 0.0029412 k( 306) = ( 0.5000000 0.2514023 0.3930784), wk = 0.0029412 k( 307) = ( 0.5000000 0.2514023 0.3723900), wk = 0.0029412 k( 308) = ( 0.5000000 0.2514023 0.3517017), wk = 0.0029412 k( 309) = ( 0.5000000 0.2514023 0.3310134), wk = 0.0029412 k( 310) = ( 0.5000000 0.2514023 0.3103250), wk = 0.0029412 k( 311) = ( 0.5000000 0.2514023 0.2896367), wk = 0.0029412 k( 312) = ( 0.5000000 0.2514023 0.2689484), wk = 0.0029412 k( 313) = ( 0.5000000 0.2514023 0.2482600), wk = 0.0029412 k( 314) = ( 0.5000000 0.2514023 0.2275717), wk = 0.0029412 k( 315) = ( 0.5000000 0.2514023 0.2068833), wk = 0.0029412 k( 316) = ( 0.5000000 0.2514023 0.1861950), wk = 0.0029412 k( 317) = ( 0.5000000 0.2514023 0.1655067), wk = 0.0029412 k( 318) = ( 0.5000000 0.2514023 0.1448184), wk = 0.0029412 k( 319) = ( 0.5000000 0.2514023 0.1241300), wk = 0.0029412 k( 320) = ( 0.5000000 0.2514023 0.1034417), wk = 0.0029412 k( 321) = ( 0.5000000 0.2514023 0.0827533), wk = 0.0029412 k( 322) = ( 0.5000000 0.2514023 0.0620650), wk = 0.0029412 k( 323) = ( 0.5000000 0.2514023 0.0413767), wk = 0.0029412 k( 324) = ( 0.5000000 0.2514023 0.0206883), wk = 0.0029412 k( 325) = ( 0.5000000 0.2514023 0.0000000), wk = 0.0029412 k( 326) = ( 0.0000000 0.0000000 1.1130479), wk = 0.0029412 k( 327) = ( 0.0178571 0.0089787 1.1130479), wk = 0.0029412 k( 328) = ( 0.0357143 0.0179573 1.1130479), wk = 0.0029412 k( 329) = ( 0.0535714 0.0269360 1.1130479), wk = 0.0029412 k( 330) = ( 0.0714286 0.0359146 1.1130479), wk = 0.0029412 k( 331) = ( 0.0892857 0.0448933 1.1130479), wk = 0.0029412 k( 332) = ( 0.1071429 0.0538719 1.1130479), wk = 0.0029412 k( 333) = ( 0.1250000 0.0628506 1.1130479), wk = 0.0029412 k( 334) = ( 0.1428571 0.0718292 1.1130479), wk = 0.0029412 k( 335) = ( 0.1607143 0.0808079 1.1130479), wk = 0.0029412 k( 336) = ( 0.1785714 0.0897865 1.1130479), wk = 0.0029412 k( 337) = ( 0.1964286 0.0987652 1.1130479), wk = 0.0029412 k( 338) = ( 0.2142857 0.1077438 1.1130479), wk = 0.0029412 k( 339) = ( 0.2321429 0.1167225 1.1130479), wk = 0.0029412 k( 340) = ( 0.2500000 0.1257011 1.1130479), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0029412 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0029412 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0029412 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0029412 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0029412 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0029412 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0029412 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0029412 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029412 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0029412 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0029412 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0029412 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0029412 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0029412 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0029412 k( 17) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0029412 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0029412 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029412 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0029412 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0029412 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0029412 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0029412 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0029412 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0029412 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0029412 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0029412 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029412 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0029412 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0029412 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0029412 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0029412 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0029412 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0029412 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0029412 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0029412 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029412 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0029412 k( 39) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0029412 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0029412 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0029412 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0029412 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0029412 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0029412 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0029412 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029412 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0029412 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0029412 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0029412 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0029412 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0029412 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0029412 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0029412 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0029412 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 57) = ( -0.0090290 0.0090290 0.5000000), wk = 0.0029412 k( 58) = ( -0.0180580 0.0180580 0.5000000), wk = 0.0029412 k( 59) = ( -0.0270870 0.0270870 0.5000000), wk = 0.0029412 k( 60) = ( -0.0361160 0.0361161 0.5000000), wk = 0.0029412 k( 61) = ( -0.0451451 0.0451451 0.5000000), wk = 0.0029412 k( 62) = ( -0.0541741 0.0541741 0.5000000), wk = 0.0029412 k( 63) = ( -0.0632031 0.0632031 0.5000000), wk = 0.0029412 k( 64) = ( -0.0632031 0.0632031 0.5000000), wk = 0.0029412 k( 65) = ( -0.0696266 0.0696266 0.4935765), wk = 0.0029412 k( 66) = ( -0.0760501 0.0760501 0.4871530), wk = 0.0029412 k( 67) = ( -0.0824736 0.0824736 0.4807296), wk = 0.0029412 k( 68) = ( -0.0888970 0.0888970 0.4743061), wk = 0.0029412 k( 69) = ( -0.0953205 0.0953205 0.4678826), wk = 0.0029412 k( 70) = ( -0.1017440 0.1017440 0.4614591), wk = 0.0029412 k( 71) = ( -0.1081675 0.1081675 0.4550356), wk = 0.0029412 k( 72) = ( -0.1145910 0.1145910 0.4486121), wk = 0.0029412 k( 73) = ( -0.1210144 0.1210145 0.4421886), wk = 0.0029412 k( 74) = ( -0.1274379 0.1274379 0.4357652), wk = 0.0029412 k( 75) = ( -0.1338614 0.1338614 0.4293417), wk = 0.0029412 k( 76) = ( -0.1402849 0.1402849 0.4229182), wk = 0.0029412 k( 77) = ( -0.1467084 0.1467084 0.4164947), wk = 0.0029412 k( 78) = ( -0.1531319 0.1531319 0.4100712), wk = 0.0029412 k( 79) = ( -0.1595554 0.1595554 0.4036477), wk = 0.0029412 k( 80) = ( -0.1659788 0.1659788 0.3972243), wk = 0.0029412 k( 81) = ( -0.1724023 0.1724023 0.3908008), wk = 0.0029412 k( 82) = ( -0.1788258 0.1788258 0.3843773), wk = 0.0029412 k( 83) = ( -0.1852493 0.1852493 0.3779538), wk = 0.0029412 k( 84) = ( -0.1916728 0.1916728 0.3715303), wk = 0.0029412 k( 85) = ( -0.1980963 0.1980963 0.3651068), wk = 0.0029412 k( 86) = ( -0.2045197 0.2045197 0.3586834), wk = 0.0029412 k( 87) = ( -0.2109432 0.2109432 0.3522599), wk = 0.0029412 k( 88) = ( -0.2173667 0.2173667 0.3458364), wk = 0.0029412 k( 89) = ( -0.2237902 0.2237902 0.3394129), wk = 0.0029412 k( 90) = ( -0.2302137 0.2302137 0.3329894), wk = 0.0029412 k( 91) = ( -0.2366372 0.2366372 0.3265659), wk = 0.0029412 k( 92) = ( -0.2430606 0.2430606 0.3201425), wk = 0.0029412 k( 93) = ( -0.2494841 0.2494841 0.3137190), wk = 0.0029412 k( 94) = ( -0.2559076 0.2559076 0.3072955), wk = 0.0029412 k( 95) = ( -0.2623311 0.2623311 0.3008720), wk = 0.0029412 k( 96) = ( -0.2687546 0.2687546 0.2944485), wk = 0.0029412 k( 97) = ( -0.2751781 0.2751781 0.2880250), wk = 0.0029412 k( 98) = ( -0.2816015 0.2816016 0.2816015), wk = 0.0029412 k( 99) = ( -0.2816015 0.2816016 0.2816015), wk = 0.0029412 k( 100) = ( -0.2750527 0.2750527 0.2750527), wk = 0.0029412 k( 101) = ( -0.2685038 0.2685038 0.2685038), wk = 0.0029412 k( 102) = ( -0.2619549 0.2619549 0.2619549), wk = 0.0029412 k( 103) = ( -0.2554060 0.2554060 0.2554060), wk = 0.0029412 k( 104) = ( -0.2488572 0.2488572 0.2488572), wk = 0.0029412 k( 105) = ( -0.2423083 0.2423083 0.2423083), wk = 0.0029412 k( 106) = ( -0.2357594 0.2357594 0.2357594), wk = 0.0029412 k( 107) = ( -0.2292106 0.2292106 0.2292106), wk = 0.0029412 k( 108) = ( -0.2226617 0.2226617 0.2226617), wk = 0.0029412 k( 109) = ( -0.2161128 0.2161128 0.2161128), wk = 0.0029412 k( 110) = ( -0.2095639 0.2095639 0.2095639), wk = 0.0029412 k( 111) = ( -0.2030151 0.2030151 0.2030151), wk = 0.0029412 k( 112) = ( -0.1964662 0.1964662 0.1964662), wk = 0.0029412 k( 113) = ( -0.1899173 0.1899173 0.1899173), wk = 0.0029412 k( 114) = ( -0.1833684 0.1833685 0.1833684), wk = 0.0029412 k( 115) = ( -0.1768196 0.1768196 0.1768196), wk = 0.0029412 k( 116) = ( -0.1702707 0.1702707 0.1702707), wk = 0.0029412 k( 117) = ( -0.1637218 0.1637218 0.1637218), wk = 0.0029412 k( 118) = ( -0.1571730 0.1571730 0.1571730), wk = 0.0029412 k( 119) = ( -0.1506241 0.1506241 0.1506241), wk = 0.0029412 k( 120) = ( -0.1440752 0.1440752 0.1440752), wk = 0.0029412 k( 121) = ( -0.1375263 0.1375263 0.1375263), wk = 0.0029412 k( 122) = ( -0.1309775 0.1309775 0.1309775), wk = 0.0029412 k( 123) = ( -0.1244286 0.1244286 0.1244286), wk = 0.0029412 k( 124) = ( -0.1178797 0.1178797 0.1178797), wk = 0.0029412 k( 125) = ( -0.1113308 0.1113308 0.1113308), wk = 0.0029412 k( 126) = ( -0.1047820 0.1047820 0.1047820), wk = 0.0029412 k( 127) = ( -0.0982331 0.0982331 0.0982331), wk = 0.0029412 k( 128) = ( -0.0916842 0.0916842 0.0916842), wk = 0.0029412 k( 129) = ( -0.0851353 0.0851354 0.0851353), wk = 0.0029412 k( 130) = ( -0.0785865 0.0785865 0.0785865), wk = 0.0029412 k( 131) = ( -0.0720376 0.0720376 0.0720376), wk = 0.0029412 k( 132) = ( -0.0654887 0.0654887 0.0654887), wk = 0.0029412 k( 133) = ( -0.0589399 0.0589399 0.0589399), wk = 0.0029412 k( 134) = ( -0.0523910 0.0523910 0.0523910), wk = 0.0029412 k( 135) = ( -0.0458421 0.0458421 0.0458421), wk = 0.0029412 k( 136) = ( -0.0392932 0.0392932 0.0392932), wk = 0.0029412 k( 137) = ( -0.0327444 0.0327444 0.0327444), wk = 0.0029412 k( 138) = ( -0.0261955 0.0261955 0.0261955), wk = 0.0029412 k( 139) = ( -0.0196466 0.0196466 0.0196466), wk = 0.0029412 k( 140) = ( -0.0130978 0.0130978 0.0130977), wk = 0.0029412 k( 141) = ( -0.0065489 0.0065489 0.0065489), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 144) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0029412 k( 145) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0029412 k( 146) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0029412 k( 147) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0029412 k( 148) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0029412 k( 149) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0029412 k( 150) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0029412 k( 151) = ( 0.1481482 0.1481482 -0.1481481), wk = 0.0029412 k( 152) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029412 k( 153) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0029412 k( 154) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0029412 k( 155) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0029412 k( 156) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0029412 k( 157) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0029412 k( 158) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0029412 k( 159) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0029412 k( 160) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0029412 k( 161) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029412 k( 162) = ( 0.3518519 0.3518519 -0.3518518), wk = 0.0029412 k( 163) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0029412 k( 164) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0029412 k( 165) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0029412 k( 166) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0029412 k( 167) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0029412 k( 168) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0029412 k( 169) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0029412 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029412 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029412 k( 172) = ( 0.4935765 0.5064235 -0.4935765), wk = 0.0029412 k( 173) = ( 0.4871530 0.5128470 -0.4871530), wk = 0.0029412 k( 174) = ( 0.4807296 0.5192705 -0.4807295), wk = 0.0029412 k( 175) = ( 0.4743061 0.5256939 -0.4743061), wk = 0.0029412 k( 176) = ( 0.4678826 0.5321174 -0.4678826), wk = 0.0029412 k( 177) = ( 0.4614591 0.5385409 -0.4614591), wk = 0.0029412 k( 178) = ( 0.4550356 0.5449644 -0.4550356), wk = 0.0029412 k( 179) = ( 0.4486121 0.5513879 -0.4486121), wk = 0.0029412 k( 180) = ( 0.4421886 0.5578114 -0.4421886), wk = 0.0029412 k( 181) = ( 0.4357652 0.5642348 -0.4357652), wk = 0.0029412 k( 182) = ( 0.4293417 0.5706583 -0.4293417), wk = 0.0029412 k( 183) = ( 0.4229182 0.5770818 -0.4229182), wk = 0.0029412 k( 184) = ( 0.4164947 0.5835053 -0.4164947), wk = 0.0029412 k( 185) = ( 0.4100712 0.5899288 -0.4100712), wk = 0.0029412 k( 186) = ( 0.4036477 0.5963523 -0.4036477), wk = 0.0029412 k( 187) = ( 0.3972243 0.6027757 -0.3972243), wk = 0.0029412 k( 188) = ( 0.3908008 0.6091992 -0.3908008), wk = 0.0029412 k( 189) = ( 0.3843773 0.6156227 -0.3843773), wk = 0.0029412 k( 190) = ( 0.3779538 0.6220462 -0.3779538), wk = 0.0029412 k( 191) = ( 0.3715303 0.6284697 -0.3715303), wk = 0.0029412 k( 192) = ( 0.3651068 0.6348932 -0.3651068), wk = 0.0029412 k( 193) = ( 0.3586834 0.6413167 -0.3586833), wk = 0.0029412 k( 194) = ( 0.3522599 0.6477401 -0.3522599), wk = 0.0029412 k( 195) = ( 0.3458364 0.6541636 -0.3458364), wk = 0.0029412 k( 196) = ( 0.3394129 0.6605871 -0.3394129), wk = 0.0029412 k( 197) = ( 0.3329894 0.6670106 -0.3329894), wk = 0.0029412 k( 198) = ( 0.3265659 0.6734341 -0.3265659), wk = 0.0029412 k( 199) = ( 0.3201425 0.6798576 -0.3201425), wk = 0.0029412 k( 200) = ( 0.3137190 0.6862810 -0.3137190), wk = 0.0029412 k( 201) = ( 0.3072955 0.6927045 -0.3072955), wk = 0.0029412 k( 202) = ( 0.3008720 0.6991280 -0.3008720), wk = 0.0029412 k( 203) = ( 0.2944485 0.7055515 -0.2944485), wk = 0.0029412 k( 204) = ( 0.2880250 0.7119750 -0.2880250), wk = 0.0029412 k( 205) = ( 0.2816015 0.7183985 -0.2816015), wk = 0.0029412 k( 206) = ( 0.2816015 0.7183985 -0.2816015), wk = 0.0029412 k( 207) = ( 0.2628281 0.7038386 -0.2628281), wk = 0.0029412 k( 208) = ( 0.2440547 0.6892787 -0.2440547), wk = 0.0029412 k( 209) = ( 0.2252812 0.6747188 -0.2252812), wk = 0.0029412 k( 210) = ( 0.2065078 0.6601589 -0.2065078), wk = 0.0029412 k( 211) = ( 0.1877344 0.6455990 -0.1877344), wk = 0.0029412 k( 212) = ( 0.1689609 0.6310391 -0.1689609), wk = 0.0029412 k( 213) = ( 0.1501875 0.6164792 -0.1501875), wk = 0.0029412 k( 214) = ( 0.1314141 0.6019193 -0.1314141), wk = 0.0029412 k( 215) = ( 0.1126406 0.5873594 -0.1126406), wk = 0.0029412 k( 216) = ( 0.0938672 0.5727995 -0.0938672), wk = 0.0029412 k( 217) = ( 0.0750938 0.5582396 -0.0750938), wk = 0.0029412 k( 218) = ( 0.0563203 0.5436797 -0.0563203), wk = 0.0029412 k( 219) = ( 0.0375469 0.5291198 -0.0375469), wk = 0.0029412 k( 220) = ( 0.0187734 0.5145599 -0.0187734), wk = 0.0029412 k( 221) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 223) = ( 0.0065790 0.4934211 0.0065790), wk = 0.0029412 k( 224) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0029412 k( 225) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0029412 k( 226) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0029412 k( 227) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0029412 k( 228) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0029412 k( 229) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0029412 k( 230) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0029412 k( 231) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0029412 k( 232) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0029412 k( 233) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0029412 k( 234) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0029412 k( 235) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0029412 k( 236) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0029412 k( 237) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0029412 k( 238) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0029412 k( 239) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0029412 k( 240) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0029412 k( 241) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029412 k( 242) = ( 0.1315790 0.3684210 0.1315790), wk = 0.0029412 k( 243) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0029412 k( 244) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0029412 k( 245) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0029412 k( 246) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0029412 k( 247) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0029412 k( 248) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0029412 k( 249) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0029412 k( 250) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0029412 k( 251) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0029412 k( 252) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0029412 k( 253) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0029412 k( 254) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0029412 k( 255) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0029412 k( 256) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0029412 k( 257) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0029412 k( 258) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0029412 k( 259) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0029412 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 k( 262) = ( 0.2656250 0.2656250 0.2304248), wk = 0.0029412 k( 263) = ( 0.2812500 0.2812500 0.2108496), wk = 0.0029412 k( 264) = ( 0.2968750 0.2968750 0.1912744), wk = 0.0029412 k( 265) = ( 0.3125000 0.3125000 0.1716992), wk = 0.0029412 k( 266) = ( 0.3281250 0.3281250 0.1521240), wk = 0.0029412 k( 267) = ( 0.3437500 0.3437500 0.1325488), wk = 0.0029412 k( 268) = ( 0.3593750 0.3593750 0.1129737), wk = 0.0029412 k( 269) = ( 0.3750000 0.3750000 0.0933984), wk = 0.0029412 k( 270) = ( 0.3906250 0.3906250 0.0738233), wk = 0.0029412 k( 271) = ( 0.4062500 0.4062500 0.0542481), wk = 0.0029412 k( 272) = ( 0.4218750 0.4218750 0.0346729), wk = 0.0029412 k( 273) = ( 0.4375000 0.4375000 0.0150977), wk = 0.0029412 k( 274) = ( 0.4531250 0.4531250 -0.0044775), wk = 0.0029412 k( 275) = ( 0.4687500 0.4687500 -0.0240527), wk = 0.0029412 k( 276) = ( 0.4843750 0.4843750 -0.0436279), wk = 0.0029412 k( 277) = ( 0.5000000 0.5000000 -0.0632031), wk = 0.0029412 k( 278) = ( 0.5000000 0.5000000 -0.0632031), wk = 0.0029412 k( 279) = ( 0.5000000 0.5000000 -0.0724966), wk = 0.0029412 k( 280) = ( 0.5000000 0.5000000 -0.0817902), wk = 0.0029412 k( 281) = ( 0.5000000 0.5000000 -0.0910837), wk = 0.0029412 k( 282) = ( 0.5000000 0.5000000 -0.1003773), wk = 0.0029412 k( 283) = ( 0.5000000 0.5000000 -0.1096708), wk = 0.0029412 k( 284) = ( 0.5000000 0.5000000 -0.1189644), wk = 0.0029412 k( 285) = ( 0.5000000 0.5000000 -0.1282579), wk = 0.0029412 k( 286) = ( 0.5000000 0.5000000 -0.1375515), wk = 0.0029412 k( 287) = ( 0.5000000 0.5000000 -0.1468451), wk = 0.0029412 k( 288) = ( 0.5000000 0.5000000 -0.1561386), wk = 0.0029412 k( 289) = ( 0.5000000 0.5000000 -0.1654322), wk = 0.0029412 k( 290) = ( 0.5000000 0.5000000 -0.1747257), wk = 0.0029412 k( 291) = ( 0.5000000 0.5000000 -0.1840193), wk = 0.0029412 k( 292) = ( 0.5000000 0.5000000 -0.1933128), wk = 0.0029412 k( 293) = ( 0.5000000 0.5000000 -0.2026064), wk = 0.0029412 k( 294) = ( 0.5000000 0.5000000 -0.2118999), wk = 0.0029412 k( 295) = ( 0.5000000 0.5000000 -0.2211935), wk = 0.0029412 k( 296) = ( 0.5000000 0.5000000 -0.2304870), wk = 0.0029412 k( 297) = ( 0.5000000 0.5000000 -0.2397806), wk = 0.0029412 k( 298) = ( 0.5000000 0.5000000 -0.2490741), wk = 0.0029412 k( 299) = ( 0.5000000 0.5000000 -0.2583677), wk = 0.0029412 k( 300) = ( 0.5000000 0.5000000 -0.2676612), wk = 0.0029412 k( 301) = ( 0.5000000 0.5000000 -0.2769548), wk = 0.0029412 k( 302) = ( 0.5000000 0.5000000 -0.2862483), wk = 0.0029412 k( 303) = ( 0.5000000 0.5000000 -0.2955419), wk = 0.0029412 k( 304) = ( 0.5000000 0.5000000 -0.3048354), wk = 0.0029412 k( 305) = ( 0.5000000 0.5000000 -0.3141290), wk = 0.0029412 k( 306) = ( 0.5000000 0.5000000 -0.3234225), wk = 0.0029412 k( 307) = ( 0.5000000 0.5000000 -0.3327161), wk = 0.0029412 k( 308) = ( 0.5000000 0.5000000 -0.3420096), wk = 0.0029412 k( 309) = ( 0.5000000 0.5000000 -0.3513032), wk = 0.0029412 k( 310) = ( 0.5000000 0.5000000 -0.3605967), wk = 0.0029412 k( 311) = ( 0.5000000 0.5000000 -0.3698903), wk = 0.0029412 k( 312) = ( 0.5000000 0.5000000 -0.3791838), wk = 0.0029412 k( 313) = ( 0.5000000 0.5000000 -0.3884774), wk = 0.0029412 k( 314) = ( 0.5000000 0.5000000 -0.3977709), wk = 0.0029412 k( 315) = ( 0.5000000 0.5000000 -0.4070645), wk = 0.0029412 k( 316) = ( 0.5000000 0.5000000 -0.4163580), wk = 0.0029412 k( 317) = ( 0.5000000 0.5000000 -0.4256516), wk = 0.0029412 k( 318) = ( 0.5000000 0.5000000 -0.4349451), wk = 0.0029412 k( 319) = ( 0.5000000 0.5000000 -0.4442387), wk = 0.0029412 k( 320) = ( 0.5000000 0.5000000 -0.4535322), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 -0.4628258), wk = 0.0029412 k( 322) = ( 0.5000000 0.5000000 -0.4721193), wk = 0.0029412 k( 323) = ( 0.5000000 0.5000000 -0.4814129), wk = 0.0029412 k( 324) = ( 0.5000000 0.5000000 -0.4907064), wk = 0.0029412 k( 325) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029412 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 327) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0029412 k( 328) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0029412 k( 329) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0029412 k( 330) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0029412 k( 331) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0029412 k( 332) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0029412 k( 333) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029412 k( 334) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0029412 k( 335) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0029412 k( 336) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0029412 k( 337) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0029412 k( 338) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0029412 k( 339) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0029412 k( 340) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 Dense grid: 41293 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 24737 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 184, 48) NL pseudopotentials 0.18 Mb ( 92, 131) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1147) G-vector shells 0.00 Mb ( 504) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 184, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 131, 2, 48) The potential is recalculated from file : ./BaxNiAsx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 8.9 secs Computing kpt #: 2 total cpu time spent up to now is 9.4 secs Computing kpt #: 3 total cpu time spent up to now is 9.9 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 11.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.0 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.1 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.2 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.2 secs Computing kpt #: 18 total cpu time spent up to now is 17.8 secs Computing kpt #: 19 total cpu time spent up to now is 18.3 secs Computing kpt #: 20 total cpu time spent up to now is 18.8 secs Computing kpt #: 21 total cpu time spent up to now is 19.3 secs Computing kpt #: 22 total cpu time spent up to now is 19.8 secs Computing kpt #: 23 total cpu time spent up to now is 20.4 secs Computing kpt #: 24 total cpu time spent up to now is 20.9 secs Computing kpt #: 25 total cpu time spent up to now is 21.4 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.6 secs Computing kpt #: 28 total cpu time spent up to now is 23.1 secs Computing kpt #: 29 total cpu time spent up to now is 23.7 secs Computing kpt #: 30 total cpu time spent up to now is 24.2 secs Computing kpt #: 31 total cpu time spent up to now is 24.8 secs Computing kpt #: 32 total cpu time spent up to now is 25.4 secs Computing kpt #: 33 total cpu time spent up to now is 25.9 secs Computing kpt #: 34 total cpu time spent up to now is 26.5 secs Computing kpt #: 35 total cpu time spent up to now is 27.1 secs Computing kpt #: 36 total cpu time spent up to now is 27.6 secs Computing kpt #: 37 total cpu time spent up to now is 28.1 secs Computing kpt #: 38 total cpu time spent up to now is 28.6 secs Computing kpt #: 39 total cpu time spent up to now is 29.1 secs Computing kpt #: 40 total cpu time spent up to now is 29.6 secs Computing kpt #: 41 total cpu time spent up to now is 30.1 secs Computing kpt #: 42 total cpu time spent up to now is 30.6 secs Computing kpt #: 43 total cpu time spent up to now is 31.1 secs Computing kpt #: 44 total cpu time spent up to now is 31.6 secs Computing kpt #: 45 total cpu time spent up to now is 32.1 secs Computing kpt #: 46 total cpu time spent up to now is 32.6 secs Computing kpt #: 47 total cpu time spent up to now is 33.1 secs Computing kpt #: 48 total cpu time spent up to now is 33.6 secs Computing kpt #: 49 total cpu time spent up to now is 34.1 secs Computing kpt #: 50 total cpu time spent up to now is 34.6 secs Computing kpt #: 51 total cpu time spent up to now is 35.1 secs Computing kpt #: 52 total cpu time spent up to now is 35.6 secs Computing kpt #: 53 total cpu time spent up to now is 36.1 secs Computing kpt #: 54 total cpu time spent up to now is 36.5 secs Computing kpt #: 55 total cpu time spent up to now is 37.0 secs Computing kpt #: 56 total cpu time spent up to now is 37.5 secs Computing kpt #: 57 total cpu time spent up to now is 38.0 secs Computing kpt #: 58 total cpu time spent up to now is 38.5 secs Computing kpt #: 59 total cpu time spent up to now is 39.0 secs Computing kpt #: 60 total cpu time spent up to now is 39.5 secs Computing kpt #: 61 total cpu time spent up to now is 40.0 secs Computing kpt #: 62 total cpu time spent up to now is 40.5 secs Computing kpt #: 63 total cpu time spent up to now is 41.0 secs Computing kpt #: 64 total cpu time spent up to now is 41.5 secs Computing kpt #: 65 total cpu time spent up to now is 42.0 secs Computing kpt #: 66 total cpu time spent up to now is 42.5 secs Computing kpt #: 67 total cpu time spent up to now is 43.1 secs Computing kpt #: 68 total cpu time spent up to now is 43.6 secs Computing kpt #: 69 total cpu time spent up to now is 44.1 secs Computing kpt #: 70 total cpu time spent up to now is 44.6 secs Computing kpt #: 71 total cpu time spent up to now is 45.1 secs Computing kpt #: 72 total cpu time spent up to now is 45.6 secs Computing kpt #: 73 total cpu time spent up to now is 46.2 secs Computing kpt #: 74 total cpu time spent up to now is 46.7 secs Computing kpt #: 75 total cpu time spent up to now is 47.2 secs Computing kpt #: 76 total cpu time spent up to now is 47.7 secs Computing kpt #: 77 total cpu time spent up to now is 48.2 secs Computing kpt #: 78 total cpu time spent up to now is 48.7 secs Computing kpt #: 79 total cpu time spent up to now is 49.2 secs Computing kpt #: 80 total cpu time spent up to now is 49.8 secs Computing kpt #: 81 total cpu time spent up to now is 50.3 secs Computing kpt #: 82 total cpu time spent up to now is 50.8 secs Computing kpt #: 83 total cpu time spent up to now is 51.3 secs Computing kpt #: 84 total cpu time spent up to now is 51.9 secs Computing kpt #: 85 total cpu time spent up to now is 52.4 secs Computing kpt #: 86 total cpu time spent up to now is 53.0 secs Computing kpt #: 87 total cpu time spent up to now is 53.5 secs Computing kpt #: 88 total cpu time spent up to now is 54.0 secs Computing kpt #: 89 total cpu time spent up to now is 54.6 secs Computing kpt #: 90 total cpu time spent up to now is 55.2 secs Computing kpt #: 91 total cpu time spent up to now is 55.8 secs Computing kpt #: 92 total cpu time spent up to now is 56.3 secs Computing kpt #: 93 total cpu time spent up to now is 56.8 secs Computing kpt #: 94 total cpu time spent up to now is 57.3 secs Computing kpt #: 95 total cpu time spent up to now is 57.9 secs Computing kpt #: 96 total cpu time spent up to now is 58.4 secs Computing kpt #: 97 total cpu time spent up to now is 58.9 secs Computing kpt #: 98 total cpu time spent up to now is 59.4 secs Computing kpt #: 99 total cpu time spent up to now is 60.0 secs Computing kpt #: 100 total cpu time spent up to now is 60.5 secs Computing kpt #: 101 total cpu time spent up to now is 61.0 secs Computing kpt #: 102 total cpu time spent up to now is 61.5 secs Computing kpt #: 103 total cpu time spent up to now is 62.1 secs Computing kpt #: 104 total cpu time spent up to now is 62.6 secs Computing kpt #: 105 total cpu time spent up to now is 63.1 secs Computing kpt #: 106 total cpu time spent up to now is 63.7 secs Computing kpt #: 107 total cpu time spent up to now is 64.2 secs Computing kpt #: 108 total cpu time spent up to now is 64.7 secs Computing kpt #: 109 total cpu time spent up to now is 65.3 secs Computing kpt #: 110 total cpu time spent up to now is 65.8 secs Computing kpt #: 111 total cpu time spent up to now is 66.3 secs Computing kpt #: 112 total cpu time spent up to now is 66.9 secs Computing kpt #: 113 total cpu time spent up to now is 67.4 secs Computing kpt #: 114 total cpu time spent up to now is 67.9 secs Computing kpt #: 115 total cpu time spent up to now is 68.5 secs Computing kpt #: 116 total cpu time spent up to now is 69.0 secs Computing kpt #: 117 total cpu time spent up to now is 69.5 secs Computing kpt #: 118 total cpu time spent up to now is 70.1 secs Computing kpt #: 119 total cpu time spent up to now is 70.6 secs Computing kpt #: 120 total cpu time spent up to now is 71.1 secs Computing kpt #: 121 total cpu time spent up to now is 71.7 secs Computing kpt #: 122 total cpu time spent up to now is 72.2 secs Computing kpt #: 123 total cpu time spent up to now is 72.7 secs Computing kpt #: 124 total cpu time spent up to now is 73.2 secs Computing kpt #: 125 total cpu time spent up to now is 73.8 secs Computing kpt #: 126 total cpu time spent up to now is 74.3 secs Computing kpt #: 127 total cpu time spent up to now is 74.8 secs Computing kpt #: 128 total cpu time spent up to now is 75.3 secs Computing kpt #: 129 total cpu time spent up to now is 75.8 secs Computing kpt #: 130 total cpu time spent up to now is 76.5 secs Computing kpt #: 131 total cpu time spent up to now is 77.3 secs Computing kpt #: 132 total cpu time spent up to now is 78.1 secs Computing kpt #: 133 total cpu time spent up to now is 78.9 secs Computing kpt #: 134 total cpu time spent up to now is 79.5 secs Computing kpt #: 135 total cpu time spent up to now is 80.0 secs Computing kpt #: 136 total cpu time spent up to now is 80.5 secs Computing kpt #: 137 total cpu time spent up to now is 81.1 secs Computing kpt #: 138 total cpu time spent up to now is 81.6 secs Computing kpt #: 139 total cpu time spent up to now is 82.1 secs Computing kpt #: 140 total cpu time spent up to now is 82.7 secs Computing kpt #: 141 total cpu time spent up to now is 83.4 secs Computing kpt #: 142 total cpu time spent up to now is 83.9 secs Computing kpt #: 143 total cpu time spent up to now is 84.4 secs Computing kpt #: 144 total cpu time spent up to now is 85.0 secs Computing kpt #: 145 total cpu time spent up to now is 85.5 secs Computing kpt #: 146 total cpu time spent up to now is 86.0 secs Computing kpt #: 147 total cpu time spent up to now is 86.7 secs Computing kpt #: 148 total cpu time spent up to now is 87.5 secs Computing kpt #: 149 total cpu time spent up to now is 88.1 secs Computing kpt #: 150 total cpu time spent up to now is 88.8 secs Computing kpt #: 151 total cpu time spent up to now is 89.5 secs Computing kpt #: 152 total cpu time spent up to now is 90.1 secs Computing kpt #: 153 total cpu time spent up to now is 90.6 secs Computing kpt #: 154 total cpu time spent up to now is 91.3 secs Computing kpt #: 155 total cpu time spent up to now is 91.9 secs Computing kpt #: 156 total cpu time spent up to now is 92.4 secs Computing kpt #: 157 total cpu time spent up to now is 92.9 secs Computing kpt #: 158 total cpu time spent up to now is 93.5 secs Computing kpt #: 159 total cpu time spent up to now is 94.0 secs Computing kpt #: 160 total cpu time spent up to now is 94.5 secs Computing kpt #: 161 total cpu time spent up to now is 95.1 secs Computing kpt #: 162 total cpu time spent up to now is 95.6 secs Computing kpt #: 163 total cpu time spent up to now is 96.1 secs Computing kpt #: 164 total cpu time spent up to now is 96.6 secs Computing kpt #: 165 total cpu time spent up to now is 97.1 secs Computing kpt #: 166 total cpu time spent up to now is 97.6 secs Computing kpt #: 167 total cpu time spent up to now is 98.1 secs Computing kpt #: 168 total cpu time spent up to now is 100.6 secs Computing kpt #: 169 total cpu time spent up to now is 101.1 secs Computing kpt #: 170 total cpu time spent up to now is 101.6 secs Computing kpt #: 171 total cpu time spent up to now is 102.1 secs Computing kpt #: 172 total cpu time spent up to now is 102.6 secs Computing kpt #: 173 total cpu time spent up to now is 103.1 secs Computing kpt #: 174 total cpu time spent up to now is 103.6 secs Computing kpt #: 175 total cpu time spent up to now is 104.1 secs Computing kpt #: 176 total cpu time spent up to now is 104.6 secs Computing kpt #: 177 total cpu time spent up to now is 105.1 secs Computing kpt #: 178 total cpu time spent up to now is 105.6 secs Computing kpt #: 179 total cpu time spent up to now is 106.2 secs Computing kpt #: 180 total cpu time spent up to now is 106.8 secs Computing kpt #: 181 total cpu time spent up to now is 107.5 secs Computing kpt #: 182 total cpu time spent up to now is 108.1 secs Computing kpt #: 183 total cpu time spent up to now is 108.7 secs Computing kpt #: 184 total cpu time spent up to now is 109.2 secs Computing kpt #: 185 total cpu time spent up to now is 109.7 secs Computing kpt #: 186 total cpu time spent up to now is 110.3 secs Computing kpt #: 187 total cpu time spent up to now is 111.0 secs Computing kpt #: 188 total cpu time spent up to now is 111.5 secs Computing kpt #: 189 total cpu time spent up to now is 112.0 secs Computing kpt #: 190 total cpu time spent up to now is 112.6 secs Computing kpt #: 191 total cpu time spent up to now is 113.1 secs Computing kpt #: 192 total cpu time spent up to now is 113.6 secs Computing kpt #: 193 total cpu time spent up to now is 114.1 secs Computing kpt #: 194 total cpu time spent up to now is 114.6 secs Computing kpt #: 195 total cpu time spent up to now is 115.2 secs Computing kpt #: 196 total cpu time spent up to now is 115.7 secs Computing kpt #: 197 total cpu time spent up to now is 116.2 secs Computing kpt #: 198 total cpu time spent up to now is 116.7 secs Computing kpt #: 199 total cpu time spent up to now is 117.2 secs Computing kpt #: 200 total cpu time spent up to now is 117.8 secs Computing kpt #: 201 total cpu time spent up to now is 118.3 secs Computing kpt #: 202 total cpu time spent up to now is 118.8 secs Computing kpt #: 203 total cpu time spent up to now is 119.3 secs Computing kpt #: 204 total cpu time spent up to now is 119.8 secs Computing kpt #: 205 total cpu time spent up to now is 120.4 secs Computing kpt #: 206 total cpu time spent up to now is 120.9 secs Computing kpt #: 207 total cpu time spent up to now is 121.4 secs Computing kpt #: 208 total cpu time spent up to now is 121.9 secs Computing kpt #: 209 total cpu time spent up to now is 122.4 secs Computing kpt #: 210 total cpu time spent up to now is 123.0 secs Computing kpt #: 211 total cpu time spent up to now is 123.5 secs Computing kpt #: 212 total cpu time spent up to now is 124.0 secs Computing kpt #: 213 total cpu time spent up to now is 124.5 secs Computing kpt #: 214 total cpu time spent up to now is 125.0 secs Computing kpt #: 215 total cpu time spent up to now is 125.5 secs Computing kpt #: 216 total cpu time spent up to now is 126.1 secs Computing kpt #: 217 total cpu time spent up to now is 126.6 secs Computing kpt #: 218 total cpu time spent up to now is 127.1 secs Computing kpt #: 219 total cpu time spent up to now is 127.7 secs Computing kpt #: 220 total cpu time spent up to now is 128.2 secs Computing kpt #: 221 total cpu time spent up to now is 128.7 secs Computing kpt #: 222 total cpu time spent up to now is 129.3 secs Computing kpt #: 223 total cpu time spent up to now is 129.8 secs Computing kpt #: 224 total cpu time spent up to now is 130.3 secs Computing kpt #: 225 total cpu time spent up to now is 130.8 secs Computing kpt #: 226 total cpu time spent up to now is 131.4 secs Computing kpt #: 227 total cpu time spent up to now is 131.9 secs Computing kpt #: 228 total cpu time spent up to now is 132.4 secs Computing kpt #: 229 total cpu time spent up to now is 133.0 secs Computing kpt #: 230 total cpu time spent up to now is 133.7 secs Computing kpt #: 231 total cpu time spent up to now is 134.3 secs Computing kpt #: 232 total cpu time spent up to now is 134.8 secs Computing kpt #: 233 total cpu time spent up to now is 135.3 secs Computing kpt #: 234 total cpu time spent up to now is 135.9 secs Computing kpt #: 235 total cpu time spent up to now is 136.4 secs Computing kpt #: 236 total cpu time spent up to now is 136.9 secs Computing kpt #: 237 total cpu time spent up to now is 137.5 secs Computing kpt #: 238 total cpu time spent up to now is 138.0 secs Computing kpt #: 239 total cpu time spent up to now is 138.6 secs Computing kpt #: 240 total cpu time spent up to now is 139.1 secs Computing kpt #: 241 total cpu time spent up to now is 139.6 secs Computing kpt #: 242 total cpu time spent up to now is 140.2 secs Computing kpt #: 243 total cpu time spent up to now is 140.7 secs Computing kpt #: 244 total cpu time spent up to now is 141.3 secs Computing kpt #: 245 total cpu time spent up to now is 141.8 secs Computing kpt #: 246 total cpu time spent up to now is 142.4 secs Computing kpt #: 247 total cpu time spent up to now is 142.9 secs Computing kpt #: 248 total cpu time spent up to now is 143.5 secs Computing kpt #: 249 total cpu time spent up to now is 144.1 secs Computing kpt #: 250 total cpu time spent up to now is 144.7 secs Computing kpt #: 251 total cpu time spent up to now is 145.2 secs Computing kpt #: 252 total cpu time spent up to now is 145.8 secs Computing kpt #: 253 total cpu time spent up to now is 146.4 secs Computing kpt #: 254 total cpu time spent up to now is 146.9 secs Computing kpt #: 255 total cpu time spent up to now is 147.5 secs Computing kpt #: 256 total cpu time spent up to now is 148.1 secs Computing kpt #: 257 total cpu time spent up to now is 148.7 secs Computing kpt #: 258 total cpu time spent up to now is 149.3 secs Computing kpt #: 259 total cpu time spent up to now is 150.0 secs Computing kpt #: 260 total cpu time spent up to now is 150.6 secs Computing kpt #: 261 total cpu time spent up to now is 151.2 secs Computing kpt #: 262 total cpu time spent up to now is 151.9 secs Computing kpt #: 263 total cpu time spent up to now is 152.5 secs Computing kpt #: 264 total cpu time spent up to now is 153.1 secs Computing kpt #: 265 total cpu time spent up to now is 153.8 secs Computing kpt #: 266 total cpu time spent up to now is 154.4 secs Computing kpt #: 267 total cpu time spent up to now is 154.9 secs Computing kpt #: 268 total cpu time spent up to now is 155.5 secs Computing kpt #: 269 total cpu time spent up to now is 156.0 secs Computing kpt #: 270 total cpu time spent up to now is 156.5 secs Computing kpt #: 271 total cpu time spent up to now is 157.0 secs Computing kpt #: 272 total cpu time spent up to now is 157.6 secs Computing kpt #: 273 total cpu time spent up to now is 158.1 secs Computing kpt #: 274 total cpu time spent up to now is 158.6 secs Computing kpt #: 275 total cpu time spent up to now is 159.1 secs Computing kpt #: 276 total cpu time spent up to now is 159.6 secs Computing kpt #: 277 total cpu time spent up to now is 160.1 secs Computing kpt #: 278 total cpu time spent up to now is 160.6 secs Computing kpt #: 279 total cpu time spent up to now is 161.1 secs Computing kpt #: 280 total cpu time spent up to now is 161.6 secs Computing kpt #: 281 total cpu time spent up to now is 162.1 secs Computing kpt #: 282 total cpu time spent up to now is 162.7 secs Computing kpt #: 283 total cpu time spent up to now is 163.2 secs Computing kpt #: 284 total cpu time spent up to now is 163.7 secs Computing kpt #: 285 total cpu time spent up to now is 164.2 secs Computing kpt #: 286 total cpu time spent up to now is 164.7 secs Computing kpt #: 287 total cpu time spent up to now is 165.2 secs Computing kpt #: 288 total cpu time spent up to now is 165.8 secs Computing kpt #: 289 total cpu time spent up to now is 166.3 secs Computing kpt #: 290 total cpu time spent up to now is 166.8 secs Computing kpt #: 291 total cpu time spent up to now is 167.3 secs Computing kpt #: 292 total cpu time spent up to now is 167.8 secs Computing kpt #: 293 total cpu time spent up to now is 168.3 secs Computing kpt #: 294 total cpu time spent up to now is 168.8 secs Computing kpt #: 295 total cpu time spent up to now is 169.3 secs Computing kpt #: 296 total cpu time spent up to now is 169.8 secs Computing kpt #: 297 total cpu time spent up to now is 170.3 secs Computing kpt #: 298 total cpu time spent up to now is 170.9 secs Computing kpt #: 299 total cpu time spent up to now is 171.4 secs Computing kpt #: 300 total cpu time spent up to now is 171.9 secs Computing kpt #: 301 total cpu time spent up to now is 172.4 secs Computing kpt #: 302 total cpu time spent up to now is 172.9 secs Computing kpt #: 303 total cpu time spent up to now is 173.4 secs Computing kpt #: 304 total cpu time spent up to now is 174.0 secs Computing kpt #: 305 total cpu time spent up to now is 174.5 secs Computing kpt #: 306 total cpu time spent up to now is 175.0 secs Computing kpt #: 307 total cpu time spent up to now is 175.6 secs Computing kpt #: 308 total cpu time spent up to now is 176.1 secs Computing kpt #: 309 total cpu time spent up to now is 176.6 secs Computing kpt #: 310 total cpu time spent up to now is 177.2 secs Computing kpt #: 311 total cpu time spent up to now is 177.8 secs Computing kpt #: 312 total cpu time spent up to now is 178.4 secs Computing kpt #: 313 total cpu time spent up to now is 179.1 secs Computing kpt #: 314 total cpu time spent up to now is 179.7 secs Computing kpt #: 315 total cpu time spent up to now is 180.4 secs Computing kpt #: 316 total cpu time spent up to now is 181.0 secs Computing kpt #: 317 total cpu time spent up to now is 181.6 secs Computing kpt #: 318 total cpu time spent up to now is 182.2 secs Computing kpt #: 319 total cpu time spent up to now is 182.8 secs Computing kpt #: 320 total cpu time spent up to now is 183.3 secs Computing kpt #: 321 total cpu time spent up to now is 183.8 secs Computing kpt #: 322 total cpu time spent up to now is 184.3 secs Computing kpt #: 323 total cpu time spent up to now is 184.8 secs Computing kpt #: 324 total cpu time spent up to now is 185.3 secs Computing kpt #: 325 total cpu time spent up to now is 185.8 secs Computing kpt #: 326 total cpu time spent up to now is 186.3 secs Computing kpt #: 327 total cpu time spent up to now is 186.8 secs Computing kpt #: 328 total cpu time spent up to now is 187.2 secs Computing kpt #: 329 total cpu time spent up to now is 187.7 secs Computing kpt #: 330 total cpu time spent up to now is 188.2 secs Computing kpt #: 331 total cpu time spent up to now is 188.7 secs Computing kpt #: 332 total cpu time spent up to now is 189.3 secs Computing kpt #: 333 total cpu time spent up to now is 189.8 secs Computing kpt #: 334 total cpu time spent up to now is 190.3 secs Computing kpt #: 335 total cpu time spent up to now is 190.9 secs Computing kpt #: 336 total cpu time spent up to now is 191.6 secs Computing kpt #: 337 total cpu time spent up to now is 192.2 secs Computing kpt #: 338 total cpu time spent up to now is 192.8 secs Computing kpt #: 339 total cpu time spent up to now is 193.5 secs Computing kpt #: 340 total cpu time spent up to now is 194.1 secs ethr = 2.50E-08, avg # of iterations = 16.8 total cpu time spent up to now is 194.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3091 PWs) bands (ev): -17.3965 -17.3965 -4.1002 -4.1002 -2.3710 -2.3710 -2.0673 -2.0673 -1.9863 -1.9863 0.1775 0.1775 4.4532 4.4532 6.9364 6.9364 7.0059 7.0059 7.3382 7.3382 7.3626 7.3626 7.4766 7.4766 7.7333 7.7333 8.4531 8.4531 8.5123 8.5123 8.9869 8.9869 9.0287 9.0287 9.1284 9.1284 9.4219 9.4219 10.3175 10.3175 10.9540 10.9540 11.0966 11.0966 12.8410 12.8410 12.8985 12.8985 k = 0.0000 0.0000 0.0206 ( 3079 PWs) bands (ev): -17.3964 -17.3964 -4.1005 -4.1005 -2.3727 -2.3727 -2.0805 -2.0805 -1.9703 -1.9703 0.1767 0.1767 4.4548 4.4548 6.9351 6.9351 7.0046 7.0046 7.3384 7.3384 7.3615 7.3615 7.4754 7.4754 7.7339 7.7339 8.4525 8.4525 8.5132 8.5132 8.9862 8.9862 9.0277 9.0277 9.1272 9.1272 9.4237 9.4237 10.3127 10.3127 10.9540 10.9540 11.0959 11.0959 12.8377 12.8377 12.9072 12.9072 k = 0.0000 0.0000 0.0412 ( 3079 PWs) bands (ev): -17.3962 -17.3962 -4.1015 -4.1015 -2.3780 -2.3780 -2.1058 -2.1058 -1.9364 -1.9364 0.1741 0.1741 4.4598 4.4598 6.9309 6.9309 7.0011 7.0011 7.3382 7.3382 7.3577 7.3577 7.4725 7.4725 7.7357 7.7357 8.4512 8.4512 8.5152 8.5152 8.9839 8.9839 9.0246 9.0246 9.1236 9.1236 9.4285 9.4285 10.2990 10.2990 10.9485 10.9485 11.0994 11.0994 12.8286 12.8286 12.9315 12.9315 k = 0.0000 0.0000 0.0618 ( 3083 PWs) bands (ev): -17.3958 -17.3958 -4.1032 -4.1032 -2.3867 -2.3867 -2.1316 -2.1316 -1.8963 -1.8963 0.1697 0.1697 4.4680 4.4680 6.9227 6.9227 6.9963 6.9963 7.3370 7.3370 7.3501 7.3501 7.4699 7.4699 7.7386 7.7386 8.4494 8.4494 8.5182 8.5182 8.9802 8.9802 9.0197 9.0197 9.1180 9.1180 9.4358 9.4358 10.2781 10.2781 10.9263 10.9263 11.1185 11.1185 12.8147 12.8147 12.9683 12.9683 k = 0.0000 0.0000 0.0824 ( 3083 PWs) bands (ev): -17.3952 -17.3952 -4.1055 -4.1055 -2.3989 -2.3989 -2.1549 -2.1549 -1.8529 -1.8529 0.1637 0.1637 4.4794 4.4794 6.9095 6.9095 6.9920 6.9920 7.3280 7.3280 7.3437 7.3437 7.4697 7.4697 7.7426 7.7426 8.4472 8.4472 8.5220 8.5220 8.9748 8.9748 9.0130 9.0130 9.1108 9.1108 9.4453 9.4453 10.2519 10.2519 10.8846 10.8846 11.1567 11.1567 12.7963 12.7963 13.0140 13.0140 k = 0.0000 0.0000 0.1031 ( 3083 PWs) bands (ev): -17.3945 -17.3945 -4.1085 -4.1085 -2.4143 -2.4143 -2.1749 -2.1749 -1.8076 -1.8076 0.1560 0.1560 4.4938 4.4938 6.8905 6.8905 6.9889 6.9889 7.3045 7.3045 7.3439 7.3439 7.4731 7.4731 7.7475 7.7475 8.4449 8.4449 8.5262 8.5262 8.9677 8.9677 9.0050 9.0050 9.1026 9.1026 9.4561 9.4561 10.2224 10.2224 10.8284 10.8284 11.2098 11.2098 12.7735 12.7735 13.0651 13.0651 k = 0.0000 0.0000 0.1237 ( 3085 PWs) bands (ev): -17.3937 -17.3937 -4.1121 -4.1121 -2.4324 -2.4324 -2.1916 -2.1916 -1.7607 -1.7607 0.1468 0.1468 4.5111 4.5111 6.8655 6.8655 6.9875 6.9875 7.2714 7.2714 7.3463 7.3463 7.4801 7.4801 7.7534 7.7534 8.4426 8.4426 8.5306 8.5306 8.9585 8.9585 8.9961 8.9961 9.0935 9.0935 9.4678 9.4678 10.1909 10.1909 10.7630 10.7630 11.2739 11.2739 12.7466 12.7466 13.1177 13.1177 k = 0.0000 0.0000 0.1443 ( 3085 PWs) bands (ev): -17.3927 -17.3927 -4.1164 -4.1164 -2.4526 -2.4526 -2.2051 -2.2051 -1.7128 -1.7128 0.1361 0.1361 4.5312 4.5312 6.8353 6.8353 6.9875 6.9875 7.2307 7.2307 7.3501 7.3501 7.4899 7.4899 7.7601 7.7601 8.4404 8.4404 8.5349 8.5349 8.9476 8.9476 8.9865 8.9865 9.0839 9.0839 9.4798 9.4798 10.1586 10.1586 10.6921 10.6921 11.3464 11.3464 12.7160 12.7160 13.1686 13.1686 k = 0.0000 0.0000 0.1649 ( 3087 PWs) bands (ev): -17.3915 -17.3915 -4.1212 -4.1212 -2.4741 -2.4741 -2.2162 -2.2162 -1.6641 -1.6641 0.1240 0.1240 4.5537 4.5537 6.8004 6.8004 6.9885 6.9885 7.1834 7.1834 7.3550 7.3550 7.5017 7.5017 7.7676 7.7676 8.4384 8.4384 8.5392 8.5392 8.9349 8.9349 8.9765 8.9765 9.0737 9.0737 9.4917 9.4917 10.1263 10.1263 10.6184 10.6184 11.4257 11.4257 12.6822 12.6822 13.2149 13.2149 k = 0.0000 0.0000 0.1855 ( 3091 PWs) bands (ev): -17.3903 -17.3903 -4.1266 -4.1266 -2.4962 -2.4962 -2.2253 -2.2253 -1.6149 -1.6149 0.1107 0.1107 4.5785 4.5785 6.7616 6.7616 6.9905 6.9905 7.1306 7.1306 7.3611 7.3611 7.5149 7.5149 7.7757 7.7757 8.4366 8.4366 8.5430 8.5430 8.9207 8.9207 8.9662 8.9662 9.0630 9.0630 9.5033 9.5033 10.0945 10.0945 10.5440 10.5440 11.5110 11.5110 12.6458 12.6458 13.2546 13.2546 k = 0.0000 0.0000 0.2061 ( 3095 PWs) bands (ev): -17.3888 -17.3888 -4.1326 -4.1326 -2.5184 -2.5184 -2.2328 -2.2328 -1.5654 -1.5654 0.0962 0.0962 4.6052 4.6052 6.7197 6.7197 6.9930 6.9930 7.0734 7.0734 7.3686 7.3686 7.5288 7.5288 7.7844 7.7844 8.4348 8.4348 8.5465 8.5465 8.9054 8.9054 8.9555 8.9555 9.0519 9.0519 9.5143 9.5143 10.0635 10.0635 10.4704 10.4704 11.6015 11.6015 12.6073 12.6073 13.2866 13.2866 k = 0.0000 0.0000 0.2267 ( 3095 PWs) bands (ev): -17.3873 -17.3873 -4.1390 -4.1390 -2.5402 -2.5402 -2.2390 -2.2390 -1.5159 -1.5159 0.0807 0.0807 4.6333 4.6333 6.6753 6.6753 6.9942 6.9942 7.0143 7.0143 7.3772 7.3772 7.5431 7.5431 7.7937 7.7937 8.4330 8.4330 8.5494 8.5494 8.8893 8.8893 8.9444 8.9444 9.0404 9.0404 9.5247 9.5247 10.0336 10.0336 10.3989 10.3989 11.6966 11.6966 12.5672 12.5672 13.3101 13.3101 k = 0.0000 0.0000 0.2473 ( 3091 PWs) bands (ev): -17.3856 -17.3856 -4.1459 -4.1459 -2.5612 -2.5612 -2.2444 -2.2444 -1.4665 -1.4665 0.0642 0.0642 4.6626 4.6626 6.6291 6.6291 6.9454 6.9454 7.0025 7.0025 7.3870 7.3870 7.5573 7.5573 7.8034 7.8034 8.4311 8.4311 8.5517 8.5517 8.8727 8.8727 8.9329 8.9329 9.0283 9.0283 9.5342 9.5342 10.0048 10.0048 10.3304 10.3304 11.7958 11.7958 12.5262 12.5262 13.3251 13.3251 k = 0.0000 0.0000 0.2680 ( 3095 PWs) bands (ev): -17.3838 -17.3838 -4.1532 -4.1532 -2.5814 -2.5814 -2.2489 -2.2489 -1.4174 -1.4174 0.0470 0.0470 4.6924 4.6924 6.5821 6.5821 6.8783 6.8783 7.0068 7.0068 7.3980 7.3980 7.5709 7.5709 7.8134 7.8134 8.4289 8.4289 8.5531 8.5531 8.8558 8.8558 8.9209 8.9209 9.0158 9.0158 9.5430 9.5430 9.9771 9.9771 10.2656 10.2656 11.8988 11.8988 12.4848 12.4848 13.3321 13.3321 k = 0.0000 0.0000 0.2886 ( 3089 PWs) bands (ev): -17.3819 -17.3819 -4.1608 -4.1608 -2.6004 -2.6004 -2.2528 -2.2528 -1.3690 -1.3690 0.0292 0.0292 4.7222 4.7222 6.5351 6.5351 6.8087 6.8087 7.0121 7.0121 7.4102 7.4102 7.5836 7.5836 7.8239 7.8239 8.4265 8.4265 8.5538 8.5538 8.8390 8.8390 8.9085 8.9085 9.0028 9.0028 9.5508 9.5508 9.9505 9.9505 10.2051 10.2051 12.0048 12.0048 12.4436 12.4436 13.3315 13.3315 k = 0.0000 0.0000 0.3092 ( 3085 PWs) bands (ev): -17.3799 -17.3799 -4.1687 -4.1687 -2.6183 -2.6183 -2.2561 -2.2561 -1.3213 -1.3213 0.0109 0.0109 4.7514 4.7514 6.4891 6.4891 6.7372 6.7372 7.0181 7.0181 7.4235 7.4235 7.5952 7.5952 7.8347 7.8347 8.4236 8.4236 8.5534 8.5534 8.8224 8.8224 8.8957 8.8957 8.9893 8.9893 9.5579 9.5579 9.9250 9.9250 10.1494 10.1494 12.1125 12.1125 12.4039 12.4039 13.3241 13.3241 k = 0.0000 0.0000 0.3298 ( 3087 PWs) bands (ev): -17.3778 -17.3778 -4.1769 -4.1769 -2.6349 -2.6349 -2.2588 -2.2588 -1.2746 -1.2746 -0.0077 -0.0077 4.7791 4.7791 6.4450 6.4450 6.6644 6.6644 7.0247 7.0247 7.4379 7.4379 7.6051 7.6051 7.8455 7.8455 8.4201 8.4201 8.5518 8.5518 8.8063 8.8063 8.8824 8.8824 8.9752 8.9752 9.5641 9.5641 9.9003 9.9003 10.0988 10.0988 12.2156 12.2156 12.3717 12.3717 13.3107 13.3107 k = 0.0000 0.0000 0.3504 ( 3085 PWs) bands (ev): -17.3757 -17.3757 -4.1851 -4.1851 -2.6502 -2.6502 -2.2611 -2.2611 -1.2291 -1.2291 -0.0266 -0.0266 4.8048 4.8048 6.4040 6.4040 6.5907 6.5907 7.0320 7.0320 7.4535 7.4535 7.6133 7.6133 7.8565 7.8565 8.4159 8.4159 8.5488 8.5488 8.7909 8.7909 8.8689 8.8689 8.9607 8.9607 9.5697 9.5697 9.8766 9.8766 10.0535 10.0535 12.2702 12.2702 12.3904 12.3904 13.2920 13.2920 k = 0.0000 0.0000 0.3710 ( 3085 PWs) bands (ev): -17.3734 -17.3734 -4.1935 -4.1935 -2.6642 -2.6642 -2.2629 -2.2629 -1.1851 -1.1851 -0.0455 -0.0455 4.8276 4.8276 6.3669 6.3669 6.5165 6.5165 7.0398 7.0398 7.4702 7.4702 7.6193 7.6193 7.8676 7.8676 8.4109 8.4109 8.5444 8.5444 8.7764 8.7764 8.8550 8.8550 8.9458 8.9458 9.5745 9.5745 9.8534 9.8534 10.0137 10.0137 12.2463 12.2463 12.4894 12.4894 13.2686 13.2686 k = 0.0000 0.0000 0.3916 ( 3097 PWs) bands (ev): -17.3711 -17.3711 -4.2019 -4.2019 -2.6770 -2.6770 -2.2642 -2.2642 -1.1426 -1.1426 -0.0643 -0.0643 4.8467 4.8467 6.3348 6.3348 6.4422 6.4422 7.0481 7.0481 7.4878 7.4878 7.6231 7.6231 7.8787 7.8787 8.4050 8.4050 8.5383 8.5383 8.7630 8.7630 8.8408 8.8408 8.9303 8.9303 9.5785 9.5785 9.8308 9.8308 9.9792 9.9792 12.2040 12.2040 12.6074 12.6074 13.2413 13.2413 k = 0.0000 0.0000 0.4122 ( 3101 PWs) bands (ev): -17.3687 -17.3687 -4.2103 -4.2103 -2.6885 -2.6885 -2.2651 -2.2651 -1.1020 -1.1020 -0.0829 -0.0829 4.8616 4.8616 6.3081 6.3081 6.3686 6.3686 7.0570 7.0570 7.5066 7.5066 7.6244 7.6244 7.8897 7.8897 8.3980 8.3980 8.5305 8.5305 8.7508 8.7508 8.8263 8.8263 8.9146 8.9146 9.5821 9.5821 9.8085 9.8085 9.9502 9.9502 12.1558 12.1558 12.7310 12.7310 13.2108 13.2108 k = 0.0000 0.0000 0.4329 ( 3101 PWs) bands (ev): -17.3662 -17.3662 -4.2185 -4.2185 -2.6988 -2.6988 -2.2655 -2.2655 -1.0635 -1.0635 -0.1011 -0.1011 4.8718 4.8718 6.2810 6.2810 6.3024 6.3024 7.0665 7.0665 7.5264 7.5264 7.6232 7.6232 7.9007 7.9007 8.3902 8.3902 8.5209 8.5209 8.7400 8.7400 8.8117 8.8117 8.8985 8.8985 9.5853 9.5853 9.7866 9.7866 9.9263 9.9263 12.1026 12.1026 12.8575 12.8575 13.1778 13.1778 k = 0.0000 0.0000 0.4535 ( 3101 PWs) bands (ev): -17.3637 -17.3637 -4.2265 -4.2265 -2.7079 -2.7079 -2.2656 -2.2656 -1.0273 -1.0273 -0.1188 -0.1188 4.8772 4.8772 6.2170 6.2170 6.2806 6.2806 7.0765 7.0765 7.5470 7.5470 7.6196 7.6196 7.9116 7.9116 8.3813 8.3813 8.5095 8.5095 8.7306 8.7306 8.7968 8.7968 8.8825 8.8825 9.5880 9.5880 9.7650 9.7650 9.9074 9.9074 12.0441 12.0441 12.9848 12.9848 13.1444 13.1444 k = 0.0000 0.0000 0.4741 ( 3101 PWs) bands (ev): -17.3612 -17.3612 -4.2344 -4.2344 -2.7159 -2.7159 -2.2652 -2.2652 -0.9936 -0.9936 -0.1360 -0.1360 4.8778 4.8778 6.1452 6.1452 6.2745 6.2745 7.0870 7.0870 7.5676 7.5676 7.6141 7.6141 7.9222 7.9222 8.3715 8.3715 8.4965 8.4965 8.7225 8.7225 8.7817 8.7817 8.8666 8.8666 9.5903 9.5903 9.7435 9.7435 9.8929 9.8929 11.9794 11.9794 13.0816 13.0816 13.1417 13.1417 k = 0.0000 0.0000 0.4947 ( 3109 PWs) bands (ev): -17.3586 -17.3586 -4.2419 -4.2419 -2.7227 -2.7227 -2.2645 -2.2645 -0.9625 -0.9625 -0.1524 -0.1524 4.8740 4.8740 6.0737 6.0737 6.2759 6.2759 7.0980 7.0980 7.5837 7.5837 7.6113 7.6113 7.9325 7.9325 8.3608 8.3608 8.4821 8.4821 8.7154 8.7154 8.7661 8.7661 8.8510 8.8510 9.5923 9.5923 9.7221 9.7221 9.8826 9.8826 11.9080 11.9080 13.0584 13.0584 13.2595 13.2595 k = 0.0000 0.0000 0.5153 ( 3109 PWs) bands (ev): -17.3560 -17.3560 -4.2491 -4.2491 -2.7285 -2.7285 -2.2634 -2.2634 -0.9344 -0.9344 -0.1680 -0.1680 4.8666 4.8666 6.0032 6.0032 6.2837 6.2837 7.1094 7.1094 7.5819 7.5819 7.6248 7.6248 7.9424 7.9424 8.3493 8.3493 8.4664 8.4664 8.7092 8.7092 8.7502 8.7502 8.8362 8.8362 9.5940 9.5940 9.7008 9.7008 9.8759 9.8759 11.8298 11.8298 13.0208 13.0208 13.3920 13.3920 k = 0.0000 0.0000 0.5359 ( 3113 PWs) bands (ev): -17.3534 -17.3534 -4.2559 -4.2559 -2.7331 -2.7331 -2.2620 -2.2620 -0.9094 -0.9094 -0.1827 -0.1827 4.8564 4.8564 5.9340 5.9340 6.2968 6.2968 7.1211 7.1211 7.5687 7.5687 7.6479 7.6479 7.9519 7.9519 8.3372 8.3372 8.4497 8.4497 8.7032 8.7032 8.7340 8.7340 8.8226 8.8226 9.5956 9.5956 9.6794 9.6794 9.8724 9.8724 11.7448 11.7448 12.9820 12.9820 13.5236 13.5236 k = 0.0000 0.0000 0.5565 ( 3115 PWs) bands (ev): -17.3508 -17.3508 -4.2624 -4.2624 -2.7367 -2.7367 -2.2603 -2.2603 -0.8877 -0.8877 -0.1964 -0.1964 4.8445 4.8445 5.8662 5.8662 6.3142 6.3142 7.1332 7.1332 7.5512 7.5512 7.6737 7.6737 7.9609 7.9609 8.3245 8.3245 8.4323 8.4323 8.6967 8.6967 8.7181 8.7181 8.8103 8.8103 9.5968 9.5968 9.6578 9.6578 9.8715 9.8715 11.6537 11.6537 12.9435 12.9435 13.6043 13.6043 k = 0.0000 0.0000 0.5771 ( 3111 PWs) bands (ev): -17.3482 -17.3482 -4.2683 -4.2683 -2.7393 -2.7393 -2.2583 -2.2583 -0.8693 -0.8693 -0.2089 -0.2089 4.8320 4.8320 5.8000 5.8000 6.3348 6.3348 7.1456 7.1456 7.5308 7.5308 7.7011 7.7011 7.9693 7.9693 8.3116 8.3116 8.4144 8.4144 8.6873 8.6873 8.7048 8.7048 8.7998 8.7998 9.5979 9.5979 9.6361 9.6361 9.8727 9.8727 11.5572 11.5572 12.9065 12.9065 13.6345 13.6345 k = 0.0000 0.0000 0.5977 ( 3111 PWs) bands (ev): -17.3456 -17.3456 -4.2739 -4.2739 -2.7408 -2.7408 -2.2562 -2.2562 -0.8546 -0.8546 -0.2204 -0.2204 4.8199 4.8199 5.7356 5.7356 6.3575 6.3575 7.1582 7.1582 7.5078 7.5078 7.7296 7.7296 7.9770 7.9770 8.2984 8.2984 8.3963 8.3963 8.6723 8.6723 8.6963 8.6963 8.7912 8.7912 9.5987 9.5987 9.6142 9.6142 9.8752 9.8752 11.4564 11.4564 12.8717 12.8717 13.6734 13.6734 k = 0.0000 0.0000 0.6184 ( 3111 PWs) bands (ev): -17.3431 -17.3431 -4.2789 -4.2789 -2.7413 -2.7413 -2.2538 -2.2538 -0.8435 -0.8435 -0.2306 -0.2306 4.8091 4.8091 5.6730 5.6730 6.3811 6.3811 7.1707 7.1707 7.4826 7.4826 7.7593 7.7593 7.9839 7.9839 8.2852 8.2852 8.3780 8.3780 8.6542 8.6542 8.6907 8.6907 8.7844 8.7844 9.5909 9.5909 9.6002 9.6002 9.8784 9.8784 11.3521 11.3521 12.8403 12.8403 13.7234 13.7234 k = 0.0000 0.0000 0.6390 ( 3127 PWs) bands (ev): -17.3406 -17.3406 -4.2835 -4.2835 -2.7408 -2.7408 -2.2514 -2.2514 -0.8361 -0.8361 -0.2395 -0.2395 4.8005 4.8005 5.6123 5.6123 6.4047 6.4047 7.1831 7.1831 7.4556 7.4556 7.7900 7.7900 7.9901 7.9901 8.2721 8.2721 8.3597 8.3597 8.6349 8.6349 8.6859 8.6859 8.7792 8.7792 9.5683 9.5683 9.6003 9.6003 9.8816 9.8816 11.2454 11.2454 12.8133 12.8133 13.7841 13.7841 k = 0.0000 0.0000 0.6596 ( 3132 PWs) bands (ev): -17.3381 -17.3381 -4.2877 -4.2877 -2.7393 -2.7393 -2.2488 -2.2488 -0.8325 -0.8325 -0.2472 -0.2472 4.7948 4.7948 5.5537 5.5537 6.4272 6.4272 7.1951 7.1951 7.4271 7.4271 7.8217 7.8217 7.9953 7.9953 8.2592 8.2592 8.3418 8.3418 8.6152 8.6152 8.6817 8.6817 8.7757 8.7757 9.5450 9.5450 9.6005 9.6005 9.8840 9.8840 11.1371 11.1371 12.7918 12.7918 13.8548 13.8548 k = 0.0000 0.0000 0.6802 ( 3130 PWs) bands (ev): -17.3356 -17.3356 -4.2913 -4.2913 -2.7368 -2.7368 -2.2461 -2.2461 -0.8326 -0.8326 -0.2535 -0.2535 4.7927 4.7927 5.4972 5.4972 6.4480 6.4480 7.2064 7.2064 7.3979 7.3979 7.8543 7.8543 7.9999 7.9999 8.2466 8.2466 8.3243 8.3243 8.5956 8.5956 8.6780 8.6780 8.7736 8.7736 9.5213 9.5213 9.6007 9.6007 9.8850 9.8850 11.0281 11.0281 12.7769 12.7769 13.9342 13.9342 k = 0.0000 0.0000 0.7008 ( 3132 PWs) bands (ev): -17.3333 -17.3333 -4.2946 -4.2946 -2.7334 -2.7334 -2.2433 -2.2433 -0.8364 -0.8364 -0.2585 -0.2585 4.7945 4.7945 5.4430 5.4430 6.4661 6.4661 7.2161 7.2161 7.3688 7.3688 7.8877 7.8877 8.0035 8.0035 8.2343 8.2343 8.3075 8.3075 8.5762 8.5762 8.6749 8.6749 8.7725 8.7725 9.4970 9.4970 9.6007 9.6007 9.8840 9.8840 10.9190 10.9190 12.7697 12.7697 14.0178 14.0178 k = 0.0000 0.0000 0.7214 ( 3124 PWs) bands (ev): -17.3310 -17.3310 -4.2973 -4.2973 -2.7290 -2.7290 -2.2405 -2.2405 -0.8438 -0.8438 -0.2622 -0.2622 4.8006 4.8006 5.3910 5.3910 6.4811 6.4811 7.2225 7.2225 7.3418 7.3418 7.9217 7.9217 8.0066 8.0066 8.2223 8.2223 8.2916 8.2916 8.5574 8.5574 8.6726 8.6726 8.7722 8.7722 9.4724 9.4724 9.6005 9.6005 9.8806 9.8806 10.8104 10.8104 12.7709 12.7709 13.9893 13.9893 k = 0.0000 0.0000 0.7420 ( 3124 PWs) bands (ev): -17.3287 -17.3287 -4.2997 -4.2997 -2.7237 -2.7237 -2.2376 -2.2376 -0.8545 -0.8545 -0.2647 -0.2647 4.8112 4.8112 5.3414 5.3414 6.4924 6.4924 7.2222 7.2222 7.3206 7.3206 7.9557 7.9557 8.0092 8.0092 8.2106 8.2106 8.2766 8.2766 8.5394 8.5394 8.6711 8.6711 8.7727 8.7727 9.4473 9.4473 9.6003 9.6003 9.8744 9.8744 10.7028 10.7028 12.7813 12.7813 13.9288 13.9288 k = 0.0000 0.0000 0.7626 ( 3120 PWs) bands (ev): -17.3266 -17.3266 -4.3017 -4.3017 -2.7175 -2.7175 -2.2347 -2.2347 -0.8684 -0.8684 -0.2660 -0.2660 4.8265 4.8265 5.2943 5.2943 6.4994 6.4994 7.2107 7.2107 7.3099 7.3099 7.9870 7.9870 8.0141 8.0141 8.1993 8.1993 8.2629 8.2629 8.5225 8.5225 8.6705 8.6705 8.7736 8.7736 9.4218 9.4218 9.6000 9.6000 9.8653 9.8653 10.5966 10.5966 12.8010 12.8010 13.8751 13.8751 k = 0.0000 0.0000 0.7833 ( 3116 PWs) bands (ev): -17.3245 -17.3245 -4.3034 -4.3034 -2.7105 -2.7105 -2.2317 -2.2317 -0.8852 -0.8852 -0.2663 -0.2663 4.8465 4.8465 5.2496 5.2496 6.5019 6.5019 7.1883 7.1883 7.3095 7.3095 8.0020 8.0020 8.0343 8.0343 8.1884 8.1884 8.2505 8.2505 8.5068 8.5068 8.6711 8.6711 8.7750 8.7750 9.3960 9.3960 9.5996 9.5996 9.8535 9.8535 10.4922 10.4922 12.8298 12.8298 13.8289 13.8289 k = 0.0000 0.0000 0.8039 ( 3120 PWs) bands (ev): -17.3225 -17.3225 -4.3047 -4.3047 -2.7028 -2.7028 -2.2286 -2.2286 -0.9045 -0.9045 -0.2656 -0.2656 4.8710 4.8710 5.2076 5.2076 6.4997 6.4997 7.1598 7.1598 7.3150 7.3150 8.0038 8.0038 8.0661 8.0661 8.1780 8.1780 8.2401 8.2401 8.4927 8.4927 8.6726 8.6726 8.7764 8.7764 9.3699 9.3699 9.5991 9.5991 9.8390 9.8390 10.3899 10.3899 12.8671 12.8671 13.7905 13.7905 k = 0.0000 0.0000 0.8245 ( 3120 PWs) bands (ev): -17.3206 -17.3206 -4.3058 -4.3058 -2.6945 -2.6945 -2.2255 -2.2255 -0.9260 -0.9260 -0.2640 -0.2640 4.8998 4.8998 5.1682 5.1682 6.4925 6.4925 7.1287 7.1287 7.3231 7.3231 8.0028 8.0028 8.0975 8.0975 8.1686 8.1686 8.2322 8.2322 8.4805 8.4805 8.6754 8.6754 8.7782 8.7782 9.3436 9.3436 9.5986 9.5986 9.8223 9.8223 10.2899 10.2899 12.9116 12.9116 13.7606 13.7606 k = 0.0000 0.0000 0.8451 ( 3118 PWs) bands (ev): -17.3189 -17.3189 -4.3066 -4.3066 -2.6857 -2.6857 -2.2222 -2.2222 -0.9492 -0.9492 -0.2617 -0.2617 4.9326 4.9326 5.1318 5.1318 6.4803 6.4803 7.0970 7.0970 7.3321 7.3321 8.0006 8.0006 8.1230 8.1230 8.1620 8.1620 8.2289 8.2289 8.4710 8.4710 8.6794 8.6794 8.7801 8.7801 9.3173 9.3173 9.5982 9.5982 9.8039 9.8039 10.1926 10.1926 12.9613 12.9613 13.7401 13.7401 k = 0.0000 0.0000 0.8657 ( 3124 PWs) bands (ev): -17.3172 -17.3172 -4.3072 -4.3072 -2.6765 -2.6765 -2.2189 -2.2189 -0.9737 -0.9737 -0.2589 -0.2589 4.9684 4.9684 5.0990 5.0990 6.4632 6.4632 7.0655 7.0655 7.3412 7.3412 7.9974 7.9974 8.1333 8.1333 8.1628 8.1628 8.2335 8.2335 8.4650 8.4650 8.6845 8.6845 8.7819 8.7819 9.2910 9.2910 9.5977 9.5977 9.7842 9.7842 10.0982 10.0982 13.0137 13.0137 13.7304 13.7304 k = 0.0000 0.0000 0.8863 ( 3128 PWs) bands (ev): -17.3157 -17.3157 -4.3076 -4.3076 -2.6670 -2.6670 -2.2154 -2.2154 -0.9991 -0.9991 -0.2556 -0.2556 5.0038 5.0038 5.0728 5.0728 6.4413 6.4413 7.0350 7.0350 7.3502 7.3502 7.9934 7.9934 8.1299 8.1299 8.1666 8.1666 8.2478 8.2478 8.4636 8.4636 8.6908 8.6908 8.7838 8.7838 9.2649 9.2649 9.5971 9.5971 9.7639 9.7639 10.0072 10.0072 13.0653 13.0653 13.7335 13.7335 k = 0.0000 0.0000 0.9069 ( 3128 PWs) bands (ev): -17.3142 -17.3142 -4.3078 -4.3078 -2.6575 -2.6575 -2.2118 -2.2118 -1.0249 -1.0249 -0.2520 -0.2520 5.0175 5.0175 5.0741 5.0741 6.4150 6.4150 7.0060 7.0060 7.3588 7.3588 7.9887 7.9887 8.1230 8.1230 8.1665 8.1665 8.2665 8.2665 8.4688 8.4688 8.6982 8.6982 8.7857 8.7857 9.2392 9.2392 9.5964 9.5964 9.7430 9.7430 9.9200 9.9200 13.1125 13.1125 13.7514 13.7514 k = 0.0000 0.0000 0.9275 ( 3122 PWs) bands (ev): -17.3129 -17.3129 -4.3079 -4.3079 -2.6482 -2.6482 -2.2082 -2.2082 -1.0504 -1.0504 -0.2483 -0.2483 5.0001 5.0001 5.1117 5.1117 6.3846 6.3846 6.9786 6.9786 7.3668 7.3668 7.9836 7.9836 8.1157 8.1157 8.1642 8.1642 8.2832 8.2832 8.4820 8.4820 8.7067 8.7067 8.7874 8.7874 9.2139 9.2139 9.5956 9.5956 9.7213 9.7213 9.8381 9.8381 13.1521 13.1521 13.7854 13.7854 k = 0.0000 0.0000 0.9482 ( 3122 PWs) bands (ev): -17.3117 -17.3117 -4.3080 -4.3080 -2.6391 -2.6391 -2.2044 -2.2044 -1.0753 -1.0753 -0.2446 -0.2446 4.9787 4.9787 5.1580 5.1580 6.3508 6.3508 6.9534 6.9534 7.3742 7.3742 7.9781 7.9781 8.1085 8.1085 8.1613 8.1613 8.2949 8.2949 8.5035 8.5035 8.7161 8.7161 8.7891 8.7891 9.1895 9.1895 9.5944 9.5944 9.6950 9.6950 9.7660 9.7660 13.1823 13.1823 13.8351 13.8351 k = 0.0000 0.0000 0.9688 ( 3122 PWs) bands (ev): -17.3107 -17.3107 -4.3080 -4.3080 -2.6306 -2.6306 -2.2007 -2.2007 -1.0989 -1.0989 -0.2409 -0.2409 4.9586 4.9586 5.2066 5.2066 6.3143 6.3143 6.9304 6.9304 7.3809 7.3809 7.9726 7.9726 8.1019 8.1019 8.1585 8.1585 8.3016 8.3016 8.5319 8.5319 8.7263 8.7263 8.7906 8.7906 9.1661 9.1661 9.5914 9.5914 9.6531 9.6531 9.7172 9.7172 13.2035 13.2035 13.8978 13.8978 k = 0.0000 0.0000 0.9894 ( 3126 PWs) bands (ev): -17.3098 -17.3098 -4.3079 -4.3079 -2.6227 -2.6227 -2.1971 -2.1971 -1.1207 -1.1207 -0.2375 -0.2375 4.9408 4.9408 5.2555 5.2555 6.2761 6.2761 6.9101 6.9101 7.3867 7.3867 7.9672 7.9672 8.0960 8.0960 8.1560 8.1560 8.3045 8.3045 8.5648 8.5648 8.7371 8.7371 8.7919 8.7919 9.1439 9.1439 9.5724 9.5724 9.6101 9.6101 9.6921 9.6921 13.2173 13.2173 13.9690 13.9690 k = 0.0000 0.0000 1.0100 ( 3126 PWs) bands (ev): -17.3090 -17.3090 -4.3078 -4.3078 -2.6158 -2.6158 -2.1937 -2.1937 -1.1403 -1.1403 -0.2345 -0.2345 4.9257 4.9257 5.3033 5.3033 6.2376 6.2376 6.8925 6.8925 7.3917 7.3917 7.9622 7.9622 8.0908 8.0908 8.1541 8.1541 8.3053 8.3053 8.5995 8.5995 8.7482 8.7482 8.7931 8.7931 9.1235 9.1235 9.5185 9.5185 9.6009 9.6009 9.6759 9.6759 13.2256 13.2256 14.0433 14.0433 k = 0.0000 0.0000 1.0306 ( 3130 PWs) bands (ev): -17.3084 -17.3084 -4.3077 -4.3077 -2.6098 -2.6098 -2.1906 -2.1906 -1.1571 -1.1571 -0.2318 -0.2318 4.9132 4.9132 5.3480 5.3480 6.2005 6.2005 6.8778 6.8778 7.3957 7.3957 7.9578 7.9578 8.0864 8.0864 8.1526 8.1526 8.3049 8.3049 8.6333 8.6333 8.7592 8.7592 8.7941 8.7941 9.1053 9.1053 9.4623 9.4623 9.5992 9.5992 9.6637 9.6637 13.2303 13.2303 14.1152 14.1152 k = 0.0000 0.0000 1.0512 ( 3130 PWs) bands (ev): -17.3079 -17.3079 -4.3076 -4.3076 -2.6051 -2.6051 -2.1880 -2.1880 -1.1707 -1.1707 -0.2297 -0.2297 4.9034 4.9034 5.3873 5.3873 6.1671 6.1671 6.8663 6.8663 7.3990 7.3990 7.9542 7.9542 8.0829 8.0829 8.1515 8.1515 8.3040 8.3040 8.6637 8.6637 8.7697 8.7697 8.7954 8.7954 9.0898 9.0898 9.4131 9.4131 9.5987 9.5987 9.6543 9.6543 13.2327 13.2327 14.1790 14.1790 k = 0.0000 0.0000 1.0718 ( 3132 PWs) bands (ev): -17.3075 -17.3075 -4.3075 -4.3075 -2.6016 -2.6016 -2.1861 -2.1861 -1.1806 -1.1806 -0.2281 -0.2281 4.8964 4.8964 5.4186 5.4186 6.1400 6.1400 6.8580 6.8580 7.4013 7.4013 7.9515 7.9515 8.0804 8.0804 8.1508 8.1508 8.3032 8.3032 8.6877 8.6877 8.7782 8.7782 8.7970 8.7970 9.0779 9.0779 9.3746 9.3746 9.5985 9.5985 9.6477 9.6477 13.2339 13.2339 14.2294 14.2294 k = 0.0000 0.0000 1.0924 ( 3140 PWs) bands (ev): -17.3073 -17.3073 -4.3075 -4.3075 -2.5994 -2.5994 -2.1849 -2.1849 -1.1868 -1.1868 -0.2271 -0.2271 4.8922 4.8922 5.4390 5.4390 6.1221 6.1221 6.8529 6.8529 7.4027 7.4027 7.9498 7.9498 8.0789 8.0789 8.1503 8.1503 8.3025 8.3025 8.7030 8.7030 8.7833 8.7833 8.7993 8.7993 9.0702 9.0702 9.3498 9.3498 9.5985 9.5985 9.6438 9.6438 13.2344 13.2344 14.2618 14.2618 k = 0.0000 0.0000 1.1130 ( 3140 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1845 -2.1845 -1.1888 -1.1888 -0.2268 -0.2268 4.8908 4.8908 5.4461 5.4461 6.1158 6.1158 6.8513 6.8513 7.4031 7.4031 7.9492 7.9492 8.0784 8.0784 8.1502 8.1502 8.3023 8.3023 8.7082 8.7082 8.7849 8.7849 8.8006 8.8006 9.0675 9.0675 9.3412 9.3412 9.5985 9.5985 9.6424 9.6424 13.2345 13.2345 14.2730 14.2730 k = 0.0000 0.0000 1.1130 ( 3140 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1845 -2.1845 -1.1888 -1.1888 -0.2268 -0.2268 4.8908 4.8908 5.4461 5.4461 6.1158 6.1158 6.8513 6.8513 7.4031 7.4031 7.9492 7.9492 8.0784 8.0784 8.1502 8.1502 8.3023 8.3023 8.7082 8.7082 8.7849 8.7849 8.8006 8.8006 9.0675 9.0675 9.3412 9.3412 9.5985 9.5985 9.6424 9.6424 13.2345 13.2345 14.2730 14.2730 k =-0.0090 0.0180 1.1130 ( 3140 PWs) bands (ev): -17.3073 -17.3073 -4.3075 -4.3075 -2.5993 -2.5993 -2.1850 -2.1850 -1.1865 -1.1865 -0.2281 -0.2281 4.8939 4.8939 5.4472 5.4472 6.1163 6.1163 6.8514 6.8514 7.4012 7.4012 7.9491 7.9491 8.0774 8.0774 8.1505 8.1505 8.3020 8.3020 8.7061 8.7061 8.7846 8.7846 8.8040 8.8040 9.0672 9.0672 9.3338 9.3338 9.6059 9.6059 9.6428 9.6428 13.2368 13.2368 14.2707 14.2707 k =-0.0181 0.0359 1.1130 ( 3140 PWs) bands (ev): -17.3075 -17.3075 -4.3075 -4.3075 -2.6009 -2.6009 -2.1867 -2.1867 -1.1795 -1.1795 -0.2320 -0.2320 4.9030 4.9030 5.4505 5.4505 6.1179 6.1179 6.8517 6.8517 7.3954 7.3954 7.9488 7.9488 8.0744 8.0744 8.1515 8.1515 8.3011 8.3011 8.7006 8.7006 8.7840 8.7840 8.8131 8.8131 9.0665 9.0665 9.3140 9.3140 9.6244 9.6244 9.6455 9.6455 13.2435 13.2435 14.2638 14.2638 k =-0.0271 0.0539 1.1130 ( 3136 PWs) bands (ev): -17.3078 -17.3078 -4.3076 -4.3076 -2.6036 -2.6036 -2.1895 -2.1895 -1.1680 -1.1680 -0.2384 -0.2384 4.9180 4.9180 5.4559 5.4559 6.1205 6.1205 6.8524 6.8524 7.3858 7.3858 7.9483 7.9483 8.0694 8.0694 8.1531 8.1531 8.2994 8.2994 8.6932 8.6932 8.7833 8.7833 8.8266 8.8266 9.0654 9.0654 9.2865 9.2865 9.6371 9.6371 9.6628 9.6628 13.2540 13.2540 14.2525 14.2525 k =-0.0361 0.0718 1.1130 ( 3128 PWs) bands (ev): -17.3083 -17.3083 -4.3076 -4.3076 -2.6073 -2.6073 -2.1933 -2.1933 -1.1522 -1.1522 -0.2472 -0.2472 4.9389 4.9389 5.4635 5.4635 6.1241 6.1241 6.8532 6.8532 7.3724 7.3724 7.9475 7.9475 8.0625 8.0625 8.1555 8.1555 8.2972 8.2972 8.6849 8.6849 8.7824 8.7824 8.8430 8.8430 9.0644 9.0644 9.2553 9.2553 9.6394 9.6394 9.6957 9.6957 13.2674 13.2674 14.2369 14.2369 k =-0.0451 0.0898 1.1130 ( 3116 PWs) bands (ev): -17.3089 -17.3089 -4.3077 -4.3077 -2.6118 -2.6118 -2.1979 -2.1979 -1.1325 -1.1325 -0.2583 -0.2583 4.9653 4.9653 5.4733 5.4733 6.1286 6.1286 6.8542 6.8542 7.3552 7.3552 7.9464 7.9464 8.0538 8.0538 8.1583 8.1583 8.2942 8.2942 8.6767 8.6767 8.7813 8.7813 8.8617 8.8617 9.0635 9.0635 9.2228 9.2228 9.6401 9.6401 9.7329 9.7329 13.2822 13.2822 14.2172 14.2172 k =-0.0542 0.1077 1.1130 ( 3120 PWs) bands (ev): -17.3096 -17.3096 -4.3077 -4.3077 -2.6171 -2.6171 -2.2032 -2.2032 -1.1093 -1.1093 -0.2714 -0.2714 4.9971 4.9971 5.4852 5.4852 6.1341 6.1341 6.8554 6.8554 7.3342 7.3342 7.9448 7.9448 8.0434 8.0434 8.1617 8.1617 8.2904 8.2904 8.6688 8.6688 8.7799 8.7799 8.8821 8.8821 9.0631 9.0631 9.1908 9.1908 9.6406 9.6406 9.7721 9.7721 13.2968 13.2968 14.1936 14.1936 k =-0.0632 0.1257 1.1130 ( 3120 PWs) bands (ev): -17.3105 -17.3105 -4.3078 -4.3078 -2.6230 -2.6230 -2.2091 -2.2091 -1.0830 -1.0830 -0.2863 -0.2863 5.0339 5.0339 5.4992 5.4992 6.1405 6.1405 6.8568 6.8568 7.3095 7.3095 7.9424 7.9424 8.0318 8.0318 8.1657 8.1657 8.2857 8.2857 8.6617 8.6617 8.7783 8.7783 8.9041 8.9041 9.0635 9.0635 9.1606 9.1606 9.6410 9.6410 9.8121 9.8121 13.3092 13.3092 14.1664 14.1664 k =-0.0632 0.1257 1.1130 ( 3120 PWs) bands (ev): -17.3105 -17.3105 -4.3078 -4.3078 -2.6230 -2.6230 -2.2091 -2.2091 -1.0830 -1.0830 -0.2863 -0.2863 5.0339 5.0339 5.4992 5.4992 6.1405 6.1405 6.8568 6.8568 7.3095 7.3095 7.9424 7.9424 8.0318 8.0318 8.1657 8.1657 8.2857 8.2857 8.6617 8.6617 8.7783 8.7783 8.9041 8.9041 9.0635 9.0635 9.1606 9.1606 9.6410 9.6410 9.8121 9.8121 13.3092 13.3092 14.1664 14.1664 k =-0.0696 0.1385 1.0987 ( 3118 PWs) bands (ev): -17.3112 -17.3112 -4.3078 -4.3078 -2.6279 -2.6279 -2.2136 -2.2136 -1.0618 -1.0618 -0.2980 -0.2980 5.0636 5.0636 5.5069 5.5069 6.1485 6.1485 6.8587 6.8587 7.2897 7.2897 7.9403 7.9403 8.0233 8.0233 8.1688 8.1688 8.2819 8.2819 8.6559 8.6559 8.7764 8.7764 8.9178 8.9178 9.0653 9.0653 9.1454 9.1454 9.6420 9.6420 9.8418 9.8418 13.3147 13.3147 14.1404 14.1404 k =-0.0761 0.1513 1.0844 ( 3110 PWs) bands (ev): -17.3120 -17.3120 -4.3079 -4.3079 -2.6337 -2.6337 -2.2180 -2.2180 -1.0378 -1.0378 -0.3107 -0.3107 5.0966 5.0966 5.5087 5.5087 6.1629 6.1629 6.8621 6.8621 7.2680 7.2680 7.9376 7.9376 8.0152 8.0152 8.1722 8.1722 8.2778 8.2778 8.6487 8.6487 8.7733 8.7733 8.9258 8.9258 9.0688 9.0688 9.1419 9.1419 9.6443 9.6443 9.8734 9.8734 13.3156 13.3156 14.1045 14.1045 k =-0.0825 0.1640 1.0702 ( 3108 PWs) bands (ev): -17.3130 -17.3130 -4.3082 -4.3082 -2.6404 -2.6404 -2.2222 -2.2222 -1.0115 -1.0115 -0.3244 -0.3244 5.1327 5.1327 5.5050 5.5050 6.1828 6.1828 6.8669 6.8669 7.2444 7.2444 7.9336 7.9336 8.0081 8.0081 8.1758 8.1758 8.2735 8.2735 8.6407 8.6407 8.7692 8.7692 8.9278 8.9278 9.0736 9.0736 9.1499 9.1499 9.6483 9.6483 9.9069 9.9069 13.3099 13.3099 14.0607 14.0607 k =-0.0889 0.1768 1.0559 ( 3118 PWs) bands (ev): -17.3141 -17.3141 -4.3086 -4.3086 -2.6479 -2.6479 -2.2260 -2.2260 -0.9831 -0.9831 -0.3388 -0.3388 5.1717 5.1717 5.4968 5.4968 6.2075 6.2075 6.8731 6.8731 7.2192 7.2192 7.9274 7.9274 8.0027 8.0027 8.1794 8.1794 8.2688 8.2688 8.6324 8.6324 8.7645 8.7645 8.9253 8.9253 9.0800 9.0800 9.1671 9.1671 9.6538 9.6538 9.9422 9.9422 13.2959 13.2959 14.0116 14.0116 k =-0.0953 0.1896 1.0416 ( 3116 PWs) bands (ev): -17.3153 -17.3153 -4.3091 -4.3091 -2.6561 -2.6561 -2.2290 -2.2290 -0.9530 -0.9530 -0.3539 -0.3539 5.2133 5.2133 5.4849 5.4849 6.2357 6.2357 6.8806 6.8806 7.1929 7.1929 7.9184 7.9184 7.9998 7.9998 8.1831 8.1831 8.2644 8.2644 8.6246 8.6246 8.7595 8.7595 8.9204 8.9204 9.0878 9.0878 9.1909 9.1909 9.6612 9.6612 9.9793 9.9793 13.2717 13.2717 13.9597 13.9597 k =-0.1017 0.2024 1.0273 ( 3116 PWs) bands (ev): -17.3165 -17.3165 -4.3099 -4.3099 -2.6650 -2.6650 -2.2312 -2.2312 -0.9215 -0.9215 -0.3695 -0.3695 5.2571 5.2571 5.4702 5.4702 6.2663 6.2663 6.8891 6.8891 7.1655 7.1655 7.9063 7.9063 7.9995 7.9995 8.1866 8.1866 8.2603 8.2603 8.6177 8.6177 8.7544 8.7544 8.9145 8.9145 9.0969 9.0969 9.2193 9.2193 9.6706 9.6706 10.0183 10.0183 13.2362 13.2362 13.9074 13.9074 k =-0.1082 0.2151 1.0130 ( 3114 PWs) bands (ev): -17.3179 -17.3179 -4.3110 -4.3110 -2.6745 -2.6745 -2.2324 -2.2324 -0.8890 -0.8890 -0.3855 -0.3855 5.3024 5.3024 5.4538 5.4538 6.2984 6.2984 6.8986 6.8986 7.1376 7.1376 7.8914 7.8914 8.0017 8.0017 8.1896 8.1896 8.2570 8.2570 8.6120 8.6120 8.7491 8.7491 8.9086 8.9086 9.1069 9.1069 9.2511 9.2511 9.6821 9.6821 10.0590 10.0590 13.1889 13.1889 13.8562 13.8562 k =-0.1146 0.2279 0.9987 ( 3109 PWs) bands (ev): -17.3193 -17.3193 -4.3123 -4.3123 -2.6844 -2.6844 -2.2325 -2.2325 -0.8558 -0.8558 -0.4017 -0.4017 5.3480 5.3480 5.4375 5.4375 6.3310 6.3310 6.9087 6.9087 7.1097 7.1097 7.8742 7.8742 8.0060 8.0060 8.1917 8.1917 8.2550 8.2550 8.6076 8.6076 8.7438 8.7438 8.9032 8.9032 9.1175 9.1175 9.2858 9.2858 9.6958 9.6958 10.1013 10.1013 13.1302 13.1302 13.8067 13.8067 k =-0.1210 0.2407 0.9844 ( 3105 PWs) bands (ev): -17.3208 -17.3208 -4.3139 -4.3139 -2.6946 -2.6946 -2.2315 -2.2315 -0.8222 -0.8222 -0.4181 -0.4181 5.3851 5.3851 5.4299 5.4299 6.3634 6.3634 6.9194 6.9194 7.0821 7.0821 7.8553 7.8553 8.0120 8.0120 8.1928 8.1928 8.2547 8.2547 8.6046 8.6046 8.7386 8.7386 8.8983 8.8983 9.1283 9.1283 9.3231 9.3231 9.7117 9.7117 10.1453 10.1453 13.0617 13.0617 13.7587 13.7587 k =-0.1274 0.2535 0.9701 ( 3099 PWs) bands (ev): -17.3224 -17.3224 -4.3158 -4.3158 -2.7051 -2.7051 -2.2293 -2.2293 -0.7884 -0.7884 -0.4344 -0.4344 5.3841 5.3841 5.4608 5.4608 6.3949 6.3949 6.9301 6.9301 7.0556 7.0556 7.8352 7.8352 8.0194 8.0194 8.1927 8.1927 8.2563 8.2563 8.6028 8.6028 8.7335 8.7335 8.8942 8.8942 9.1392 9.1392 9.3632 9.3632 9.7297 9.7297 10.1908 10.1908 12.9856 12.9856 13.7114 13.7114 k =-0.1339 0.2662 0.9558 ( 3099 PWs) bands (ev): -17.3240 -17.3240 -4.3180 -4.3180 -2.7158 -2.7158 -2.2259 -2.2259 -0.7549 -0.7549 -0.4505 -0.4505 5.3663 5.3663 5.5088 5.5088 6.4249 6.4249 6.9403 6.9403 7.0311 7.0311 7.8143 7.8143 8.0280 8.0280 8.1915 8.1915 8.2598 8.2598 8.6021 8.6021 8.7281 8.7281 8.8907 8.8907 9.1502 9.1502 9.4060 9.4060 9.7497 9.7497 10.2377 10.2377 12.9041 12.9041 13.6641 13.6641 k =-0.1403 0.2790 0.9415 ( 3095 PWs) bands (ev): -17.3256 -17.3256 -4.3205 -4.3205 -2.7264 -2.7264 -2.2214 -2.2214 -0.7220 -0.7220 -0.4661 -0.4661 5.3461 5.3461 5.5594 5.5594 6.4530 6.4530 6.9481 6.9481 7.0106 7.0106 7.7932 7.7932 8.0376 8.0376 8.1897 8.1897 8.2648 8.2648 8.6022 8.6022 8.7226 8.7226 8.8879 8.8879 9.1610 9.1610 9.4517 9.4517 9.7716 9.7716 10.2860 10.2860 12.8193 12.8193 13.6163 13.6163 k =-0.1467 0.2918 0.9272 ( 3095 PWs) bands (ev): -17.3273 -17.3273 -4.3233 -4.3233 -2.7371 -2.7371 -2.2158 -2.2158 -0.6901 -0.6901 -0.4808 -0.4808 5.3251 5.3251 5.6107 5.6107 6.4786 6.4786 6.9494 6.9494 6.9987 6.9987 7.7721 7.7721 8.0480 8.0480 8.1876 8.1876 8.2711 8.2711 8.6029 8.6029 8.7169 8.7169 8.8859 8.8859 9.1718 9.1718 9.5005 9.5005 9.7949 9.7949 10.3355 10.3355 12.7331 12.7331 13.5679 13.5679 k =-0.1531 0.3046 0.9129 ( 3097 PWs) bands (ev): -17.3290 -17.3290 -4.3264 -4.3264 -2.7476 -2.7476 -2.2091 -2.2091 -0.6601 -0.6601 -0.4941 -0.4941 5.3038 5.3038 5.6619 5.6619 6.5014 6.5014 6.9409 6.9409 6.9990 6.9990 7.7514 7.7514 8.0593 8.0593 8.1854 8.1854 8.2783 8.2783 8.6038 8.6038 8.7108 8.7108 8.8845 8.8845 9.1826 9.1826 9.5526 9.5526 9.8192 9.8192 10.3863 10.3863 12.6469 12.6469 13.5194 13.5194 k =-0.1596 0.3173 0.8986 ( 3095 PWs) bands (ev): -17.3307 -17.3307 -4.3298 -4.3298 -2.7579 -2.7579 -2.2015 -2.2015 -0.6333 -0.6333 -0.5045 -0.5045 5.2824 5.2824 5.7126 5.7126 6.5212 6.5212 6.9278 6.9278 7.0064 7.0064 7.7314 7.7314 8.0711 8.0711 8.1835 8.1835 8.2862 8.2862 8.6050 8.6050 8.7044 8.7044 8.8838 8.8838 9.1935 9.1935 9.6082 9.6082 9.8439 9.8439 10.4381 10.4381 12.5620 12.5620 13.4712 13.4712 k =-0.1660 0.3301 0.8843 ( 3097 PWs) bands (ev): -17.3324 -17.3324 -4.3334 -4.3334 -2.7679 -2.7679 -2.1931 -2.1931 -0.6122 -0.6122 -0.5096 -0.5096 5.2610 5.2610 5.7624 5.7624 6.5380 6.5380 6.9149 6.9149 7.0162 7.0162 7.7124 7.7124 8.0833 8.0833 8.1820 8.1820 8.2946 8.2946 8.6060 8.6060 8.6976 8.6976 8.8838 8.8838 9.2047 9.2047 9.6675 9.6675 9.8685 9.8685 10.4909 10.4909 12.4794 12.4794 13.4244 13.4244 k =-0.1724 0.3429 0.8700 ( 3097 PWs) bands (ev): -17.3341 -17.3341 -4.3373 -4.3373 -2.7777 -2.7777 -2.1839 -2.1839 -0.6007 -0.6007 -0.5058 -0.5058 5.2396 5.2396 5.8109 5.8109 6.5517 6.5517 6.9039 6.9039 7.0267 7.0267 7.6946 7.6946 8.0958 8.0958 8.1811 8.1811 8.3034 8.3034 8.6067 8.6067 8.6905 8.6905 8.8844 8.8844 9.2164 9.2164 9.7303 9.7303 9.8923 9.8923 10.5444 10.5444 12.3999 12.3999 13.3801 13.3801 k =-0.1788 0.3557 0.8557 ( 3099 PWs) bands (ev): -17.3357 -17.3357 -4.3412 -4.3412 -2.7870 -2.7870 -2.1741 -2.1741 -0.5997 -0.5997 -0.4920 -0.4920 5.2184 5.2184 5.8578 5.8578 6.5626 6.5626 6.8952 6.8952 7.0373 7.0373 7.6781 7.6781 8.1081 8.1081 8.1810 8.1810 8.3125 8.3125 8.6071 8.6071 8.6828 8.6828 8.8855 8.8855 9.2288 9.2288 9.7963 9.7963 9.9151 9.9151 10.5987 10.5987 12.3240 12.3240 13.3394 13.3394 k =-0.1852 0.3684 0.8414 ( 3095 PWs) bands (ev): -17.3373 -17.3373 -4.3453 -4.3453 -2.7960 -2.7960 -2.1638 -2.1638 -0.6054 -0.6054 -0.4721 -0.4721 5.1973 5.1973 5.9029 5.9029 6.5712 6.5712 6.8888 6.8888 7.0477 7.0477 7.6630 7.6630 8.1199 8.1199 8.1822 8.1822 8.3217 8.3217 8.6069 8.6069 8.6748 8.6748 8.8873 8.8873 9.2420 9.2420 9.8634 9.8634 9.9383 9.9383 10.6533 10.6533 12.2520 12.2520 13.3037 13.3037 k =-0.1917 0.3812 0.8271 ( 3099 PWs) bands (ev): -17.3389 -17.3389 -4.3495 -4.3495 -2.8045 -2.8045 -2.1532 -2.1532 -0.6143 -0.6143 -0.4499 -0.4499 5.1764 5.1764 5.9457 5.9457 6.5781 6.5781 6.8843 6.8843 7.0578 7.0578 7.6493 7.6493 8.1304 8.1304 8.1851 8.1851 8.3310 8.3310 8.6062 8.6062 8.6663 8.6663 8.8895 8.8895 9.2564 9.2564 9.9197 9.9197 9.9730 9.9730 10.7082 10.7082 12.1844 12.1844 13.2741 13.2741 k =-0.1981 0.3940 0.8128 ( 3096 PWs) bands (ev): -17.3403 -17.3403 -4.3536 -4.3536 -2.8126 -2.8126 -2.1424 -2.1424 -0.6242 -0.6242 -0.4273 -0.4273 5.1559 5.1559 5.9861 5.9861 6.5837 6.5837 6.8811 6.8811 7.0675 7.0675 7.6369 7.6369 8.1390 8.1390 8.1905 8.1905 8.3402 8.3402 8.6049 8.6049 8.6575 8.6575 8.8920 8.8920 9.2722 9.2722 9.9454 9.9454 10.0384 10.0384 10.7630 10.7630 12.1212 12.1212 13.2520 13.2520 k =-0.2045 0.4068 0.7985 ( 3094 PWs) bands (ev): -17.3418 -17.3418 -4.3577 -4.3577 -2.8201 -2.8201 -2.1316 -2.1316 -0.6343 -0.6343 -0.4053 -0.4053 5.1359 5.1359 6.0238 6.0238 6.5886 6.5886 6.8788 6.8788 7.0769 7.0769 7.6259 7.6259 8.1451 8.1451 8.1985 8.1985 8.3494 8.3494 8.6031 8.6031 8.6483 8.6483 8.8950 8.8950 9.2895 9.2895 9.9555 9.9555 10.1185 10.1185 10.8174 10.8174 12.0624 12.0624 13.2382 13.2382 k =-0.2109 0.4195 0.7842 ( 3092 PWs) bands (ev): -17.3431 -17.3431 -4.3617 -4.3617 -2.8272 -2.8272 -2.1209 -2.1209 -0.6442 -0.6442 -0.3845 -0.3845 5.1165 5.1165 6.0587 6.0587 6.5934 6.5934 6.8768 6.8768 7.0860 7.0860 7.6163 7.6163 8.1491 8.1491 8.2088 8.2088 8.3584 8.3584 8.6008 8.6008 8.6389 8.6389 8.8981 8.8981 9.3084 9.3084 9.9583 9.9583 10.2045 10.2045 10.8709 10.8709 12.0081 12.0081 13.2336 13.2336 k =-0.2174 0.4323 0.7699 ( 3088 PWs) bands (ev): -17.3444 -17.3444 -4.3656 -4.3656 -2.8336 -2.8336 -2.1105 -2.1105 -0.6535 -0.6535 -0.3650 -0.3650 5.0979 5.0979 6.0907 6.0907 6.5983 6.5983 6.8749 6.8749 7.0947 7.0947 7.6078 7.6078 8.1516 8.1516 8.2205 8.2205 8.3672 8.3672 8.5979 8.5979 8.6293 8.6293 8.9014 8.9014 9.3292 9.3292 9.9552 9.9552 10.2944 10.2944 10.9231 10.9231 11.9583 11.9583 13.2386 13.2386 k =-0.2238 0.4451 0.7556 ( 3089 PWs) bands (ev): -17.3456 -17.3456 -4.3693 -4.3693 -2.8396 -2.8396 -2.1006 -2.1006 -0.6622 -0.6622 -0.3470 -0.3470 5.0803 5.0803 6.1196 6.1196 6.6035 6.6035 6.8728 6.8728 7.1030 7.1030 7.6003 7.6003 8.1533 8.1533 8.2327 8.2327 8.3759 8.3759 8.5943 8.5943 8.6197 8.6197 8.9047 8.9047 9.3519 9.3519 9.9465 9.9465 10.3873 10.3873 10.9732 10.9732 11.9129 11.9129 13.2535 13.2535 k =-0.2302 0.4579 0.7413 ( 3093 PWs) bands (ev): -17.3466 -17.3466 -4.3727 -4.3727 -2.8449 -2.8449 -2.0912 -2.0912 -0.6702 -0.6702 -0.3307 -0.3307 5.0638 5.0638 6.1453 6.1453 6.6091 6.6091 6.8703 6.8703 7.1110 7.1110 7.5937 7.5937 8.1544 8.1544 8.2449 8.2449 8.3845 8.3845 8.5900 8.5900 8.6106 8.6106 8.9079 8.9079 9.3765 9.3765 9.9327 9.9327 10.4822 10.4822 11.0207 11.0207 11.8719 11.8719 13.2771 13.2771 k =-0.2366 0.4706 0.7270 ( 3093 PWs) bands (ev): -17.3476 -17.3476 -4.3758 -4.3758 -2.8497 -2.8497 -2.0826 -2.0826 -0.6773 -0.6773 -0.3162 -0.3162 5.0487 5.0487 6.1679 6.1679 6.6152 6.6152 6.8674 6.8674 7.1185 7.1185 7.5880 7.5880 8.1553 8.1553 8.2566 8.2566 8.3929 8.3929 8.5844 8.5844 8.6026 8.6026 8.9110 8.9110 9.4029 9.4029 9.9142 9.9142 10.5782 10.5782 11.0646 11.0646 11.8354 11.8354 13.2079 13.2079 k =-0.2431 0.4834 0.7127 ( 3089 PWs) bands (ev): -17.3484 -17.3484 -4.3786 -4.3786 -2.8538 -2.8538 -2.0748 -2.0748 -0.6835 -0.6835 -0.3035 -0.3035 5.0351 5.0351 6.1874 6.1874 6.6214 6.6214 6.8641 6.8641 7.1253 7.1253 7.5832 7.5832 8.1560 8.1560 8.2674 8.2674 8.4013 8.4013 8.5771 8.5771 8.5964 8.5964 8.9139 8.9139 9.4309 9.4309 9.8918 9.8918 10.6737 10.6737 11.1041 11.1041 11.8034 11.8034 13.0699 13.0699 k =-0.2495 0.4962 0.6984 ( 3083 PWs) bands (ev): -17.3491 -17.3491 -4.3811 -4.3811 -2.8573 -2.8573 -2.0681 -2.0681 -0.6888 -0.6888 -0.2927 -0.2927 5.0233 5.0233 6.2037 6.2037 6.6276 6.6276 6.8606 6.8606 7.1315 7.1315 7.5790 7.5790 8.1566 8.1566 8.2770 8.2770 8.4096 8.4096 8.5685 8.5685 8.5919 8.5919 8.9164 8.9164 9.4601 9.4601 9.8664 9.8664 10.7668 10.7668 11.1379 11.1379 11.7761 11.7761 12.9413 12.9413 k =-0.2559 0.5090 0.6841 ( 3081 PWs) bands (ev): -17.3497 -17.3497 -4.3831 -4.3831 -2.8602 -2.8602 -2.0624 -2.0624 -0.6932 -0.6932 -0.2838 -0.2838 5.0134 5.0134 6.2170 6.2170 6.6335 6.6335 6.8572 6.8572 7.1368 7.1368 7.5756 7.5756 8.1572 8.1572 8.2852 8.2852 8.4176 8.4176 8.5594 8.5594 8.5886 8.5886 8.9187 8.9187 9.4898 9.4898 9.8389 9.8389 10.8549 10.8549 11.1649 11.1649 11.7535 11.7535 12.8259 12.8259 k =-0.2623 0.5217 0.6698 ( 3081 PWs) bands (ev): -17.3502 -17.3502 -4.3847 -4.3847 -2.8625 -2.8625 -2.0579 -2.0579 -0.6966 -0.6966 -0.2769 -0.2769 5.0055 5.0055 6.2272 6.2272 6.6386 6.6386 6.8540 6.8540 7.1412 7.1412 7.5729 7.5729 8.1576 8.1576 8.2917 8.2917 8.4249 8.4249 8.5509 8.5509 8.5862 8.5862 8.9205 8.9205 9.5189 9.5189 9.8111 9.8111 10.9345 10.9345 11.1839 11.1839 11.7358 11.7358 12.7278 12.7278 k =-0.2688 0.5345 0.6555 ( 3082 PWs) bands (ev): -17.3505 -17.3505 -4.3859 -4.3859 -2.8641 -2.8641 -2.0546 -2.0546 -0.6991 -0.6991 -0.2719 -0.2719 4.9998 4.9998 6.2345 6.2345 6.6426 6.6426 6.8514 6.8514 7.1443 7.1443 7.5710 7.5710 8.1579 8.1579 8.2963 8.2963 8.4311 8.4311 8.5437 8.5437 8.5845 8.5845 8.9218 8.9218 9.5452 9.5452 9.7855 9.7855 11.0009 11.0009 11.1941 11.1941 11.7232 11.7232 12.6520 12.6520 k =-0.2752 0.5473 0.6412 ( 3086 PWs) bands (ev): -17.3507 -17.3507 -4.3866 -4.3866 -2.8651 -2.8651 -2.0526 -2.0526 -0.7006 -0.7006 -0.2689 -0.2689 4.9963 4.9963 6.2389 6.2389 6.6451 6.6451 6.8497 6.8497 7.1462 7.1462 7.5699 7.5699 8.1581 8.1581 8.2991 8.2991 8.4354 8.4354 8.5388 8.5388 8.5834 8.5834 8.9226 8.9226 9.5649 9.5649 9.7660 9.7660 11.0472 11.0472 11.1966 11.1966 11.7156 11.7156 12.6037 12.6037 k =-0.2816 0.5601 0.6269 ( 3080 PWs) bands (ev): -17.3508 -17.3508 -4.3868 -4.3868 -2.8654 -2.8654 -2.0519 -2.0519 -0.7010 -0.7010 -0.2679 -0.2679 4.9951 4.9951 6.2404 6.2404 6.6461 6.6461 6.8492 6.8492 7.1468 7.1468 7.5695 7.5695 8.1582 8.1582 8.3001 8.3001 8.4369 8.4369 8.5372 8.5372 8.5831 8.5831 8.9229 8.9229 9.5727 9.5727 9.7584 9.7584 11.0645 11.0645 11.1962 11.1962 11.7130 11.7130 12.5870 12.5870 k =-0.2816 0.5601 0.6269 ( 3080 PWs) bands (ev): -17.3508 -17.3508 -4.3868 -4.3868 -2.8654 -2.8654 -2.0519 -2.0519 -0.7010 -0.7010 -0.2679 -0.2679 4.9951 4.9951 6.2404 6.2404 6.6461 6.6461 6.8492 6.8492 7.1468 7.1468 7.5695 7.5695 8.1582 8.1582 8.3001 8.3001 8.4369 8.4369 8.5372 8.5372 8.5831 8.5831 8.9229 8.9229 9.5727 9.5727 9.7584 9.7584 11.0645 11.0645 11.1962 11.1962 11.7130 11.7130 12.5870 12.5870 k =-0.2751 0.5470 0.6123 ( 3088 PWs) bands (ev): -17.3501 -17.3501 -4.3922 -4.3922 -2.8667 -2.8667 -2.0411 -2.0411 -0.6953 -0.6953 -0.2743 -0.2743 4.9802 4.9802 6.2481 6.2481 6.6214 6.6214 6.8359 6.8359 7.1596 7.1596 7.5742 7.5742 8.1774 8.1774 8.3062 8.3062 8.4250 8.4250 8.5203 8.5203 8.5707 8.5707 8.9015 8.9015 9.5473 9.5473 9.7607 9.7607 11.0210 11.0210 11.2295 11.2295 11.7722 11.7722 12.5786 12.5786 k =-0.2685 0.5340 0.5977 ( 3092 PWs) bands (ev): -17.3496 -17.3496 -4.3965 -4.3965 -2.8676 -2.8676 -2.0316 -2.0316 -0.6876 -0.6876 -0.2842 -0.2842 4.9701 4.9701 6.2572 6.2572 6.5935 6.5935 6.8240 6.8240 7.1721 7.1721 7.5779 7.5779 8.1954 8.1954 8.3133 8.3133 8.4132 8.4132 8.5059 8.5059 8.5600 8.5600 8.8813 8.8813 9.5227 9.5227 9.7644 9.7644 10.9740 10.9740 11.2645 11.2645 11.8358 11.8358 12.5761 12.5761 k =-0.2620 0.5210 0.5831 ( 3088 PWs) bands (ev): -17.3493 -17.3493 -4.3996 -4.3996 -2.8682 -2.8682 -2.0234 -2.0234 -0.6777 -0.6777 -0.2975 -0.2975 4.9647 4.9647 6.2676 6.2676 6.5625 6.5625 6.8136 6.8136 7.1846 7.1846 7.5806 7.5806 8.2119 8.2119 8.3207 8.3207 8.4022 8.4022 8.4950 8.4950 8.5509 8.5509 8.8623 8.8623 9.4993 9.4993 9.7695 9.7695 10.9244 10.9244 11.3002 11.3002 11.9031 11.9031 12.5797 12.5797 k =-0.2554 0.5080 0.5686 ( 3084 PWs) bands (ev): -17.3491 -17.3491 -4.4015 -4.4015 -2.8685 -2.8685 -2.0167 -2.0167 -0.6657 -0.6657 -0.3141 -0.3141 4.9639 4.9639 6.2792 6.2792 6.5286 6.5286 6.8046 6.8046 7.1968 7.1968 7.5823 7.5823 8.2263 8.2263 8.3256 8.3256 8.3943 8.3943 8.4880 8.4880 8.5435 8.5435 8.8445 8.8445 9.4776 9.4776 9.7761 9.7761 10.8729 10.8729 11.3362 11.3362 11.9735 11.9735 12.5893 12.5893 k =-0.2489 0.4949 0.5540 ( 3084 PWs) bands (ev): -17.3491 -17.3491 -4.4022 -4.4022 -2.8685 -2.8685 -2.0115 -2.0115 -0.6515 -0.6515 -0.3340 -0.3340 4.9674 4.9674 6.2921 6.2921 6.4924 6.4924 6.7971 6.7971 7.2088 7.2088 7.5831 7.5831 8.2384 8.2384 8.3240 8.3240 8.3941 8.3941 8.4849 8.4849 8.5377 8.5377 8.8281 8.8281 9.4576 9.4576 9.7844 9.7844 10.8197 10.8197 11.3722 11.3722 12.0462 12.0462 12.6048 12.6048 k =-0.2423 0.4819 0.5394 ( 3094 PWs) bands (ev): -17.3492 -17.3492 -4.4016 -4.4016 -2.8682 -2.8682 -2.0080 -2.0080 -0.6352 -0.6352 -0.3570 -0.3570 4.9748 4.9748 6.3061 6.3061 6.4544 6.4544 6.7909 6.7909 7.2206 7.2206 7.5829 7.5829 8.2476 8.2476 8.3151 8.3151 8.4030 8.4030 8.4850 8.4850 8.5334 8.5334 8.8130 8.8130 9.4395 9.4395 9.7943 9.7943 10.7654 10.7654 11.4082 11.4082 12.1206 12.1206 12.6261 12.6261 k =-0.2358 0.4689 0.5248 ( 3090 PWs) bands (ev): -17.3495 -17.3495 -4.3998 -4.3998 -2.8676 -2.8676 -2.0060 -2.0060 -0.6167 -0.6167 -0.3829 -0.3829 4.9858 4.9858 6.3209 6.3209 6.4153 6.4153 6.7862 6.7862 7.2321 7.2321 7.5819 7.5819 8.2520 8.2520 8.3041 8.3041 8.4182 8.4182 8.4882 8.4882 8.5309 8.5309 8.7996 8.7996 9.4236 9.4236 9.8060 9.8060 10.7102 10.7102 11.4440 11.4440 12.1961 12.1961 12.6530 12.6530 k =-0.2292 0.4559 0.5102 ( 3094 PWs) bands (ev): -17.3499 -17.3499 -4.3966 -4.3966 -2.8667 -2.8667 -2.0056 -2.0056 -0.5963 -0.5963 -0.4116 -0.4116 4.9997 4.9997 6.3349 6.3349 6.3777 6.3777 6.7828 6.7828 7.2433 7.2433 7.5800 7.5800 8.2479 8.2479 8.2980 8.2980 8.4368 8.4368 8.4934 8.4934 8.5302 8.5302 8.7878 8.7878 9.4098 9.4098 9.8195 9.8195 10.6545 10.6545 11.4796 11.4796 12.2717 12.2717 12.6852 12.6852 k =-0.2227 0.4428 0.4957 ( 3090 PWs) bands (ev): -17.3505 -17.3505 -4.3923 -4.3923 -2.8654 -2.8654 -2.0068 -2.0068 -0.5742 -0.5742 -0.4426 -0.4426 5.0160 5.0160 6.3266 6.3266 6.3636 6.3636 6.7808 6.7808 7.2543 7.2543 7.5773 7.5773 8.2343 8.2343 8.2994 8.2994 8.4571 8.4571 8.5002 8.5002 8.5317 8.5317 8.7778 8.7778 9.3983 9.3983 9.8350 9.8350 10.5985 10.5985 11.5151 11.5151 12.3466 12.3466 12.7223 12.7223 k =-0.2161 0.4298 0.4811 ( 3088 PWs) bands (ev): -17.3513 -17.3513 -4.3867 -4.3867 -2.8637 -2.8637 -2.0094 -2.0094 -0.5514 -0.5514 -0.4751 -0.4751 5.0338 5.0338 6.2910 6.2910 6.3792 6.3792 6.7799 6.7799 7.2650 7.2650 7.5737 7.5737 8.2156 8.2156 8.3050 8.3050 8.4781 8.4781 8.5078 8.5078 8.5359 8.5359 8.7697 8.7697 9.3890 9.3890 9.8525 9.8525 10.5426 10.5426 11.5507 11.5507 12.4195 12.4195 12.7638 12.7638 k =-0.2096 0.4168 0.4665 ( 3088 PWs) bands (ev): -17.3522 -17.3522 -4.3800 -4.3800 -2.8615 -2.8615 -2.0133 -2.0133 -0.5352 -0.5352 -0.5015 -0.5015 5.0522 5.0522 6.2544 6.2544 6.3991 6.3991 6.7804 6.7804 7.2754 7.2754 7.5694 7.5694 8.1946 8.1946 8.3123 8.3123 8.4978 8.4978 8.5167 8.5167 8.5430 8.5430 8.7635 8.7635 9.3821 9.3821 9.8720 9.8720 10.4869 10.4869 11.5864 11.5864 12.4888 12.4888 12.8095 12.8095 k =-0.2030 0.4038 0.4519 ( 3102 PWs) bands (ev): -17.3532 -17.3532 -4.3722 -4.3722 -2.8588 -2.8588 -2.0184 -2.0184 -0.5582 -0.5582 -0.4895 -0.4895 5.0701 5.0701 6.2203 6.2203 6.4207 6.4207 6.7819 6.7819 7.2854 7.2854 7.5643 7.5643 8.1727 8.1727 8.3202 8.3202 8.5114 8.5114 8.5310 8.5310 8.5530 8.5530 8.7594 8.7594 9.3775 9.3775 9.8935 9.8935 10.4316 10.4316 11.6225 11.6225 12.5525 12.5525 12.8586 12.8586 k =-0.1965 0.3907 0.4374 ( 3102 PWs) bands (ev): -17.3544 -17.3544 -4.3634 -4.3634 -2.8555 -2.8555 -2.0247 -2.0247 -0.5965 -0.5965 -0.4628 -0.4628 5.0864 5.0864 6.1904 6.1904 6.4439 6.4439 6.7846 6.7846 7.2951 7.2951 7.5585 7.5585 8.1505 8.1505 8.3286 8.3286 8.5190 8.5190 8.5506 8.5506 8.5660 8.5660 8.7575 8.7575 9.3754 9.3754 9.9172 9.9172 10.3771 10.3771 11.6591 11.6591 12.6080 12.6080 12.9108 12.9108 k =-0.1899 0.3777 0.4228 ( 3096 PWs) bands (ev): -17.3557 -17.3557 -4.3537 -4.3537 -2.8515 -2.8515 -2.0319 -2.0319 -0.6380 -0.6380 -0.4336 -0.4336 5.0997 5.0997 6.1661 6.1661 6.4686 6.4686 6.7884 6.7884 7.3044 7.3044 7.5522 7.5522 8.1282 8.1282 8.3372 8.3372 8.5249 8.5249 8.5696 8.5696 8.5824 8.5824 8.7579 8.7579 9.3758 9.3758 9.9431 9.9431 10.3233 10.3233 11.6965 11.6965 12.6516 12.6516 12.9653 12.9653 k =-0.1834 0.3647 0.4082 ( 3096 PWs) bands (ev): -17.3571 -17.3571 -4.3431 -4.3431 -2.8467 -2.8467 -2.0399 -2.0399 -0.6814 -0.6814 -0.4032 -0.4032 5.1089 5.1089 6.1484 6.1484 6.4948 6.4948 6.7930 6.7930 7.3134 7.3134 7.5451 7.5451 8.1061 8.1061 8.3458 8.3458 8.5302 8.5302 8.5863 8.5863 8.6026 8.6026 8.7606 8.7606 9.3787 9.3787 9.9711 9.9711 10.2706 10.2706 11.7347 11.7347 12.6793 12.6793 13.0217 13.0217 k =-0.1768 0.3517 0.3936 ( 3102 PWs) bands (ev): -17.3586 -17.3586 -4.3318 -4.3318 -2.8411 -2.8411 -2.0487 -2.0487 -0.7263 -0.7263 -0.3720 -0.3720 5.1127 5.1127 6.1386 6.1386 6.5224 6.5224 6.7986 6.7986 7.3220 7.3220 7.5375 7.5375 8.0841 8.0841 8.3543 8.3543 8.5353 8.5353 8.6019 8.6019 8.6245 8.6245 8.7655 8.7655 9.3843 9.3843 10.0011 10.0011 10.2190 10.2190 11.7741 11.7741 12.6867 12.6867 13.0792 13.0792 k =-0.1703 0.3386 0.3790 ( 3104 PWs) bands (ev): -17.3602 -17.3602 -4.3198 -4.3198 -2.8344 -2.8344 -2.0580 -2.0580 -0.7724 -0.7724 -0.3403 -0.3403 5.1104 5.1104 6.1373 6.1373 6.5516 6.5516 6.8050 6.8050 7.3302 7.3302 7.5294 7.5294 8.0624 8.0624 8.3625 8.3625 8.5402 8.5402 8.6177 8.6177 8.6467 8.6467 8.7728 8.7728 9.3926 9.3926 10.0331 10.0331 10.1689 10.1689 11.8146 11.8146 12.6711 12.6711 13.1374 13.1374 k =-0.1637 0.3256 0.3645 ( 3112 PWs) bands (ev): -17.3619 -17.3619 -4.3073 -4.3073 -2.8268 -2.8268 -2.0678 -2.0678 -0.8196 -0.8196 -0.3083 -0.3083 5.1015 5.1015 6.1449 6.1449 6.5822 6.5822 6.8121 6.8121 7.3380 7.3380 7.5208 7.5208 8.0411 8.0411 8.3703 8.3703 8.5448 8.5448 8.6338 8.6338 8.6687 8.6687 8.7823 8.7823 9.4037 9.4037 10.0658 10.0658 10.1214 10.1214 11.8565 11.8565 12.6321 12.6321 13.1955 13.1955 k =-0.1572 0.3126 0.3499 ( 3112 PWs) bands (ev): -17.3637 -17.3637 -4.2945 -4.2945 -2.8180 -2.8180 -2.0778 -2.0778 -0.8677 -0.8677 -0.2763 -0.2763 5.0862 5.0862 6.1610 6.1610 6.6143 6.6143 6.8199 6.8199 7.3454 7.3454 7.5119 7.5119 8.0202 8.0202 8.3777 8.3777 8.5491 8.5491 8.6505 8.6505 8.6904 8.6904 8.7939 8.7939 9.4177 9.4177 10.0665 10.0665 10.1095 10.1095 11.8997 11.8997 12.5725 12.5725 13.2531 13.2531 k =-0.1506 0.2996 0.3353 ( 3108 PWs) bands (ev): -17.3655 -17.3655 -4.2813 -4.2813 -2.8079 -2.8079 -2.0881 -2.0881 -0.9166 -0.9166 -0.2445 -0.2445 5.0649 5.0649 6.1851 6.1851 6.6477 6.6477 6.8284 6.8284 7.3524 7.3524 7.5027 7.5027 7.9998 7.9998 8.3845 8.3845 8.5529 8.5529 8.6679 8.6679 8.7117 8.7117 8.8074 8.8074 9.4347 9.4347 10.0229 10.0229 10.1455 10.1455 11.9443 11.9443 12.4967 12.4967 13.3096 13.3096 k =-0.1441 0.2865 0.3207 ( 3112 PWs) bands (ev): -17.3674 -17.3674 -4.2681 -4.2681 -2.7965 -2.7965 -2.0985 -2.0985 -0.9661 -0.9661 -0.2130 -0.2130 5.0385 5.0385 6.2162 6.2162 6.6824 6.6824 6.8376 6.8376 7.3589 7.3589 7.4934 7.4934 7.9798 7.9798 8.3907 8.3907 8.5562 8.5562 8.6859 8.6859 8.7324 8.7324 8.8224 8.8224 9.4547 9.4547 9.9785 9.9785 10.1856 10.1856 11.9901 11.9901 12.4094 12.4094 13.3643 13.3643 k =-0.1375 0.2735 0.3061 ( 3112 PWs) bands (ev): -17.3693 -17.3693 -4.2548 -4.2548 -2.7837 -2.7837 -2.1088 -2.1088 -1.0160 -1.0160 -0.1820 -0.1820 5.0078 5.0078 6.2531 6.2531 6.7182 6.7182 6.8475 6.8475 7.3650 7.3650 7.4839 7.4839 7.9603 7.9603 8.3964 8.3964 8.5588 8.5588 8.7046 8.7046 8.7526 8.7526 8.8386 8.8386 9.4779 9.4779 9.9355 9.9355 10.2278 10.2278 12.0370 12.0370 12.3149 12.3149 13.4168 13.4168 k =-0.1310 0.2605 0.2916 ( 3114 PWs) bands (ev): -17.3712 -17.3712 -4.2415 -4.2415 -2.7694 -2.7694 -2.1190 -2.1190 -1.0664 -1.0664 -0.1516 -0.1516 4.9738 4.9738 6.2945 6.2945 6.7547 6.7547 6.8583 6.8583 7.3706 7.3706 7.4745 7.4745 7.9414 7.9414 8.4014 8.4014 8.5609 8.5609 8.7238 8.7238 8.7722 8.7722 8.8559 8.8559 9.5042 9.5042 9.8940 9.8940 10.2718 10.2718 12.0836 12.0836 12.2177 12.2177 13.4664 13.4664 k =-0.1244 0.2475 0.2770 ( 3114 PWs) bands (ev): -17.3732 -17.3732 -4.2286 -4.2286 -2.7536 -2.7536 -2.1290 -2.1290 -1.1170 -1.1170 -0.1220 -0.1220 4.9375 4.9375 6.3395 6.3395 6.7909 6.7909 6.8707 6.8707 7.3758 7.3758 7.4653 7.4653 7.9231 7.9231 8.4060 8.4060 8.5623 8.5623 8.7434 8.7434 8.7914 8.7914 8.8739 8.8739 9.5337 9.5337 9.8542 9.8542 10.3175 10.3175 12.0984 12.0984 12.1516 12.1516 13.5124 13.5124 k =-0.1179 0.2344 0.2624 ( 3122 PWs) bands (ev): -17.3751 -17.3751 -4.2159 -4.2159 -2.7362 -2.7362 -2.1387 -2.1387 -1.1678 -1.1678 -0.0934 -0.0934 4.8997 4.8997 6.3869 6.3869 6.8251 6.8251 6.8864 6.8864 7.3803 7.3803 7.4563 7.4563 7.9053 7.9053 8.4100 8.4100 8.5630 8.5630 8.7633 8.7633 8.8100 8.8100 8.8922 8.8922 9.5663 9.5663 9.8164 9.8164 10.3645 10.3645 12.0081 12.0081 12.1916 12.1916 13.5543 13.5543 k =-0.1113 0.2214 0.2478 ( 3118 PWs) bands (ev): -17.3770 -17.3770 -4.2036 -4.2036 -2.7172 -2.7172 -2.1480 -2.1480 -1.2187 -1.2187 -0.0658 -0.0658 4.8611 4.8611 6.4358 6.4358 6.8533 6.8533 6.9089 6.9089 7.3842 7.3842 7.4479 7.4479 7.8883 7.8883 8.4136 8.4136 8.5631 8.5631 8.7834 8.7834 8.8282 8.8282 8.9107 8.9107 9.6016 9.6016 9.7810 9.7810 10.4126 10.4126 11.9099 11.9099 12.2418 12.2418 13.5910 13.5910 k =-0.1048 0.2084 0.2333 ( 3104 PWs) bands (ev): -17.3789 -17.3789 -4.1919 -4.1919 -2.6967 -2.6967 -2.1568 -2.1568 -1.2696 -1.2696 -0.0393 -0.0393 4.8223 4.8223 6.4853 6.4853 6.8732 6.8732 6.9403 6.9403 7.3873 7.3873 7.4402 7.4402 7.8719 7.8719 8.4169 8.4169 8.5627 8.5627 8.8036 8.8036 8.8460 8.8460 8.9293 8.9293 9.6378 9.6378 9.7497 9.7497 10.4616 10.4616 11.8135 11.8135 12.2932 12.2932 13.6216 13.6216 k =-0.0982 0.1954 0.2187 ( 3092 PWs) bands (ev): -17.3808 -17.3808 -4.1807 -4.1807 -2.6746 -2.6746 -2.1650 -2.1650 -1.3204 -1.3204 -0.0141 -0.0141 4.7838 4.7838 6.5346 6.5346 6.8877 6.8877 6.9775 6.9775 7.3892 7.3892 7.4338 7.4338 7.8564 7.8564 8.4199 8.4199 8.5617 8.5617 8.8234 8.8234 8.8634 8.8634 8.9477 8.9477 9.6660 9.6660 9.7313 9.7313 10.5113 10.5113 11.7204 11.7204 12.3450 12.3450 13.6448 13.6448 k =-0.0917 0.1823 0.2041 ( 3092 PWs) bands (ev): -17.3826 -17.3826 -4.1702 -4.1702 -2.6511 -2.6511 -2.1724 -2.1724 -1.3711 -1.3711 0.0098 0.0098 4.7462 4.7462 6.5831 6.5831 6.8996 6.8996 7.0171 7.0171 7.3896 7.3896 7.4290 7.4290 7.8414 7.8414 8.4226 8.4226 8.5601 8.5601 8.8427 8.8427 8.8803 8.8803 8.9656 8.9656 9.6607 9.6607 9.7512 9.7512 10.5611 10.5611 11.6314 11.6314 12.3965 12.3965 13.6588 13.6588 k =-0.0851 0.1693 0.1895 ( 3084 PWs) bands (ev): -17.3843 -17.3843 -4.1603 -4.1603 -2.6262 -2.6262 -2.1791 -2.1791 -1.4216 -1.4216 0.0323 0.0323 4.7098 4.7098 6.6301 6.6301 6.9103 6.9103 7.0574 7.0574 7.3881 7.3881 7.4263 7.4263 7.8273 7.8273 8.4251 8.4251 8.5579 8.5579 8.8615 8.8615 8.8967 8.8967 8.9831 8.9831 9.6366 9.6366 9.7943 9.7943 10.6108 10.6108 11.5473 11.5473 12.4474 12.4474 13.6615 13.6615 k =-0.0786 0.1563 0.1749 ( 3084 PWs) bands (ev): -17.3860 -17.3860 -4.1512 -4.1512 -2.6002 -2.6002 -2.1847 -2.1847 -1.4719 -1.4719 0.0533 0.0533 4.6749 4.6749 6.6751 6.6751 6.9201 6.9201 7.0975 7.0975 7.3847 7.3847 7.4258 7.4258 7.8141 7.8141 8.4275 8.4275 8.5552 8.5552 8.8794 8.8794 8.9125 8.9125 9.0002 9.0002 9.6100 9.6100 9.8438 9.8438 10.6599 10.6599 11.4687 11.4687 12.4971 12.4971 13.6505 13.6505 k =-0.0720 0.1433 0.1604 ( 3080 PWs) bands (ev): -17.3876 -17.3876 -4.1428 -4.1428 -2.5732 -2.5732 -2.1890 -2.1890 -1.5218 -1.5218 0.0728 0.0728 4.6418 4.6418 6.7177 6.7177 6.9295 6.9295 7.1366 7.1366 7.3803 7.3803 7.4269 7.4269 7.8018 7.8018 8.4298 8.4298 8.5521 8.5521 8.8963 8.8963 8.9279 8.9279 9.0167 9.0167 9.5839 9.5839 9.8963 9.8963 10.7079 10.7079 11.3959 11.3959 12.5452 12.5452 13.5799 13.5799 k =-0.0655 0.1302 0.1458 ( 3080 PWs) bands (ev): -17.3890 -17.3890 -4.1352 -4.1352 -2.5456 -2.5456 -2.1920 -2.1920 -1.5714 -1.5714 0.0907 0.0907 4.6108 4.6108 6.7573 6.7573 6.9386 6.9386 7.1741 7.1741 7.3753 7.3753 7.4291 7.4291 7.7903 7.7903 8.4321 8.4321 8.5485 8.5485 8.9120 8.9120 8.9426 8.9426 9.0326 9.0326 9.5590 9.5590 9.9504 9.9504 10.7542 10.7542 11.3295 11.3295 12.5911 12.5911 13.4958 13.4958 k =-0.0589 0.1172 0.1312 ( 3072 PWs) bands (ev): -17.3904 -17.3904 -4.1284 -4.1284 -2.5178 -2.5178 -2.1930 -2.1930 -1.6204 -1.6204 0.1070 0.1070 4.5821 4.5821 6.7935 6.7935 6.9472 6.9472 7.2093 7.2093 7.3703 7.3703 7.4323 7.4323 7.7798 7.7798 8.4345 8.4345 8.5445 8.5445 8.9263 8.9263 8.9568 8.9568 9.0479 9.0479 9.5357 9.5357 10.0050 10.0050 10.7981 10.7981 11.2699 11.2699 12.6343 12.6343 13.4094 13.4094 k =-0.0524 0.1042 0.1166 ( 3072 PWs) bands (ev): -17.3916 -17.3916 -4.1224 -4.1224 -2.4904 -2.4904 -2.1918 -2.1918 -1.6689 -1.6689 0.1217 0.1217 4.5559 4.5559 6.8261 6.8261 6.9556 6.9556 7.2416 7.2416 7.3656 7.3656 7.4363 7.4363 7.7703 7.7703 8.4369 8.4369 8.5402 8.5402 8.9392 8.9392 8.9702 8.9702 9.0624 9.0624 9.5141 9.5141 10.0590 10.0590 10.8389 10.8389 11.2177 11.2177 12.6745 12.6745 13.3230 13.3230 k =-0.0458 0.0912 0.1020 ( 3080 PWs) bands (ev): -17.3927 -17.3927 -4.1171 -4.1171 -2.4641 -2.4641 -2.1878 -2.1878 -1.7167 -1.7167 0.1347 0.1347 4.5325 4.5325 6.8546 6.8546 6.9639 6.9639 7.2701 7.2701 7.3613 7.3613 7.4410 7.4410 7.7617 7.7617 8.4393 8.4393 8.5357 8.5357 8.9504 8.9504 8.9826 8.9826 9.0759 9.0759 9.4941 9.4941 10.1113 10.1113 10.8754 10.8754 11.1736 11.1736 12.7110 12.7110 13.2391 13.2391 k =-0.0393 0.0781 0.0875 ( 3080 PWs) bands (ev): -17.3937 -17.3937 -4.1125 -4.1125 -2.4399 -2.4399 -2.1801 -2.1801 -1.7637 -1.7637 0.1460 0.1460 4.5118 4.5118 6.8786 6.8786 6.9722 6.9722 7.2944 7.2944 7.3578 7.3578 7.4467 7.4467 7.7543 7.7543 8.4419 8.4419 8.5310 8.5310 8.9602 8.9602 8.9939 8.9939 9.0884 9.0884 9.4762 9.4762 10.1604 10.1604 10.9065 10.9065 11.1383 11.1383 12.7436 12.7436 13.1598 13.1598 k =-0.0327 0.0651 0.0729 ( 3083 PWs) bands (ev): -17.3946 -17.3946 -4.1087 -4.1087 -2.4185 -2.4185 -2.1682 -2.1682 -1.8096 -1.8096 0.1556 0.1556 4.4941 4.4941 6.8980 6.8980 6.9803 6.9803 7.3136 7.3136 7.3553 7.3553 7.4530 7.4530 7.7479 7.7479 8.4445 8.4445 8.5264 8.5264 8.9684 8.9684 9.0040 9.0040 9.0997 9.0997 9.4606 9.4606 10.2049 10.2049 10.9304 10.9304 11.1129 11.1129 12.7718 12.7718 13.0874 13.0874 k =-0.0262 0.0521 0.0583 ( 3075 PWs) bands (ev): -17.3953 -17.3953 -4.1056 -4.1056 -2.4009 -2.4009 -2.1515 -2.1515 -1.8542 -1.8542 0.1635 0.1635 4.4795 4.4795 6.9129 6.9129 6.9882 6.9882 7.3273 7.3273 7.3545 7.3545 7.4598 7.4598 7.7428 7.7428 8.4470 8.4470 8.5221 8.5221 8.9752 8.9752 9.0126 9.0126 9.1096 9.1096 9.4472 9.4472 10.2436 10.2436 10.9458 10.9458 11.0981 11.0981 12.7955 12.7955 13.0240 13.0240 k =-0.0196 0.0391 0.0437 ( 3081 PWs) bands (ev): -17.3958 -17.3958 -4.1032 -4.1032 -2.3874 -2.3874 -2.1302 -2.1302 -1.8969 -1.8969 0.1696 0.1696 4.4680 4.4680 6.9237 6.9237 6.9952 6.9952 7.3348 7.3348 7.3560 7.3560 7.4663 7.4663 7.7386 7.7386 8.4494 8.4494 8.5183 8.5183 8.9803 8.9803 9.0195 9.0195 9.1175 9.1175 9.4365 9.4365 10.2751 10.2751 10.9530 10.9530 11.0928 11.0928 12.8144 12.8144 12.9717 12.9717 k =-0.0131 0.0260 0.0292 ( 3081 PWs) bands (ev): -17.3962 -17.3962 -4.1015 -4.1015 -2.3781 -2.3781 -2.1053 -2.1053 -1.9367 -1.9367 0.1740 0.1740 4.4598 4.4598 6.9310 6.9310 7.0009 7.0009 7.3377 7.3377 7.3591 7.3591 7.4717 7.4717 7.7357 7.7357 8.4513 8.4513 8.5152 8.5152 8.9840 8.9840 9.0246 9.0246 9.1235 9.1235 9.4286 9.4286 10.2984 10.2984 10.9547 10.9547 11.0934 11.0934 12.8285 12.8285 12.9323 12.9323 k =-0.0065 0.0130 0.0146 ( 3081 PWs) bands (ev): -17.3964 -17.3964 -4.1005 -4.1005 -2.3728 -2.3728 -2.0805 -2.0805 -1.9703 -1.9703 0.1767 0.1767 4.4548 4.4548 6.9351 6.9351 7.0046 7.0046 7.3383 7.3383 7.3616 7.3616 7.4753 7.4753 7.7339 7.7339 8.4526 8.4526 8.5132 8.5132 8.9862 8.9862 9.0277 9.0277 9.1272 9.1272 9.4237 9.4237 10.3127 10.3127 10.9543 10.9543 11.0956 11.0956 12.8377 12.8377 12.9073 12.9073 k = 0.0000 0.0000 0.0000 ( 3091 PWs) bands (ev): -17.3965 -17.3965 -4.1002 -4.1002 -2.3710 -2.3710 -2.0673 -2.0673 -1.9863 -1.9863 0.1775 0.1775 4.4532 4.4532 6.9364 6.9364 7.0059 7.0059 7.3382 7.3382 7.3626 7.3626 7.4766 7.4766 7.7333 7.7333 8.4531 8.4531 8.5123 8.5123 8.9869 8.9869 9.0287 9.0287 9.1284 9.1284 9.4219 9.4219 10.3175 10.3175 10.9540 10.9540 11.0966 11.0966 12.8410 12.8410 12.8985 12.8985 k = 0.0000 0.0000 0.0000 ( 3091 PWs) bands (ev): -17.3965 -17.3965 -4.1002 -4.1002 -2.3710 -2.3710 -2.0673 -2.0673 -1.9863 -1.9863 0.1775 0.1775 4.4532 4.4532 6.9364 6.9364 7.0059 7.0059 7.3382 7.3382 7.3626 7.3626 7.4766 7.4766 7.7333 7.7333 8.4531 8.4531 8.5123 8.5123 8.9869 8.9869 9.0287 9.0287 9.1284 9.1284 9.4219 9.4219 10.3175 10.3175 10.9540 10.9540 11.0966 11.0966 12.8410 12.8410 12.8985 12.8985 k = 0.0185 0.0093 0.0000 ( 3095 PWs) bands (ev): -17.3965 -17.3965 -4.1004 -4.1004 -2.3740 -2.3740 -2.0632 -2.0632 -1.9863 -1.9863 0.1755 0.1755 4.4572 4.4572 6.9359 6.9359 7.0052 7.0052 7.3361 7.3361 7.3631 7.3631 7.4770 7.4770 7.7334 7.7334 8.4535 8.4535 8.5111 8.5111 8.9871 8.9871 9.0293 9.0293 9.1290 9.1290 9.4219 9.4219 10.3192 10.3192 10.9550 10.9550 11.0975 11.0975 12.7645 12.7645 12.9719 12.9719 k = 0.0370 0.0186 0.0000 ( 3103 PWs) bands (ev): -17.3965 -17.3965 -4.1012 -4.1012 -2.3824 -2.3824 -2.0512 -2.0512 -1.9864 -1.9864 0.1696 0.1696 4.4690 4.4690 6.9344 6.9344 7.0029 7.0029 7.3301 7.3301 7.3644 7.3644 7.4784 7.4784 7.7335 7.7335 8.4551 8.4551 8.5073 8.5073 8.9875 8.9875 9.0312 9.0312 9.1308 9.1308 9.4218 9.4218 10.3245 10.3245 10.9580 10.9580 11.1001 11.1001 12.6626 12.6626 13.0641 13.0641 k = 0.0556 0.0279 0.0000 ( 3107 PWs) bands (ev): -17.3965 -17.3965 -4.1024 -4.1024 -2.3952 -2.3952 -2.0325 -2.0325 -1.9864 -1.9864 0.1599 0.1599 4.4887 4.4887 6.9319 6.9319 6.9994 6.9994 7.3207 7.3207 7.3661 7.3661 7.4806 7.4806 7.7336 7.7336 8.4577 8.4577 8.5013 8.5013 8.9883 8.9883 9.0343 9.0343 9.1338 9.1338 9.4218 9.4218 10.3332 10.3332 10.9630 10.9630 11.1044 11.1044 12.5565 12.5565 13.1520 13.1520 k = 0.0741 0.0372 0.0000 ( 3099 PWs) bands (ev): -17.3965 -17.3965 -4.1041 -4.1041 -2.4109 -2.4109 -2.0085 -2.0085 -1.9864 -1.9864 0.1464 0.1464 4.5160 4.5160 6.9288 6.9288 6.9947 6.9947 7.3083 7.3083 7.3679 7.3679 7.4836 7.4836 7.7339 7.7339 8.4615 8.4615 8.4930 8.4930 8.9894 8.9894 9.0387 9.0387 9.1380 9.1380 9.4217 9.4217 10.3450 10.3450 10.9700 10.9700 11.1104 11.1104 12.4469 12.4469 13.2107 13.2107 k = 0.0926 0.0466 0.0000 ( 3099 PWs) bands (ev): -17.3964 -17.3964 -4.1063 -4.1063 -2.4284 -2.4284 -1.9864 -1.9864 -1.9804 -1.9804 0.1294 0.1294 4.5506 4.5506 6.9248 6.9248 6.9889 6.9889 7.2929 7.2929 7.3698 7.3698 7.4872 7.4872 7.7342 7.7342 8.4664 8.4664 8.4826 8.4826 8.9906 8.9906 9.0441 9.0441 9.1434 9.1434 9.4217 9.4217 10.3598 10.3598 10.9788 10.9788 11.1180 11.1180 12.3335 12.3335 13.2298 13.2298 k = 0.1111 0.0559 0.0000 ( 3071 PWs) bands (ev): -17.3964 -17.3964 -4.1089 -4.1089 -2.4468 -2.4468 -1.9865 -1.9865 -1.9492 -1.9492 0.1091 0.1091 4.5922 4.5922 6.9201 6.9201 6.9821 6.9821 7.2750 7.2750 7.3719 7.3719 7.4914 7.4914 7.7347 7.7347 8.4707 8.4707 8.4725 8.4725 8.9919 8.9919 9.0507 9.0507 9.1500 9.1500 9.4218 9.4218 10.3772 10.3772 10.9894 10.9894 11.1271 11.1271 12.2160 12.2160 13.2534 13.2534 k = 0.1296 0.0652 0.0000 ( 3071 PWs) bands (ev): -17.3964 -17.3964 -4.1118 -4.1118 -2.4655 -2.4655 -1.9865 -1.9865 -1.9155 -1.9155 0.0857 0.0857 4.6403 4.6403 6.9148 6.9148 6.9745 6.9745 7.2543 7.2543 7.3739 7.3739 7.4960 7.4960 7.7351 7.7351 8.4570 8.4570 8.4798 8.4798 8.9934 8.9934 9.0583 9.0583 9.1576 9.1576 9.4217 9.4217 10.3969 10.3969 11.0016 11.0016 11.1376 11.1376 12.0937 12.0937 13.2814 13.2814 k = 0.1481 0.0745 0.0000 ( 3083 PWs) bands (ev): -17.3963 -17.3963 -4.1151 -4.1151 -2.4840 -2.4840 -1.9866 -1.9866 -1.8800 -1.8800 0.0595 0.0595 4.6945 4.6945 6.9090 6.9090 6.9663 6.9663 7.2313 7.2313 7.3760 7.3760 7.5008 7.5008 7.7355 7.7355 8.4421 8.4421 8.4883 8.4883 8.9948 8.9948 9.0665 9.0665 9.1661 9.1661 9.4216 9.4216 10.4184 10.4184 11.0153 11.0153 11.1494 11.1494 11.9663 11.9663 13.3139 13.3139 k = 0.1667 0.0838 0.0000 ( 3079 PWs) bands (ev): -17.3963 -17.3963 -4.1187 -4.1187 -2.5021 -2.5021 -1.9866 -1.9866 -1.8430 -1.8430 0.0309 0.0309 4.7544 4.7544 6.9028 6.9028 6.9576 6.9576 7.2063 7.2063 7.3780 7.3780 7.5057 7.5057 7.7360 7.7360 8.4262 8.4262 8.4983 8.4983 8.9962 8.9962 9.0758 9.0758 9.1758 9.1758 9.4215 9.4215 10.4414 10.4414 11.0303 11.0303 11.1623 11.1623 11.8337 11.8337 13.2987 13.2987 k = 0.1852 0.0931 0.0000 ( 3083 PWs) bands (ev): -17.3962 -17.3962 -4.1225 -4.1225 -2.5196 -2.5196 -1.9867 -1.9867 -1.8048 -1.8048 0.0001 0.0001 4.8192 4.8192 6.8962 6.8962 6.9484 6.9484 7.1795 7.1795 7.3801 7.3801 7.5108 7.5108 7.7365 7.7365 8.4096 8.4096 8.5101 8.5101 8.9977 8.9977 9.0857 9.0857 9.1864 9.1864 9.4214 9.4214 10.4654 10.4654 11.0463 11.0463 11.1762 11.1762 11.6960 11.6960 13.2410 13.2410 k = 0.2037 0.1024 0.0000 ( 3091 PWs) bands (ev): -17.3962 -17.3962 -4.1265 -4.1265 -2.5362 -2.5362 -1.9867 -1.9867 -1.7657 -1.7657 -0.0326 -0.0326 4.8885 4.8885 6.8895 6.8895 6.9392 6.9392 7.1512 7.1512 7.3820 7.3820 7.5157 7.5157 7.7370 7.7370 8.3927 8.3927 8.5233 8.5233 8.9990 8.9990 9.0962 9.0962 9.1977 9.1977 9.4213 9.4213 10.4901 10.4901 11.0629 11.0629 11.1910 11.1910 11.5538 11.5538 13.1767 13.1767 k = 0.2222 0.1117 0.0000 ( 3091 PWs) bands (ev): -17.3961 -17.3961 -4.1306 -4.1306 -2.5520 -2.5520 -1.9868 -1.9868 -1.7260 -1.7260 -0.0668 -0.0668 4.9615 4.9615 6.8827 6.8827 6.9299 6.9299 7.1218 7.1218 7.3839 7.3839 7.5206 7.5206 7.7375 7.7375 8.3755 8.3755 8.5385 8.5385 9.0002 9.0002 9.1071 9.1071 9.2098 9.2098 9.4212 9.4212 10.5151 10.5151 11.0792 11.0792 11.2063 11.2063 11.4084 11.4084 13.1114 13.1114 k = 0.2407 0.1210 0.0000 ( 3103 PWs) bands (ev): -17.3961 -17.3961 -4.1349 -4.1349 -2.5667 -2.5667 -1.9869 -1.9869 -1.6860 -1.6860 -0.1022 -0.1022 5.0376 5.0376 6.8759 6.8759 6.9206 6.9206 7.0915 7.0915 7.3857 7.3857 7.5252 7.5252 7.7380 7.7380 8.3583 8.3583 8.5557 8.5557 9.0013 9.0013 9.1184 9.1184 9.2223 9.2223 9.4211 9.4211 10.5400 10.5400 11.0917 11.0917 11.2221 11.2221 11.2639 11.2639 13.0484 13.0484 k = 0.2593 0.1304 0.0000 ( 3103 PWs) bands (ev): -17.3960 -17.3960 -4.1391 -4.1391 -2.5805 -2.5805 -1.9869 -1.9869 -1.6457 -1.6457 -0.1384 -0.1384 5.1160 5.1160 6.8691 6.8691 6.9116 6.9116 7.0607 7.0607 7.3874 7.3874 7.5296 7.5296 7.7385 7.7385 8.3416 8.3416 8.5753 8.5753 9.0024 9.0024 9.1298 9.1298 9.2352 9.2352 9.4210 9.4210 10.5644 10.5644 11.0635 11.0635 11.1581 11.1581 11.2381 11.2381 12.9896 12.9896 k = 0.2778 0.1397 0.0000 ( 3095 PWs) bands (ev): -17.3960 -17.3960 -4.1433 -4.1433 -2.5933 -2.5933 -1.9870 -1.9870 -1.6056 -1.6056 -0.1752 -0.1752 5.1959 5.1959 6.8626 6.8626 6.9029 6.9029 7.0297 7.0297 7.3889 7.3889 7.5338 7.5338 7.7391 7.7391 8.3254 8.3254 8.5976 8.5976 9.0034 9.0034 9.1412 9.1412 9.2482 9.2482 9.4209 9.4209 10.5882 10.5882 10.9329 10.9329 11.1535 11.1535 11.2542 11.2542 12.9356 12.9356 k = 0.2963 0.1490 0.0000 ( 3095 PWs) bands (ev): -17.3959 -17.3959 -4.1474 -4.1474 -2.6050 -2.6050 -1.9871 -1.9871 -1.5659 -1.5659 -0.2122 -0.2122 5.2764 5.2764 6.8563 6.8563 6.8946 6.8946 6.9987 6.9987 7.3902 7.3902 7.5376 7.5376 7.7396 7.7396 8.3099 8.3099 8.6228 8.6228 9.0042 9.0042 9.1524 9.1524 9.2612 9.2612 9.4208 9.4208 10.6109 10.6109 10.7823 10.7823 11.1685 11.1685 11.2700 11.2700 12.8869 12.8869 k = 0.3148 0.1583 0.0000 ( 3095 PWs) bands (ev): -17.3958 -17.3958 -4.1513 -4.1513 -2.6156 -2.6156 -1.9871 -1.9871 -1.5268 -1.5268 -0.2490 -0.2490 5.3565 5.3565 6.8502 6.8502 6.8867 6.8867 6.9681 6.9681 7.3915 7.3915 7.5411 7.5411 7.7401 7.7401 8.2952 8.2952 8.6513 8.6513 9.0050 9.0050 9.1633 9.1633 9.2739 9.2739 9.4207 9.4207 10.6299 10.6299 10.6324 10.6324 11.1858 11.1858 11.2853 11.2853 12.8433 12.8433 k = 0.3333 0.1676 0.0000 ( 3095 PWs) bands (ev): -17.3958 -17.3958 -4.1550 -4.1550 -2.6252 -2.6252 -1.9872 -1.9872 -1.4887 -1.4887 -0.2851 -0.2851 5.4353 5.4353 6.8445 6.8445 6.8794 6.8794 6.9381 6.9381 7.3925 7.3925 7.5442 7.5442 7.7406 7.7406 8.2814 8.2814 8.6834 8.6834 9.0057 9.0057 9.1737 9.1737 9.2862 9.2862 9.4207 9.4207 10.4788 10.4788 10.6523 10.6523 11.2032 11.2032 11.3000 11.3000 12.8048 12.8048 k = 0.3519 0.1769 0.0000 ( 3107 PWs) bands (ev): -17.3958 -17.3958 -4.1585 -4.1585 -2.6338 -2.6338 -1.9872 -1.9872 -1.4520 -1.4520 -0.3202 -0.3202 5.5115 5.5115 6.8391 6.8391 6.8726 6.8726 6.9092 6.9092 7.3934 7.3934 7.5469 7.5469 7.7411 7.7411 8.2687 8.2687 8.7196 8.7196 9.0063 9.0063 9.1833 9.1833 9.2978 9.2978 9.4206 9.4206 10.3306 10.3306 10.6706 10.6706 11.2200 11.2200 11.3139 11.3139 12.7712 12.7712 k = 0.3704 0.1862 0.0000 ( 3110 PWs) bands (ev): -17.3957 -17.3957 -4.1617 -4.1617 -2.6413 -2.6413 -1.9873 -1.9873 -1.4172 -1.4172 -0.3537 -0.3537 5.5840 5.5840 6.8340 6.8340 6.8665 6.8665 6.8817 6.8817 7.3942 7.3942 7.5494 7.5494 7.7415 7.7415 8.2573 8.2573 8.7602 8.7602 9.0068 9.0068 9.1921 9.1921 9.3086 9.3086 9.4206 9.4206 10.1866 10.1866 10.6871 10.6871 11.2357 11.2357 11.3266 11.3266 12.7422 12.7422 k = 0.3889 0.1955 0.0000 ( 3102 PWs) bands (ev): -17.3957 -17.3957 -4.1646 -4.1646 -2.6478 -2.6478 -1.9873 -1.9873 -1.3849 -1.3849 -0.3850 -0.3850 5.6515 5.6515 6.8289 6.8289 6.8565 6.8565 6.8613 6.8613 7.3949 7.3949 7.5514 7.5514 7.7419 7.7419 8.2473 8.2473 8.8054 8.8054 9.0072 9.0072 9.1998 9.1998 9.3184 9.3184 9.4209 9.4209 10.0483 10.0483 10.7016 10.7016 11.2499 11.2499 11.3382 11.3382 12.7175 12.7175 k = 0.4074 0.2048 0.0000 ( 3106 PWs) bands (ev): -17.3956 -17.3956 -4.1670 -4.1670 -2.6532 -2.6532 -1.9874 -1.9874 -1.3555 -1.3555 -0.4135 -0.4135 5.7126 5.7126 6.8213 6.8213 6.8365 6.8365 6.8567 6.8567 7.3954 7.3954 7.5532 7.5532 7.7422 7.7422 8.2387 8.2387 8.8553 8.8553 9.0075 9.0075 9.2061 9.2061 9.3269 9.3269 9.4211 9.4211 9.9171 9.9171 10.7140 10.7140 11.2625 11.2625 11.3482 11.3482 12.6971 12.6971 k = 0.4259 0.2142 0.0000 ( 3070 PWs) bands (ev): -17.3956 -17.3956 -4.1691 -4.1691 -2.6577 -2.6577 -1.9874 -1.9874 -1.3299 -1.3299 -0.4384 -0.4384 5.7657 5.7657 6.8060 6.8060 6.8280 6.8280 6.8533 6.8533 7.3958 7.3958 7.5546 7.5546 7.7425 7.7425 8.2319 8.2319 8.9095 8.9095 9.0078 9.0078 9.2108 9.2108 9.3341 9.3341 9.4216 9.4216 9.7949 9.7949 10.7244 10.7244 11.2733 11.2733 11.3568 11.3568 12.6806 12.6806 k = 0.4444 0.2235 0.0000 ( 3070 PWs) bands (ev): -17.3956 -17.3956 -4.1707 -4.1707 -2.6612 -2.6612 -1.9874 -1.9874 -1.3089 -1.3089 -0.4589 -0.4589 5.8092 5.8092 6.7895 6.7895 6.8244 6.8244 6.8503 6.8503 7.3962 7.3962 7.5557 7.5557 7.7427 7.7427 8.2263 8.2263 8.9666 8.9666 9.0080 9.0080 9.2133 9.2133 9.3399 9.3399 9.4222 9.4222 9.6844 9.6844 10.7324 10.7324 11.2818 11.2818 11.3635 11.3635 12.6679 12.6679 k = 0.4630 0.2328 0.0000 ( 3054 PWs) bands (ev): -17.3956 -17.3956 -4.1719 -4.1719 -2.6636 -2.6636 -1.9874 -1.9874 -1.2931 -1.2931 -0.4743 -0.4743 5.8416 5.8416 6.7767 6.7767 6.8223 6.8223 6.8481 6.8481 7.3965 7.3965 7.5565 7.5565 7.7429 7.7429 8.2223 8.2223 9.0082 9.0082 9.0233 9.0233 9.2128 9.2128 9.3442 9.3442 9.4235 9.4235 9.5907 9.5907 10.7382 10.7382 11.2880 11.2880 11.3684 11.3684 12.6590 12.6590 k = 0.4815 0.2421 0.0000 ( 3046 PWs) bands (ev): -17.3956 -17.3956 -4.1726 -4.1726 -2.6651 -2.6651 -1.9874 -1.9874 -1.2834 -1.2834 -0.4839 -0.4839 5.8617 5.8617 6.7684 6.7684 6.8211 6.8211 6.8469 6.8469 7.3967 7.3967 7.5570 7.5570 7.7431 7.7431 8.2199 8.2199 9.0083 9.0083 9.0711 9.0711 9.2086 9.2086 9.3469 9.3469 9.4260 9.4260 9.5223 9.5223 10.7417 10.7417 11.2917 11.2917 11.3714 11.3714 12.6536 12.6536 k = 0.5000 0.2514 0.0000 ( 3046 PWs) bands (ev): -17.3956 -17.3956 -4.1729 -4.1729 -2.6656 -2.6656 -1.9874 -1.9874 -1.2800 -1.2800 -0.4871 -0.4871 5.8685 5.8685 6.7655 6.7655 6.8207 6.8207 6.8464 6.8464 7.3967 7.3967 7.5572 7.5572 7.7431 7.7431 8.2190 8.2190 9.0083 9.0083 9.0921 9.0921 9.2049 9.2049 9.3477 9.3477 9.4284 9.4284 9.4953 9.4953 10.7429 10.7429 11.2930 11.2930 11.3724 11.3724 12.6518 12.6518 k = 0.5000 0.2514 0.0000 ( 3046 PWs) bands (ev): -17.3956 -17.3956 -4.1729 -4.1729 -2.6656 -2.6656 -1.9874 -1.9874 -1.2800 -1.2800 -0.4871 -0.4871 5.8685 5.8685 6.7655 6.7655 6.8207 6.8207 6.8464 6.8464 7.3967 7.3967 7.5572 7.5572 7.7431 7.7431 8.2190 8.2190 9.0083 9.0083 9.0921 9.0921 9.2049 9.2049 9.3477 9.3477 9.4284 9.4284 9.4953 9.4953 10.7429 10.7429 11.2930 11.2930 11.3724 11.3724 12.6518 12.6518 k = 0.4936 0.2642 0.0143 ( 3048 PWs) bands (ev): -17.3955 -17.3955 -4.1730 -4.1730 -2.6657 -2.6657 -1.9905 -1.9905 -1.2761 -1.2761 -0.4873 -0.4873 5.8686 5.8686 6.7527 6.7527 6.8270 6.8270 6.8535 6.8535 7.3940 7.3940 7.5543 7.5543 7.7433 7.7433 8.2212 8.2212 9.0076 9.0076 9.0866 9.0866 9.2078 9.2078 9.3410 9.3410 9.4354 9.4354 9.4948 9.4948 10.7472 10.7472 11.2915 11.2915 11.3709 11.3709 12.6563 12.6563 k = 0.4872 0.2770 0.0286 ( 3054 PWs) bands (ev): -17.3953 -17.3953 -4.1733 -4.1733 -2.6662 -2.6662 -1.9992 -1.9992 -1.2645 -1.2645 -0.4879 -0.4879 5.8687 5.8687 6.7272 6.7272 6.8327 6.8327 6.8749 6.8749 7.3859 7.3859 7.5460 7.5460 7.7440 7.7440 8.2274 8.2274 9.0054 9.0054 9.0716 9.0716 9.2146 9.2146 9.3263 9.3263 9.4518 9.4518 9.4934 9.4934 10.7601 10.7601 11.2868 11.2868 11.3670 11.3670 12.6696 12.6696 k = 0.4807 0.2897 0.0429 ( 3066 PWs) bands (ev): -17.3949 -17.3949 -4.1739 -4.1739 -2.6670 -2.6670 -2.0130 -2.0130 -1.2460 -1.2460 -0.4889 -0.4889 5.8690 5.8690 6.6985 6.6985 6.8360 6.8360 6.9028 6.9028 7.3721 7.3721 7.5331 7.5331 7.7454 7.7454 8.2371 8.2371 9.0013 9.0013 9.0503 9.0503 9.2208 9.2208 9.3113 9.3113 9.4717 9.4717 9.4911 9.4911 10.7810 10.7810 11.2779 11.2779 11.3619 11.3619 12.6912 12.6912 k = 0.4743 0.3025 0.0572 ( 3070 PWs) bands (ev): -17.3944 -17.3944 -4.1747 -4.1747 -2.6682 -2.6682 -2.0307 -2.0307 -1.2215 -1.2215 -0.4902 -0.4902 5.8691 5.8691 6.6690 6.6690 6.8392 6.8392 6.9327 6.9327 7.3523 7.3523 7.5168 7.5168 7.7475 7.7475 8.2497 8.2497 8.9939 8.9939 9.0262 9.0262 9.2205 9.2205 9.3032 9.3032 9.4860 9.4860 9.4950 9.4950 10.8093 10.8093 11.2638 11.2638 11.3574 11.3574 12.7207 12.7207 k = 0.4679 0.3153 0.0715 ( 3080 PWs) bands (ev): -17.3937 -17.3937 -4.1758 -4.1758 -2.6699 -2.6699 -2.0513 -2.0513 -1.1922 -1.1922 -0.4918 -0.4918 5.8690 5.8690 6.6393 6.6393 6.8428 6.8428 6.9631 6.9631 7.3263 7.3263 7.4983 7.4983 7.7503 7.7503 8.2643 8.2643 8.9772 8.9772 9.0064 9.0064 9.2097 9.2097 9.3064 9.3064 9.4824 9.4824 9.5164 9.5164 10.8442 10.8442 11.2443 11.2443 11.3544 11.3544 12.7569 12.7569 k = 0.4615 0.3281 0.0858 ( 3078 PWs) bands (ev): -17.3929 -17.3929 -4.1773 -4.1773 -2.6721 -2.6721 -2.0737 -2.0737 -1.1589 -1.1589 -0.4938 -0.4938 5.8684 5.8684 6.6099 6.6099 6.8471 6.8471 6.9937 6.9937 7.2943 7.2943 7.4786 7.4786 7.7540 7.7540 8.2801 8.2801 8.9487 8.9487 8.9949 8.9949 9.1915 9.1915 9.3185 9.3185 9.4772 9.4772 9.5386 9.5386 10.8849 10.8849 11.2199 11.2199 11.3532 11.3532 12.7987 12.7987 k = 0.4550 0.3408 0.1001 ( 3078 PWs) bands (ev): -17.3920 -17.3920 -4.1791 -4.1791 -2.6750 -2.6750 -2.0967 -2.0967 -1.1228 -1.1228 -0.4960 -0.4960 5.8669 5.8669 6.5809 6.5809 6.8521 6.8521 7.0239 7.0239 7.2572 7.2572 7.4582 7.4582 7.7586 7.7586 8.2963 8.2963 8.9149 8.9149 8.9856 8.9856 9.1699 9.1699 9.3355 9.3355 9.4710 9.4710 9.5607 9.5607 10.9304 10.9304 11.1921 11.1921 11.3535 11.3535 12.8445 12.8445 k = 0.4486 0.3536 0.1144 ( 3086 PWs) bands (ev): -17.3909 -17.3909 -4.1813 -4.1813 -2.6787 -2.6787 -2.1196 -2.1196 -1.0846 -1.0846 -0.4984 -0.4984 5.8642 5.8642 6.5525 6.5525 6.8577 6.8577 7.0533 7.0533 7.2163 7.2163 7.4373 7.4373 7.7639 7.7639 8.3123 8.3123 8.8793 8.8793 8.9763 8.9763 9.1471 9.1471 9.3551 9.3551 9.4640 9.4640 9.5823 9.5823 10.9800 10.9800 11.1620 11.1620 11.3548 11.3548 12.8920 12.8920 k = 0.4422 0.3664 0.1287 ( 3086 PWs) bands (ev): -17.3897 -17.3897 -4.1839 -4.1839 -2.6833 -2.6833 -2.1414 -2.1414 -1.0450 -1.0450 -0.5009 -0.5009 5.8598 5.8598 6.5248 6.5248 6.8640 6.8640 7.0802 7.0802 7.1746 7.1746 7.4158 7.4158 7.7701 7.7701 8.3275 8.3275 8.8433 8.8433 8.9661 8.9661 9.1240 9.1240 9.3759 9.3759 9.4569 9.4569 9.6034 9.6034 11.0324 11.0324 11.1315 11.1315 11.3570 11.3570 12.9382 12.9382 k = 0.4358 0.3792 0.1430 ( 3100 PWs) bands (ev): -17.3884 -17.3884 -4.1870 -4.1870 -2.6889 -2.6889 -2.1617 -2.1617 -1.0047 -1.0047 -0.5034 -0.5034 5.8530 5.8530 6.4978 6.4978 6.8708 6.8708 7.0929 7.0929 7.1447 7.1447 7.3938 7.3938 7.7772 7.7772 8.3414 8.3414 8.8079 8.8079 8.9550 8.9550 9.1010 9.1010 9.3954 9.3954 9.4515 9.4515 9.6236 9.6236 11.0787 11.0787 11.1097 11.1097 11.3598 11.3598 12.9775 12.9775 k = 0.4293 0.3919 0.1573 ( 3108 PWs) bands (ev): -17.3870 -17.3870 -4.1907 -4.1907 -2.6955 -2.6955 -2.1798 -2.1798 -0.9643 -0.9643 -0.5058 -0.5058 5.8436 5.8436 6.4717 6.4717 6.8783 6.8783 7.0641 7.0641 7.1555 7.1555 7.3711 7.3711 7.7850 7.7850 8.3536 8.3536 8.7739 8.7739 8.9429 8.9429 9.0782 9.0782 9.4068 9.4068 9.4543 9.4543 9.6429 9.6429 11.0636 11.0636 11.1521 11.1521 11.3629 11.3629 13.0009 13.0009 k = 0.4229 0.4047 0.1716 ( 3110 PWs) bands (ev): -17.3855 -17.3855 -4.1950 -4.1950 -2.7032 -2.7032 -2.1954 -2.1954 -0.9243 -0.9243 -0.5078 -0.5078 5.8309 5.8309 6.4465 6.4465 6.8865 6.8865 7.0210 7.0210 7.1807 7.1807 7.3479 7.3479 7.7937 7.7937 8.3637 8.3637 8.7420 8.7420 8.9299 8.9299 9.0557 9.0557 9.4042 9.4042 9.4711 9.4711 9.6611 9.6611 11.0354 11.0354 11.2101 11.2101 11.3665 11.3665 12.9950 12.9950 k = 0.4165 0.4175 0.1859 ( 3102 PWs) bands (ev): -17.3839 -17.3839 -4.1998 -4.1998 -2.7119 -2.7119 -2.2083 -2.2083 -0.8854 -0.8854 -0.5092 -0.5092 5.8143 5.8143 6.4224 6.4224 6.8952 6.8952 6.9775 6.9775 7.2075 7.2075 7.3242 7.3242 7.8033 7.8033 8.3714 8.3714 8.7126 8.7126 8.9160 8.9160 9.0335 9.0335 9.3935 9.3935 9.4954 9.4954 9.6781 9.6781 11.0084 11.0084 11.2689 11.2689 11.3706 11.3706 12.9527 12.9527 k = 0.4101 0.4303 0.2002 ( 3106 PWs) bands (ev): -17.3823 -17.3823 -4.2054 -4.2054 -2.7216 -2.7216 -2.2182 -2.2182 -0.8482 -0.8482 -0.5096 -0.5096 5.7932 5.7932 6.3994 6.3994 6.9044 6.9044 6.9364 6.9364 7.2338 7.2338 7.3003 7.3003 7.8136 7.8136 8.3764 8.3764 8.6862 8.6862 8.9011 8.9011 9.0114 9.0114 9.3794 9.3794 9.5221 9.5221 9.6939 9.6939 10.9838 10.9838 11.3247 11.3247 11.3766 11.3766 12.8845 12.8845 k = 0.4036 0.4430 0.2145 ( 3110 PWs) bands (ev): -17.3806 -17.3806 -4.2116 -4.2116 -2.7320 -2.7320 -2.2253 -2.2253 -0.8134 -0.8134 -0.5084 -0.5084 5.7675 5.7675 6.3776 6.3776 6.8983 6.8983 6.9146 6.9146 7.2561 7.2561 7.2795 7.2795 7.8247 7.8247 8.3785 8.3785 8.6629 8.6629 8.8853 8.8853 8.9893 8.9893 9.3632 9.3632 9.5498 9.5498 9.7082 9.7082 10.9621 10.9621 11.3626 11.3626 11.3975 11.3975 12.8071 12.8071 k = 0.3972 0.4558 0.2288 ( 3106 PWs) bands (ev): -17.3788 -17.3788 -4.2185 -4.2185 -2.7429 -2.7429 -2.2295 -2.2295 -0.7819 -0.7819 -0.5050 -0.5050 5.7368 5.7368 6.3570 6.3570 6.8654 6.8654 6.9246 6.9246 7.2457 7.2457 7.2903 7.2903 7.8366 7.8366 8.3777 8.3777 8.6430 8.6430 8.8690 8.8690 8.9673 8.9673 9.3453 9.3453 9.5774 9.5774 9.7212 9.7212 10.9438 10.9438 11.3717 11.3717 11.4417 11.4417 12.7332 12.7332 k = 0.3908 0.4686 0.2431 ( 3102 PWs) bands (ev): -17.3769 -17.3769 -4.2260 -4.2260 -2.7542 -2.7542 -2.2310 -2.2310 -0.7546 -0.7546 -0.4988 -0.4988 5.7013 5.7013 6.3378 6.3378 6.8369 6.8369 6.9352 6.9352 7.2212 7.2212 7.3141 7.3141 7.8493 7.8493 8.3742 8.3742 8.6261 8.6261 8.8519 8.8519 8.9453 8.9453 9.3260 9.3260 9.6042 9.6042 9.7329 9.7329 10.9290 10.9290 11.3747 11.3747 11.4837 11.4837 12.6711 12.6711 k = 0.3844 0.4814 0.2574 ( 3106 PWs) bands (ev): -17.3751 -17.3751 -4.2342 -4.2342 -2.7655 -2.7655 -2.2299 -2.2299 -0.7322 -0.7322 -0.4890 -0.4890 5.6613 5.6613 6.3199 6.3199 6.8132 6.8132 6.9462 6.9462 7.1957 7.1957 7.3379 7.3379 7.8628 7.8628 8.3684 8.3684 8.6118 8.6118 8.8342 8.8342 8.9231 8.9231 9.3054 9.3054 9.6295 9.6295 9.7434 9.7434 10.9180 10.9180 11.3758 11.3758 11.5162 11.5162 12.6263 12.6263 k = 0.3780 0.4941 0.2717 ( 3106 PWs) bands (ev): -17.3732 -17.3732 -4.2431 -4.2431 -2.7767 -2.7767 -2.2266 -2.2266 -0.7153 -0.7153 -0.4753 -0.4753 5.6174 5.6174 6.3035 6.3035 6.7941 6.7941 6.9576 6.9576 7.1699 7.1699 7.3609 7.3609 7.8772 7.8772 8.3609 8.3609 8.5996 8.5996 8.8161 8.8161 8.9007 8.9007 9.2837 9.2837 9.6526 9.6526 9.7527 9.7527 10.9107 10.9107 11.3755 11.3755 11.5363 11.5363 12.6029 12.6029 k = 0.3715 0.5069 0.2860 ( 3104 PWs) bands (ev): -17.3713 -17.3713 -4.2524 -4.2524 -2.7874 -2.7874 -2.2213 -2.2213 -0.7037 -0.7037 -0.4581 -0.4581 5.5702 5.5702 6.2885 6.2885 6.7791 6.7791 6.9693 6.9693 7.1441 7.1441 7.3830 7.3830 7.8922 7.8922 8.3522 8.3522 8.5890 8.5890 8.7975 8.7975 8.8782 8.8782 9.2611 9.2611 9.6727 9.6727 9.7611 9.7611 10.9074 10.9074 11.3737 11.3737 11.5436 11.5436 12.6025 12.6025 k = 0.3651 0.5197 0.3003 ( 3096 PWs) bands (ev): -17.3695 -17.3695 -4.2623 -4.2623 -2.7977 -2.7977 -2.2141 -2.2141 -0.6966 -0.6966 -0.4381 -0.4381 5.5207 5.5207 6.2750 6.2750 6.7677 6.7677 6.9812 6.9812 7.1185 7.1185 7.4040 7.4040 7.9080 7.9080 8.3431 8.3431 8.5792 8.5792 8.7788 8.7788 8.8554 8.8554 9.2377 9.2377 9.6892 9.6892 9.7686 9.7686 10.9078 10.9078 11.3701 11.3701 11.5394 11.5394 12.6242 12.6242 k = 0.3587 0.5325 0.3146 ( 3100 PWs) bands (ev): -17.3676 -17.3676 -4.2726 -4.2726 -2.8073 -2.8073 -2.2053 -2.2053 -0.6932 -0.6932 -0.4164 -0.4164 5.4696 5.4696 6.2631 6.2631 6.7591 6.7591 6.9935 6.9935 7.0932 7.0932 7.4240 7.4240 7.9245 7.9245 8.3336 8.3336 8.5698 8.5698 8.7599 8.7599 8.8324 8.8324 9.2137 9.2137 9.7017 9.7017 9.7748 9.7748 10.9120 10.9120 11.3646 11.3646 11.5275 11.5275 12.6651 12.6651 k = 0.3523 0.5452 0.3289 ( 3096 PWs) bands (ev): -17.3658 -17.3658 -4.2832 -4.2832 -2.8162 -2.8162 -2.1951 -2.1951 -0.6924 -0.6924 -0.3941 -0.3941 5.4179 5.4179 6.2527 6.2527 6.7527 6.7527 7.0059 7.0059 7.0683 7.0683 7.4427 7.4427 7.9416 7.9416 8.3246 8.3246 8.5605 8.5605 8.7410 8.7410 8.8093 8.8093 9.1892 9.1892 9.7104 9.7104 9.7796 9.7796 10.9198 10.9198 11.3568 11.3568 11.5119 11.5119 12.7213 12.7213 k = 0.3458 0.5580 0.3432 ( 3092 PWs) bands (ev): -17.3640 -17.3640 -4.2940 -4.2940 -2.8243 -2.8243 -2.1838 -2.1838 -0.6933 -0.6933 -0.3720 -0.3720 5.3664 5.3664 6.2439 6.2439 6.7477 6.7477 7.0184 7.0184 7.0439 7.0439 7.4603 7.4603 7.9594 7.9594 8.3162 8.3162 8.5509 8.5509 8.7221 8.7221 8.7860 8.7860 9.1643 9.1643 9.7153 9.7153 9.7821 9.7821 10.9311 10.9311 11.3465 11.3465 11.4968 11.4968 12.7886 12.7886 k = 0.3394 0.5708 0.3575 ( 3094 PWs) bands (ev): -17.3622 -17.3622 -4.3048 -4.3048 -2.8315 -2.8315 -2.1715 -2.1715 -0.6955 -0.6955 -0.3509 -0.3509 5.3159 5.3159 6.2366 6.2366 6.7435 6.7435 7.0201 7.0201 7.0313 7.0313 7.4766 7.4766 7.9779 7.9779 8.3088 8.3088 8.5408 8.5408 8.7033 8.7033 8.7626 8.7626 9.1391 9.1391 9.7168 9.7168 9.7821 9.7821 10.9456 10.9456 11.3336 11.3336 11.4854 11.4854 12.8627 12.8627 k = 0.3330 0.5836 0.3718 ( 3090 PWs) bands (ev): -17.3606 -17.3606 -4.3157 -4.3157 -2.8380 -2.8380 -2.1584 -2.1584 -0.6982 -0.6982 -0.3313 -0.3313 5.2670 5.2670 6.2310 6.2310 6.7393 6.7393 6.9971 6.9971 7.0441 7.0441 7.4918 7.4918 7.9969 7.9969 8.3025 8.3025 8.5302 8.5302 8.6846 8.6846 8.7393 8.7393 9.1139 9.1139 9.7149 9.7149 9.7795 9.7795 10.9632 10.9632 11.3177 11.3177 11.4799 11.4799 12.8506 12.8506 k = 0.3266 0.5963 0.3861 ( 3092 PWs) bands (ev): -17.3590 -17.3590 -4.3264 -4.3264 -2.8436 -2.8436 -2.1449 -2.1449 -0.7011 -0.7011 -0.3137 -0.3137 5.2204 5.2204 6.2269 6.2269 6.7345 6.7345 6.9749 6.9749 7.0569 7.0569 7.5057 7.5057 8.0163 8.0163 8.2974 8.2974 8.5192 8.5192 8.6662 8.6662 8.7162 8.7162 9.0886 9.0886 9.7094 9.7094 9.7750 9.7750 10.9836 10.9836 11.2987 11.2987 11.4819 11.4819 12.7998 12.7998 k = 0.3201 0.6091 0.4004 ( 3088 PWs) bands (ev): -17.3575 -17.3575 -4.3368 -4.3368 -2.8485 -2.8485 -2.1310 -2.1310 -0.7038 -0.7038 -0.2984 -0.2984 5.1767 5.1767 6.2243 6.2243 6.7286 6.7286 6.9537 6.9537 7.0699 7.0699 7.5183 7.5183 8.0363 8.0363 8.2935 8.2935 8.5077 8.5077 8.6480 8.6480 8.6934 8.6934 9.0635 9.0635 9.6998 9.6998 9.7698 9.7698 11.0066 11.0066 11.2767 11.2767 11.4920 11.4920 12.7537 12.7537 k = 0.3137 0.6219 0.4147 ( 3080 PWs) bands (ev): -17.3561 -17.3561 -4.3468 -4.3468 -2.8528 -2.8528 -2.1169 -2.1169 -0.7060 -0.7060 -0.2858 -0.2858 5.1362 5.1362 6.2234 6.2234 6.7212 6.7212 6.9334 6.9334 7.0829 7.0829 7.5298 7.5298 8.0566 8.0566 8.2910 8.2910 8.4960 8.4960 8.6298 8.6298 8.6713 8.6713 9.0388 9.0388 9.6858 9.6858 9.7650 9.7650 11.0318 11.0318 11.2515 11.2515 11.5104 11.5104 12.7126 12.7126 k = 0.3073 0.6347 0.4290 ( 3084 PWs) bands (ev): -17.3548 -17.3548 -4.3563 -4.3563 -2.8563 -2.8563 -2.1030 -2.1030 -0.7074 -0.7074 -0.2760 -0.2760 5.0995 5.0995 6.2239 6.2239 6.7116 6.7116 6.9142 6.9142 7.0958 7.0958 7.5400 7.5400 8.0770 8.0770 8.2899 8.2899 8.4840 8.4840 8.6115 8.6115 8.6502 8.6502 9.0144 9.0144 9.6677 9.6677 9.7612 9.7612 11.0586 11.0586 11.2234 11.2234 11.5370 11.5370 12.6766 12.6766 k = 0.3009 0.6474 0.4433 ( 3088 PWs) bands (ev): -17.3536 -17.3536 -4.3651 -4.3651 -2.8593 -2.8593 -2.0893 -2.0893 -0.7079 -0.7079 -0.2691 -0.2691 5.0668 5.0668 6.2258 6.2258 6.6996 6.6996 6.8961 6.8961 7.1087 7.1087 7.5491 7.5491 8.0976 8.0976 8.2903 8.2903 8.4720 8.4720 8.5929 8.5929 8.6305 8.6305 8.9905 8.9905 9.6463 9.6463 9.7587 9.7587 11.0859 11.0859 11.1934 11.1934 11.5712 11.5712 12.6460 12.6460 k = 0.2944 0.6602 0.4576 ( 3090 PWs) bands (ev): -17.3525 -17.3525 -4.3732 -4.3732 -2.8618 -2.8618 -2.0761 -2.0761 -0.7071 -0.7071 -0.2655 -0.2655 5.0384 5.0384 6.2293 6.2293 6.6848 6.6848 6.8792 6.8792 7.1215 7.1215 7.5570 7.5570 8.1181 8.1181 8.2920 8.2920 8.4601 8.4601 8.5741 8.5741 8.6128 8.6128 8.9672 8.9672 9.6227 9.6227 9.7574 9.7574 11.1082 11.1082 11.1667 11.1667 11.6124 11.6124 12.6208 12.6208 k = 0.2880 0.6730 0.4719 ( 3084 PWs) bands (ev): -17.3516 -17.3516 -4.3805 -4.3805 -2.8638 -2.8638 -2.0636 -2.0636 -0.7049 -0.7049 -0.2651 -0.2651 5.0144 5.0144 6.2342 6.2342 6.6670 6.6670 6.8635 6.8635 7.1342 7.1342 7.5638 7.5638 8.1384 8.1384 8.2953 8.2953 8.4484 8.4484 8.5553 8.5553 8.5970 8.5970 8.9446 8.9446 9.5979 9.5979 9.7573 9.7573 11.0999 11.0999 11.1689 11.1689 11.6599 11.6599 12.6011 12.6011 k = 0.2816 0.6858 0.4862 ( 3080 PWs) bands (ev): -17.3508 -17.3508 -4.3868 -4.3868 -2.8654 -2.8654 -2.0519 -2.0519 -0.7010 -0.7010 -0.2679 -0.2679 4.9951 4.9951 6.2404 6.2404 6.6461 6.6461 6.8492 6.8492 7.1468 7.1468 7.5695 7.5695 8.1582 8.1582 8.3001 8.3001 8.4369 8.4369 8.5372 8.5372 8.5831 8.5831 8.9229 8.9229 9.5727 9.5727 9.7584 9.7584 11.0645 11.0645 11.1962 11.1962 11.7130 11.7130 12.5870 12.5870 k = 0.2816 0.6858 0.4862 ( 3080 PWs) bands (ev): -17.3508 -17.3508 -4.3868 -4.3868 -2.8654 -2.8654 -2.0519 -2.0519 -0.7010 -0.7010 -0.2679 -0.2679 4.9951 4.9951 6.2404 6.2404 6.6461 6.6461 6.8492 6.8492 7.1468 7.1468 7.5695 7.5695 8.1582 8.1582 8.3001 8.3001 8.4369 8.4369 8.5372 8.5372 8.5831 8.5831 8.9229 8.9229 9.5727 9.5727 9.7584 9.7584 11.0645 11.0645 11.1962 11.1962 11.7130 11.7130 12.5870 12.5870 k = 0.2628 0.6816 0.4909 ( 3084 PWs) bands (ev): -17.3506 -17.3506 -4.3887 -4.3887 -2.8659 -2.8659 -2.0482 -2.0482 -0.6994 -0.6994 -0.2699 -0.2699 4.9917 4.9917 6.2340 6.2340 6.6453 6.6453 6.8445 6.8445 7.1513 7.1513 7.5702 7.5702 8.1648 8.1648 8.3023 8.3023 8.4332 8.4332 8.5315 8.5315 8.5789 8.5789 8.9136 8.9136 9.5695 9.5695 9.7589 9.7589 11.0499 11.0499 11.1841 11.1841 11.7560 11.7560 12.5836 12.5836 k = 0.2441 0.6774 0.4956 ( 3089 PWs) bands (ev): -17.3504 -17.3504 -4.3904 -4.3904 -2.8662 -2.8662 -2.0443 -2.0443 -0.6975 -0.6975 -0.2726 -0.2726 4.9925 4.9925 6.2112 6.2112 6.6573 6.6573 6.8397 6.8397 7.1563 7.1563 7.5689 7.5689 8.1718 8.1718 8.3053 8.3053 8.4299 8.4299 8.5258 8.5258 8.5749 8.5749 8.9004 8.9004 9.5758 9.5758 9.7595 9.7595 11.0331 11.0331 11.1378 11.1378 11.8373 11.8373 12.5808 12.5808 k = 0.2253 0.6732 0.5002 ( 3091 PWs) bands (ev): -17.3502 -17.3502 -4.3921 -4.3921 -2.8666 -2.8666 -2.0402 -2.0402 -0.6955 -0.6955 -0.2759 -0.2759 4.9976 4.9976 6.1752 6.1752 6.6791 6.6791 6.8347 6.8347 7.1617 7.1617 7.5656 7.5656 8.1794 8.1794 8.3091 8.3091 8.4270 8.4270 8.5203 8.5203 8.5710 8.5710 8.8839 8.8839 9.5907 9.5907 9.7601 9.7601 11.0133 11.0133 11.0748 11.0748 11.9397 11.9397 12.5791 12.5791 k = 0.2065 0.6690 0.5049 ( 3091 PWs) bands (ev): -17.3500 -17.3500 -4.3937 -4.3937 -2.8669 -2.8669 -2.0361 -2.0361 -0.6933 -0.6933 -0.2798 -0.2798 5.0068 5.0068 6.1299 6.1299 6.7070 6.7070 6.8299 6.8299 7.1674 7.1674 7.5605 7.5605 8.1875 8.1875 8.3132 8.3132 8.4247 8.4247 8.5151 8.5151 8.5674 8.5674 8.8651 8.8651 9.6131 9.6131 9.7607 9.7607 10.9777 10.9777 11.0187 11.0187 12.0516 12.0516 12.5791 12.5791 k = 0.1877 0.6648 0.5096 ( 3089 PWs) bands (ev): -17.3498 -17.3498 -4.3952 -4.3952 -2.8671 -2.8671 -2.0320 -2.0320 -0.6911 -0.6911 -0.2841 -0.2841 5.0200 5.0200 6.0784 6.0784 6.7382 6.7382 6.8253 6.8253 7.1731 7.1731 7.5537 7.5537 8.1960 8.1960 8.3173 8.3173 8.4231 8.4231 8.5101 8.5101 8.5641 8.5641 8.8450 8.8450 9.6418 9.6418 9.7613 9.7613 10.9087 10.9087 10.9925 10.9925 12.1656 12.1656 12.5823 12.5823 k = 0.1690 0.6606 0.5143 ( 3089 PWs) bands (ev): -17.3497 -17.3497 -4.3965 -4.3965 -2.8673 -2.8673 -2.0280 -2.0280 -0.6889 -0.6889 -0.2887 -0.2887 5.0371 5.0371 6.0233 6.0233 6.7703 6.7703 6.8212 6.8212 7.1786 7.1786 7.5454 7.5454 8.2050 8.2050 8.3210 8.3210 8.4225 8.4225 8.5053 8.5053 8.5610 8.5610 8.8243 8.8243 9.6756 9.6756 9.7623 9.7623 10.8307 10.8307 10.9748 10.9748 12.2749 12.2749 12.5921 12.5921 k = 0.1502 0.6564 0.5190 ( 3087 PWs) bands (ev): -17.3495 -17.3495 -4.3977 -4.3977 -2.8675 -2.8675 -2.0242 -2.0242 -0.6866 -0.6866 -0.2934 -0.2934 5.0576 5.0576 5.9662 5.9662 6.8000 6.8000 6.8197 6.8197 7.1840 7.1840 7.5360 7.5360 8.2143 8.2143 8.3236 8.3236 8.4231 8.4231 8.5009 8.5009 8.5583 8.5583 8.8037 8.8037 9.7124 9.7124 9.7649 9.7649 10.7516 10.7516 10.9595 10.9595 12.3691 12.3691 12.6159 12.6159 k = 0.1314 0.6522 0.5237 ( 3087 PWs) bands (ev): -17.3494 -17.3494 -4.3988 -4.3988 -2.8676 -2.8676 -2.0206 -2.0206 -0.6845 -0.6845 -0.2979 -0.2979 5.0813 5.0813 5.9087 5.9087 6.8092 6.8092 6.8379 6.8379 7.1890 7.1890 7.5258 7.5258 8.2239 8.2239 8.3249 8.3249 8.4251 8.4251 8.4966 8.4966 8.5560 8.5560 8.7837 8.7837 9.7431 9.7431 9.7778 9.7778 10.6729 10.6729 10.9459 10.9459 12.4345 12.4345 12.6651 12.6651 k = 0.1126 0.6481 0.5284 ( 3091 PWs) bands (ev): -17.3493 -17.3493 -4.3998 -4.3998 -2.8677 -2.8677 -2.0173 -2.0173 -0.6825 -0.6825 -0.3023 -0.3023 5.1076 5.1076 5.8520 5.8520 6.8070 6.8070 6.8657 6.8657 7.1936 7.1936 7.5152 7.5152 8.2337 8.2337 8.3245 8.3245 8.4286 8.4286 8.4925 8.4925 8.5540 8.5540 8.7648 8.7648 9.7526 9.7526 9.8152 9.8152 10.5954 10.5954 10.9339 10.9339 12.4685 12.4685 12.7399 12.7399 k = 0.0939 0.6439 0.5331 ( 3093 PWs) bands (ev): -17.3492 -17.3492 -4.4006 -4.4006 -2.8678 -2.8678 -2.0143 -2.0143 -0.6808 -0.6808 -0.3063 -0.3063 5.1357 5.1357 5.7974 5.7974 6.8043 6.8043 6.8918 6.8918 7.1976 7.1976 7.5047 7.5047 8.2436 8.2436 8.3224 8.3224 8.4334 8.4334 8.4886 8.4886 8.5526 8.5526 8.7475 8.7475 9.7544 9.7544 9.8635 9.8635 10.5195 10.5195 10.9236 10.9236 12.4837 12.4837 12.8248 12.8248 k = 0.0751 0.6397 0.5378 ( 3089 PWs) bands (ev): -17.3492 -17.3492 -4.4013 -4.4013 -2.8679 -2.8679 -2.0118 -2.0118 -0.6792 -0.6792 -0.3097 -0.3097 5.1645 5.1645 5.7465 5.7465 6.8019 6.8019 6.9146 6.9146 7.2010 7.2010 7.4950 7.4950 8.2534 8.2534 8.3186 8.3186 8.4393 8.4393 8.4845 8.4845 8.5517 8.5517 8.7324 8.7324 9.7549 9.7549 9.9159 9.9159 10.4457 10.4457 10.9152 10.9152 12.4907 12.4907 12.9063 12.9063 k = 0.0563 0.6355 0.5425 ( 3087 PWs) bands (ev): -17.3491 -17.3491 -4.4019 -4.4019 -2.8679 -2.8679 -2.0099 -2.0099 -0.6780 -0.6780 -0.3126 -0.3126 5.1922 5.1922 5.7013 5.7013 6.8000 6.8000 6.9333 6.9333 7.2037 7.2037 7.4866 7.4866 8.2631 8.2631 8.3135 8.3135 8.4457 8.4457 8.4803 8.4803 8.5511 8.5511 8.7198 8.7198 9.7549 9.7549 9.9711 9.9711 10.3743 10.3743 10.9085 10.9085 12.4939 12.4939 12.9765 12.9765 k = 0.0375 0.6313 0.5471 ( 3091 PWs) bands (ev): -17.3491 -17.3491 -4.4023 -4.4023 -2.8680 -2.8680 -2.0084 -2.0084 -0.6771 -0.6771 -0.3147 -0.3147 5.2163 5.2163 5.6646 5.6646 6.7985 6.7985 6.9472 6.9472 7.2057 7.2057 7.4800 7.4800 8.2725 8.2725 8.3071 8.3071 8.4523 8.4523 8.4758 8.4758 8.5509 8.5509 8.7103 8.7103 9.7548 9.7548 10.0277 10.0277 10.3062 10.3062 10.9038 10.9038 12.4954 12.4954 13.0304 13.0304 k = 0.0188 0.6271 0.5518 ( 3090 PWs) bands (ev): -17.3491 -17.3491 -4.4025 -4.4025 -2.8680 -2.8680 -2.0075 -2.0075 -0.6765 -0.6765 -0.3160 -0.3160 5.2331 5.2331 5.6401 5.6401 6.7977 6.7977 6.9558 6.9558 7.2069 7.2069 7.4758 7.4758 8.2813 8.2813 8.3002 8.3002 8.4587 8.4587 8.4708 8.4708 8.5509 8.5509 8.7044 8.7044 9.7547 9.7547 10.0824 10.0824 10.2446 10.2446 10.9009 10.9009 12.4960 12.4960 13.0642 13.0642 k = 0.0000 0.6229 0.5565 ( 3080 PWs) bands (ev): -17.3490 -17.3490 -4.4026 -4.4026 -2.8680 -2.8680 -2.0072 -2.0072 -0.6763 -0.6763 -0.3164 -0.3164 5.2393 5.2393 5.6314 5.6314 6.7974 6.7974 6.9587 6.9587 7.2073 7.2073 7.4744 7.4744 8.2869 8.2869 8.2952 8.2952 8.4634 8.4634 8.4667 8.4667 8.5509 8.5509 8.7024 8.7024 9.7547 9.7547 10.1145 10.1145 10.2102 10.2102 10.8999 10.8999 12.4962 12.4962 13.0758 13.0758 k = 0.0000 0.6229 0.5565 ( 3080 PWs) bands (ev): -17.3490 -17.3490 -4.4026 -4.4026 -2.8680 -2.8680 -2.0072 -2.0072 -0.6763 -0.6763 -0.3164 -0.3164 5.2393 5.2393 5.6314 5.6314 6.7974 6.7974 6.9587 6.9587 7.2073 7.2073 7.4744 7.4744 8.2869 8.2869 8.2952 8.2952 8.4634 8.4634 8.4667 8.4667 8.5509 8.5509 8.7024 8.7024 9.7547 9.7547 10.1145 10.1145 10.2102 10.2102 10.8999 10.8999 12.4962 12.4962 13.0758 13.0758 k = 0.0066 0.6098 0.5712 ( 3082 PWs) bands (ev): -17.3490 -17.3490 -4.4023 -4.4023 -2.8677 -2.8677 -2.0079 -2.0079 -0.6756 -0.6756 -0.3175 -0.3175 5.2406 5.2406 5.6290 5.6290 6.7987 6.7987 6.9581 6.9581 7.2059 7.2059 7.4754 7.4754 8.2857 8.2857 8.2946 8.2946 8.4559 8.4559 8.4754 8.4754 8.5509 8.5509 8.7027 8.7027 9.7527 9.7527 10.1144 10.1144 10.2102 10.2102 10.8885 10.8885 12.5098 12.5098 13.0801 13.0801 k = 0.0132 0.5967 0.5858 ( 3084 PWs) bands (ev): -17.3488 -17.3488 -4.4015 -4.4015 -2.8668 -2.8668 -2.0101 -2.0101 -0.6736 -0.6736 -0.3207 -0.3207 5.2443 5.2443 5.6220 5.6220 6.8025 6.8025 6.9564 6.9564 7.2016 7.2016 7.4785 7.4785 8.2822 8.2822 8.2927 8.2927 8.4481 8.4481 8.4865 8.4865 8.5509 8.5509 8.7036 8.7036 9.7469 9.7469 10.1140 10.1140 10.2101 10.2101 10.8559 10.8559 12.5484 12.5484 13.0939 13.0939 k = 0.0197 0.5837 0.6005 ( 3086 PWs) bands (ev): -17.3484 -17.3484 -4.4001 -4.4001 -2.8654 -2.8654 -2.0136 -2.0136 -0.6703 -0.6703 -0.3260 -0.3260 5.2506 5.2506 5.6106 5.6106 6.8081 6.8081 6.9540 6.9540 7.1945 7.1945 7.4834 7.4834 8.2769 8.2769 8.2892 8.2892 8.4414 8.4414 8.4982 8.4982 8.5511 8.5511 8.7052 8.7052 9.7375 9.7375 10.1131 10.1131 10.2096 10.2096 10.8061 10.8061 12.6064 12.6064 13.1189 13.1189 k = 0.0263 0.5706 0.6151 ( 3088 PWs) bands (ev): -17.3479 -17.3479 -4.3982 -4.3982 -2.8634 -2.8634 -2.0185 -2.0185 -0.6658 -0.6658 -0.3334 -0.3334 5.2591 5.2591 5.5952 5.5952 6.8143 6.8143 6.9518 6.9518 7.1848 7.1848 7.4905 7.4905 8.2700 8.2700 8.2844 8.2844 8.4354 8.4354 8.5102 8.5102 8.5519 8.5519 8.7072 8.7072 9.7245 9.7245 10.1114 10.1114 10.2079 10.2079 10.7445 10.7445 12.6755 12.6755 13.1586 13.1586 k = 0.0329 0.5575 0.6298 ( 3088 PWs) bands (ev): -17.3473 -17.3473 -4.3959 -4.3959 -2.8608 -2.8608 -2.0247 -2.0247 -0.6599 -0.6599 -0.3429 -0.3429 5.2697 5.2697 5.5763 5.5763 6.8197 6.8197 6.9508 6.9508 7.1727 7.1727 7.4994 7.4994 8.2615 8.2615 8.2787 8.2787 8.4297 8.4297 8.5221 8.5221 8.5537 8.5537 8.7099 8.7099 9.7084 9.7084 10.1086 10.1086 10.2040 10.2040 10.6767 10.6767 12.7465 12.7465 13.2173 13.2173 k = 0.0395 0.5444 0.6444 ( 3092 PWs) bands (ev): -17.3466 -17.3466 -4.3930 -4.3930 -2.8576 -2.8576 -2.0320 -2.0320 -0.6528 -0.6528 -0.3544 -0.3544 5.2822 5.2822 5.5544 5.5544 6.8222 6.8222 6.9526 6.9526 7.1583 7.1583 7.5100 7.5100 8.2515 8.2515 8.2728 8.2728 8.4235 8.4235 8.5337 8.5337 8.5568 8.5568 8.7129 8.7129 9.6894 9.6894 10.1043 10.1043 10.1962 10.1962 10.6081 10.6081 12.8117 12.8117 13.2989 13.2989 k = 0.0461 0.5313 0.6590 ( 3092 PWs) bands (ev): -17.3457 -17.3457 -4.3898 -4.3898 -2.8539 -2.8539 -2.0404 -2.0404 -0.6444 -0.6444 -0.3680 -0.3680 5.2962 5.2962 5.5303 5.5303 6.8201 6.8201 6.9586 6.9586 7.1420 7.1420 7.5224 7.5224 8.2401 8.2401 8.2670 8.2670 8.4166 8.4166 8.5446 8.5446 8.5616 8.5616 8.7164 8.7164 9.6679 9.6679 10.0979 10.0979 10.1820 10.1820 10.5443 10.5443 12.8674 12.8674 13.4033 13.4033 k = 0.0526 0.5182 0.6737 ( 3098 PWs) bands (ev): -17.3447 -17.3447 -4.3861 -4.3861 -2.8496 -2.8496 -2.0497 -2.0497 -0.6349 -0.6349 -0.3837 -0.3837 5.3113 5.3113 5.5044 5.5044 6.8126 6.8126 6.9689 6.9689 7.1242 7.1242 7.5365 7.5365 8.2276 8.2276 8.2615 8.2615 8.4086 8.4086 8.5543 8.5543 8.5681 8.5681 8.7203 8.7203 9.6440 9.6440 10.0886 10.0886 10.1588 10.1588 10.4904 10.4904 12.9143 12.9143 13.5248 13.5248 k = 0.0592 0.5052 0.6883 ( 3104 PWs) bands (ev): -17.3436 -17.3436 -4.3821 -4.3821 -2.8447 -2.8447 -2.0598 -2.0598 -0.6243 -0.6243 -0.4013 -0.4013 5.3272 5.3272 5.4775 5.4775 6.8002 6.8002 6.9826 6.9826 7.1052 7.1052 7.5521 7.5521 8.2144 8.2144 8.2564 8.2564 8.3996 8.3996 8.5628 8.5628 8.5762 8.5762 8.7245 8.7245 9.6182 9.6182 10.0740 10.0740 10.1269 10.1269 10.4498 10.4498 12.9553 12.9553 13.5966 13.5966 k = 0.0658 0.4921 0.7030 ( 3100 PWs) bands (ev): -17.3424 -17.3424 -4.3778 -4.3778 -2.8392 -2.8392 -2.0705 -2.0705 -0.6126 -0.6126 -0.4208 -0.4208 5.3430 5.3430 5.4503 5.4503 6.7837 6.7837 6.9983 6.9983 7.0861 7.0861 7.5692 7.5692 8.2007 8.2007 8.2518 8.2518 8.3896 8.3896 8.5706 8.5706 8.5851 8.5851 8.7291 8.7291 9.5908 9.5908 10.0467 10.0467 10.0946 10.0946 10.4224 10.4224 12.9932 12.9932 13.6189 13.6189 k = 0.0724 0.4790 0.7176 ( 3094 PWs) bands (ev): -17.3410 -17.3410 -4.3733 -4.3733 -2.8331 -2.8331 -2.0817 -2.0817 -0.6000 -0.6000 -0.4422 -0.4422 5.3577 5.3577 5.4238 5.4238 6.7640 6.7640 7.0136 7.0136 7.0683 7.0683 7.5876 7.5876 8.1867 8.1867 8.2476 8.2476 8.3790 8.3790 8.5778 8.5778 8.5940 8.5940 8.7341 8.7341 9.5620 9.5620 10.0006 10.0006 10.0713 10.0713 10.4050 10.4050 13.0301 13.0301 13.6348 13.6348 k = 0.0789 0.4659 0.7323 ( 3100 PWs) bands (ev): -17.3396 -17.3396 -4.3686 -4.3686 -2.8265 -2.8265 -2.0932 -2.0932 -0.5864 -0.5864 -0.4654 -0.4654 5.3667 5.3667 5.4026 5.4026 6.7416 6.7416 7.0216 7.0216 7.0585 7.0585 7.6073 7.6073 8.1726 8.1726 8.2437 8.2437 8.3678 8.3678 8.5843 8.5843 8.6028 8.6028 8.7392 8.7392 9.5321 9.5321 9.9451 9.9451 10.0519 10.0519 10.3938 10.3938 13.0675 13.0675 13.6455 13.6455 k = 0.0855 0.4528 0.7469 ( 3100 PWs) bands (ev): -17.3382 -17.3382 -4.3638 -4.3638 -2.8192 -2.8192 -2.1048 -2.1048 -0.5719 -0.5719 -0.4903 -0.4903 5.3560 5.3560 5.4005 5.4005 6.7172 6.7172 7.0128 7.0128 7.0660 7.0660 7.6280 7.6280 8.1587 8.1587 8.2401 8.2401 8.3565 8.3565 8.5897 8.5897 8.6114 8.6114 8.7448 8.7448 9.5013 9.5013 9.8875 9.8875 10.0323 10.0323 10.3855 10.3855 13.1063 13.1063 13.6526 13.6526 k = 0.0921 0.4397 0.7616 ( 3100 PWs) bands (ev): -17.3366 -17.3366 -4.3590 -4.3590 -2.8114 -2.8114 -2.1165 -2.1165 -0.5571 -0.5571 -0.5165 -0.5165 5.3329 5.3329 5.4098 5.4098 6.6911 6.6911 6.9972 6.9972 7.0812 7.0812 7.6497 7.6497 8.1450 8.1450 8.2368 8.2368 8.3455 8.3455 8.5939 8.5939 8.6199 8.6199 8.7505 8.7505 9.4699 9.4699 9.8311 9.8311 10.0114 10.0114 10.3778 10.3778 13.1474 13.1474 13.6579 13.6579 k = 0.0987 0.4266 0.7762 ( 3098 PWs) bands (ev): -17.3350 -17.3350 -4.3541 -4.3541 -2.8031 -2.8031 -2.1280 -2.1280 -0.5496 -0.5496 -0.5362 -0.5362 5.3086 5.3086 5.4193 5.4193 6.6636 6.6636 6.9815 6.9815 7.0974 7.0974 7.6722 7.6722 8.1316 8.1316 8.2334 8.2334 8.3350 8.3350 8.5967 8.5967 8.6283 8.6283 8.7565 8.7565 9.4380 9.4380 9.7775 9.7775 9.9892 9.9892 10.3692 10.3692 13.1913 13.1913 13.6633 13.6633 k = 0.1053 0.4136 0.7908 ( 3098 PWs) bands (ev): -17.3334 -17.3334 -4.3493 -4.3493 -2.7941 -2.7941 -2.1391 -2.1391 -0.5762 -0.5762 -0.5227 -0.5227 5.2849 5.2849 5.4266 5.4266 6.6349 6.6349 6.9676 6.9676 7.1131 7.1131 7.6954 7.6954 8.1187 8.1187 8.2297 8.2297 8.3254 8.3254 8.5980 8.5980 8.6364 8.6364 8.7626 8.7626 9.4060 9.4060 9.7276 9.7276 9.9656 9.9656 10.3586 10.3586 13.2384 13.2384 13.6703 13.6703 k = 0.1118 0.4005 0.8055 ( 3102 PWs) bands (ev): -17.3317 -17.3317 -4.3446 -4.3446 -2.7846 -2.7846 -2.1498 -2.1498 -0.6070 -0.6070 -0.5058 -0.5058 5.2624 5.2624 5.4310 5.4310 6.6054 6.6054 6.9564 6.9564 7.1278 7.1278 7.7191 7.7191 8.1063 8.1063 8.2256 8.2256 8.3170 8.3170 8.5982 8.5982 8.6442 8.6442 8.7688 8.7688 9.3739 9.3739 9.6817 9.6817 9.9410 9.9410 10.3448 10.3448 13.2890 13.2890 13.6797 13.6797 k = 0.1184 0.3874 0.8201 ( 3108 PWs) bands (ev): -17.3300 -17.3300 -4.3401 -4.3401 -2.7746 -2.7746 -2.1599 -2.1599 -0.6392 -0.6392 -0.4882 -0.4882 5.2415 5.2415 5.4319 5.4319 6.5752 6.5752 6.9485 6.9485 7.1411 7.1411 7.7430 7.7430 8.0946 8.0946 8.2206 8.2206 8.3103 8.3103 8.5974 8.5974 8.6516 8.6516 8.7750 8.7750 9.3420 9.3420 9.6400 9.6400 9.9157 9.9157 10.3275 10.3275 13.3433 13.3433 13.6922 13.6922 k = 0.1250 0.3743 0.8348 ( 3108 PWs) bands (ev): -17.3282 -17.3282 -4.3359 -4.3359 -2.7642 -2.7642 -2.1693 -2.1693 -0.6726 -0.6726 -0.4703 -0.4703 5.2224 5.2224 5.4291 5.4291 6.5446 6.5446 6.9442 6.9442 7.1531 7.1531 7.7671 7.7671 8.0837 8.0837 8.2148 8.2148 8.3053 8.3053 8.5959 8.5959 8.6586 8.6586 8.7811 8.7811 9.3105 9.3105 9.6025 9.6025 9.8901 9.8901 10.3060 10.3060 13.4015 13.4015 13.7082 13.7082 k = 0.1316 0.3612 0.8494 ( 3104 PWs) bands (ev): -17.3265 -17.3265 -4.3318 -4.3318 -2.7532 -2.7532 -2.1778 -2.1778 -0.7069 -0.7069 -0.4522 -0.4522 5.2050 5.2050 5.4225 5.4225 6.5139 6.5139 6.9437 6.9437 7.1635 7.1635 7.7910 7.7910 8.0737 8.0737 8.2082 8.2082 8.3020 8.3020 8.5942 8.5942 8.6651 8.6651 8.7869 8.7869 9.2795 9.2795 9.5690 9.5690 9.8645 9.8645 10.2801 10.2801 13.4633 13.4633 13.7281 13.7281 k = 0.1382 0.3481 0.8641 ( 3098 PWs) bands (ev): -17.3248 -17.3248 -4.3281 -4.3281 -2.7419 -2.7419 -2.1854 -2.1854 -0.7420 -0.7420 -0.4339 -0.4339 5.1894 5.1894 5.4122 5.4122 6.4831 6.4831 6.9470 6.9470 7.1723 7.1723 7.8144 7.8144 8.0648 8.0648 8.2008 8.2008 8.3004 8.3004 8.5927 8.5927 8.6712 8.6712 8.7925 8.7925 9.2490 9.2490 9.5391 9.5391 9.8393 9.8393 10.2498 10.2498 13.5286 13.5286 13.7519 13.7519 k = 0.1447 0.3351 0.8787 ( 3106 PWs) bands (ev): -17.3231 -17.3231 -4.3247 -4.3247 -2.7303 -2.7303 -2.1920 -2.1920 -0.7776 -0.7776 -0.4157 -0.4157 5.1756 5.1756 5.3985 5.3985 6.4525 6.4525 6.9539 6.9539 7.1797 7.1797 7.8371 7.8371 8.0571 8.0571 8.1929 8.1929 8.2999 8.2999 8.5916 8.5916 8.6768 8.6768 8.7976 8.7976 9.2192 9.2192 9.5125 9.5125 9.8147 9.8147 10.2150 10.2150 13.5968 13.5968 13.7802 13.7802 k = 0.1513 0.3220 0.8934 ( 3110 PWs) bands (ev): -17.3214 -17.3214 -4.3217 -4.3217 -2.7184 -2.7184 -2.1975 -2.1975 -0.8135 -0.8135 -0.3977 -0.3977 5.1637 5.1637 5.3818 5.3818 6.4224 6.4224 6.9641 6.9641 7.1856 7.1856 7.8585 7.8585 8.0509 8.0509 8.1847 8.1847 8.3004 8.3004 8.5916 8.5916 8.6822 8.6822 8.8025 8.8025 9.1901 9.1901 9.4887 9.4887 9.7910 9.7910 10.1760 10.1760 13.6668 13.6668 13.8134 13.8134 k = 0.1579 0.3089 0.9080 ( 3112 PWs) bands (ev): -17.3198 -17.3198 -4.3190 -4.3190 -2.7064 -2.7064 -2.2019 -2.2019 -0.8495 -0.8495 -0.3799 -0.3799 5.1534 5.1534 5.3626 5.3626 6.3928 6.3928 6.9772 6.9772 7.1902 7.1902 7.8782 7.8782 8.0466 8.0466 8.1765 8.1765 8.3015 8.3015 8.5929 8.5929 8.6875 8.6875 8.8070 8.8070 9.1618 9.1618 9.4675 9.4675 9.7685 9.7685 10.1333 10.1333 13.7369 13.7369 13.8527 13.8527 k = 0.1645 0.2958 0.9227 ( 3112 PWs) bands (ev): -17.3182 -17.3182 -4.3166 -4.3166 -2.6944 -2.6944 -2.2051 -2.2051 -0.8854 -0.8854 -0.3626 -0.3626 5.1447 5.1447 5.3414 5.3414 6.3642 6.3642 6.9926 6.9926 7.1936 7.1936 7.8956 7.8956 8.0445 8.0445 8.1685 8.1685 8.3028 8.3028 8.5962 8.5962 8.6929 8.6929 8.8112 8.8112 9.1344 9.1344 9.4482 9.4482 9.7475 9.7475 10.0873 10.0873 13.8042 13.8042 13.9000 13.9000 k = 0.1711 0.2827 0.9373 ( 3110 PWs) bands (ev): -17.3168 -17.3168 -4.3146 -4.3146 -2.6825 -2.6825 -2.2072 -2.2072 -0.9208 -0.9208 -0.3459 -0.3459 5.1376 5.1376 5.3190 5.3190 6.3365 6.3365 7.0096 7.0096 7.1960 7.1960 7.9101 7.9101 8.0450 8.0450 8.1609 8.1609 8.3043 8.3043 8.6017 8.6017 8.6983 8.6983 8.8150 8.8150 9.1078 9.1078 9.4305 9.4305 9.7280 9.7280 10.0388 10.0388 13.8656 13.8656 13.9572 13.9572 k = 0.1776 0.2696 0.9519 ( 3108 PWs) bands (ev): -17.3153 -17.3153 -4.3129 -4.3129 -2.6709 -2.6709 -2.2082 -2.2082 -0.9554 -0.9554 -0.3298 -0.3298 5.1317 5.1317 5.2959 5.2959 6.3101 6.3101 7.0276 7.0276 7.1975 7.1975 7.9213 7.9213 8.0482 8.0482 8.1536 8.1536 8.3057 8.3057 8.6098 8.6098 8.7042 8.7042 8.8185 8.8185 9.0821 9.0821 9.4137 9.4137 9.7102 9.7102 9.9885 9.9885 13.9211 13.9211 14.0228 14.0228 k = 0.1842 0.2565 0.9666 ( 3110 PWs) bands (ev): -17.3140 -17.3140 -4.3115 -4.3115 -2.6597 -2.6597 -2.2081 -2.2081 -0.9890 -0.9890 -0.3146 -0.3146 5.1269 5.1269 5.2729 5.2729 6.2851 6.2851 7.0460 7.0460 7.1984 7.1984 7.9291 7.9291 8.0540 8.0540 8.1468 8.1468 8.3069 8.3069 8.6206 8.6206 8.7106 8.7106 8.8218 8.8218 9.0574 9.0574 9.3973 9.3973 9.6940 9.6940 9.9375 9.9375 13.9737 13.9737 14.0914 14.0914 k = 0.1908 0.2435 0.9812 ( 3112 PWs) bands (ev): -17.3128 -17.3128 -4.3104 -4.3104 -2.6490 -2.6490 -2.2070 -2.2070 -1.0211 -1.0211 -0.3004 -0.3004 5.1230 5.1230 5.2507 5.2507 6.2618 6.2618 7.0641 7.0641 7.1989 7.1989 7.9340 7.9340 8.0617 8.0617 8.1406 8.1406 8.3077 8.3077 8.6342 8.6342 8.7177 8.7177 8.8251 8.8251 9.0336 9.0336 9.3806 9.3806 9.6796 9.6796 9.8869 9.8869 14.0258 14.0258 14.1548 14.1548 k = 0.1974 0.2304 0.9959 ( 3112 PWs) bands (ev): -17.3117 -17.3117 -4.3095 -4.3095 -2.6391 -2.6391 -2.2051 -2.2051 -1.0514 -1.0514 -0.2873 -0.2873 5.1196 5.1196 5.2298 5.2298 6.2403 6.2403 7.0812 7.0812 7.1993 7.1993 7.9368 7.9368 8.0704 8.0704 8.1351 8.1351 8.3082 8.3082 8.6504 8.6504 8.7257 8.7257 8.8285 8.8285 9.0110 9.0110 9.3630 9.3630 9.6668 9.6668 9.8380 9.8380 14.0784 14.0784 14.1945 14.1945 k = 0.2039 0.2173 1.0105 ( 3114 PWs) bands (ev): -17.3106 -17.3106 -4.3089 -4.3089 -2.6301 -2.6301 -2.2025 -2.2025 -1.0795 -1.0795 -0.2754 -0.2754 5.1164 5.1164 5.2110 5.2110 6.2208 6.2208 7.0967 7.0967 7.1998 7.1998 7.9381 7.9381 8.0791 8.0791 8.1301 8.1301 8.3084 8.3084 8.6686 8.6686 8.7346 8.7346 8.8324 8.8324 8.9894 8.9894 9.3438 9.3438 9.6556 9.6556 9.7921 9.7921 14.1313 14.1313 14.2136 14.2136 k = 0.2105 0.2042 1.0252 ( 3116 PWs) bands (ev): -17.3097 -17.3097 -4.3084 -4.3084 -2.6220 -2.6220 -2.1994 -2.1994 -1.1050 -1.1050 -0.2648 -0.2648 5.1132 5.1132 5.1948 5.1948 6.2034 6.2034 7.1102 7.1102 7.2007 7.2007 7.9385 7.9385 8.0873 8.0873 8.1259 8.1259 8.3084 8.3084 8.6879 8.6879 8.7445 8.7445 8.8373 8.8373 8.9692 8.9692 9.3225 9.3225 9.6458 9.6458 9.7507 9.7507 14.1826 14.1826 14.2307 14.2307 k = 0.2171 0.1911 1.0398 ( 3122 PWs) bands (ev): -17.3090 -17.3090 -4.3080 -4.3080 -2.6150 -2.6150 -2.1962 -2.1962 -1.1275 -1.1275 -0.2557 -0.2557 5.1095 5.1095 5.1816 5.1816 6.1885 6.1885 7.1212 7.1212 7.2022 7.2022 7.9385 7.9385 8.0945 8.0945 8.1224 8.1224 8.3081 8.3081 8.7070 8.7070 8.7551 8.7551 8.8440 8.8440 8.9505 8.9505 9.2988 9.2988 9.6373 9.6373 9.7151 9.7151 14.2213 14.2213 14.2596 14.2596 k = 0.2237 0.1780 1.0545 ( 3114 PWs) bands (ev): -17.3083 -17.3083 -4.3078 -4.3078 -2.6092 -2.6092 -2.1930 -2.1930 -1.1465 -1.1465 -0.2481 -0.2481 5.1054 5.1054 5.1718 5.1718 6.1760 6.1760 7.1295 7.1295 7.2043 7.2043 7.9382 7.9382 8.1004 8.1004 8.1197 8.1197 8.3077 8.3077 8.7245 8.7245 8.7653 8.7653 8.8536 8.8536 8.9337 8.9337 9.2735 9.2735 9.6299 9.6299 9.6865 9.6865 14.2395 14.2395 14.3070 14.3070 k = 0.2303 0.1650 1.0691 ( 3114 PWs) bands (ev): -17.3079 -17.3079 -4.3076 -4.3076 -2.6047 -2.6047 -2.1902 -2.1902 -1.1618 -1.1618 -0.2421 -0.2421 5.1013 5.1013 5.1650 5.1650 6.1661 6.1661 7.1354 7.1354 7.2067 7.2067 7.9379 7.9379 8.1047 8.1047 8.1179 8.1179 8.3073 8.3073 8.7395 8.7395 8.7735 8.7735 8.8661 8.8661 8.9193 8.9193 9.2481 9.2481 9.6233 9.6233 9.6653 9.6653 14.2504 14.2504 14.3572 14.3572 k = 0.2368 0.1519 1.0838 ( 3106 PWs) bands (ev): -17.3075 -17.3075 -4.3075 -4.3075 -2.6014 -2.6014 -2.1879 -2.1879 -1.1730 -1.1730 -0.2377 -0.2377 5.0976 5.0976 5.1608 5.1608 6.1590 6.1590 7.1391 7.1391 7.2089 7.2089 7.9377 7.9377 8.1073 8.1073 8.1171 8.1171 8.3070 8.3070 8.7515 8.7515 8.7785 8.7785 8.8799 8.8799 8.9080 8.9080 9.2252 9.2252 9.6175 9.6175 9.6516 9.6516 14.2581 14.2581 14.4018 14.4018 k = 0.2434 0.1388 1.0984 ( 3112 PWs) bands (ev): -17.3073 -17.3073 -4.3075 -4.3075 -2.5994 -2.5994 -2.1865 -2.1865 -1.1798 -1.1798 -0.2351 -0.2351 5.0951 5.0951 5.1586 5.1586 6.1547 6.1547 7.1411 7.1411 7.2104 7.2104 7.9374 7.9374 8.1083 8.1083 8.1171 8.1171 8.3068 8.3068 8.7600 8.7600 8.7803 8.7803 8.8912 8.8912 8.9006 8.9006 9.2088 9.2088 9.6133 9.6133 9.6442 9.6442 14.2627 14.2627 14.4334 14.4334 k = 0.2500 0.1257 1.1130 ( 3108 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1860 -2.1860 -1.1820 -1.1820 -0.2342 -0.2342 5.0943 5.0943 5.1579 5.1579 6.1533 6.1533 7.1418 7.1418 7.2110 7.2110 7.9375 7.9375 8.1086 8.1086 8.1172 8.1172 8.3068 8.3068 8.7633 8.7633 8.7804 8.7804 8.8960 8.8960 8.8976 8.8976 9.2028 9.2028 9.6117 9.6117 9.6420 9.6420 14.2643 14.2643 14.4449 14.4449 k = 0.2500 0.1257 1.1130 ( 3108 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1860 -2.1860 -1.1820 -1.1820 -0.2342 -0.2342 5.0943 5.0943 5.1579 5.1579 6.1533 6.1533 7.1418 7.1418 7.2110 7.2110 7.9375 7.9375 8.1086 8.1086 8.1172 8.1172 8.3068 8.3068 8.7633 8.7633 8.7804 8.7804 8.8960 8.8960 8.8976 8.8976 9.2028 9.2028 9.6117 9.6117 9.6420 9.6420 14.2643 14.2643 14.4449 14.4449 k = 0.2656 0.1336 1.1043 ( 3112 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5988 -2.5988 -2.1861 -2.1861 -1.1817 -1.1817 -0.2344 -0.2344 5.0862 5.0862 5.1671 5.1671 6.1531 6.1531 7.1322 7.1322 7.2193 7.2193 7.9374 7.9374 8.1076 8.1076 8.1181 8.1181 8.3068 8.3068 8.7623 8.7623 8.7803 8.7803 8.8828 8.8828 8.9112 8.9112 9.2050 9.2050 9.6119 9.6119 9.6424 9.6424 14.2280 14.2280 14.4408 14.4408 k = 0.2812 0.1414 1.0955 ( 3106 PWs) bands (ev): -17.3073 -17.3073 -4.3075 -4.3075 -2.5992 -2.5992 -2.1863 -2.1863 -1.1806 -1.1806 -0.2347 -0.2347 5.0686 5.0686 5.1882 5.1882 6.1526 6.1526 7.1119 7.1119 7.2362 7.2362 7.9377 7.9377 8.1047 8.1047 8.1209 8.1209 8.3068 8.3068 8.7591 8.7591 8.7807 8.7807 8.8714 8.8714 8.9238 8.9238 9.2110 9.2110 9.6128 9.6128 9.6436 9.6436 14.1445 14.1445 14.4293 14.4293 k = 0.2969 0.1493 1.0867 ( 3110 PWs) bands (ev): -17.3073 -17.3073 -4.3075 -4.3075 -2.5998 -2.5998 -2.1868 -2.1868 -1.1788 -1.1788 -0.2353 -0.2353 5.0493 5.0493 5.2135 5.2135 6.1518 6.1518 7.0876 7.0876 7.2548 7.2548 7.9381 7.9381 8.1010 8.1010 8.1243 8.1243 8.3066 8.3066 8.7536 8.7536 8.7811 8.7811 8.8626 8.8626 8.9353 8.9353 9.2197 9.2197 9.6147 9.6147 9.6455 9.6455 14.0444 14.0444 14.4122 14.4122 k = 0.3125 0.1571 1.0779 ( 3117 PWs) bands (ev): -17.3074 -17.3074 -4.3075 -4.3075 -2.6005 -2.6005 -2.1873 -2.1873 -1.1762 -1.1762 -0.2363 -0.2363 5.0311 5.0311 5.2407 5.2407 6.1504 6.1504 7.0617 7.0617 7.2727 7.2727 7.9386 7.9386 8.0969 8.0969 8.1279 8.1279 8.3063 8.3063 8.7463 8.7463 8.7816 8.7816 8.8565 8.8565 8.9458 8.9458 9.2296 9.2296 9.6177 9.6177 9.6484 9.6484 13.9412 13.9412 14.3921 14.3921 k = 0.3281 0.1650 1.0691 ( 3116 PWs) bands (ev): -17.3075 -17.3075 -4.3075 -4.3075 -2.6015 -2.6015 -2.1881 -2.1881 -1.1729 -1.1729 -0.2376 -0.2376 5.0150 5.0150 5.2687 5.2687 6.1488 6.1488 7.0353 7.0353 7.2889 7.2889 7.9391 7.9391 8.0924 8.0924 8.1316 8.1316 8.3059 8.3059 8.7378 8.7378 8.7821 8.7821 8.8529 8.8529 8.9558 8.9558 9.2393 9.2393 9.6215 9.6215 9.6527 9.6527 13.8408 13.8408 14.3707 14.3707 k = 0.3438 0.1728 1.0603 ( 3118 PWs) bands (ev): -17.3077 -17.3077 -4.3075 -4.3075 -2.6027 -2.6027 -2.1891 -2.1891 -1.1687 -1.1687 -0.2394 -0.2394 5.0014 5.0014 5.2968 5.2968 6.1468 6.1468 7.0091 7.0091 7.3030 7.3030 7.9397 7.9397 8.0877 8.0877 8.1354 8.1354 8.3052 8.3052 8.7286 8.7286 8.7824 8.7824 8.8514 8.8514 8.9658 8.9658 9.2474 9.2474 9.6256 9.6256 9.6589 9.6589 13.7460 13.7460 14.3489 14.3489 k = 0.3594 0.1807 1.0515 ( 3118 PWs) bands (ev): -17.3078 -17.3078 -4.3076 -4.3076 -2.6041 -2.6041 -2.1903 -2.1903 -1.1637 -1.1637 -0.2417 -0.2417 4.9908 4.9908 5.3247 5.3247 6.1447 6.1447 6.9836 6.9836 7.3149 7.3149 7.9403 7.9403 8.0828 8.0828 8.1390 8.1390 8.3043 8.3043 8.7191 8.7191 8.7827 8.7827 8.8516 8.8516 8.9758 8.9758 9.2530 9.2530 9.6294 9.6294 9.6677 9.6677 13.6586 13.6586 14.3271 14.3271 k = 0.3750 0.1886 1.0427 ( 3120 PWs) bands (ev): -17.3080 -17.3080 -4.3076 -4.3076 -2.6056 -2.6056 -2.1916 -2.1916 -1.1579 -1.1579 -0.2446 -0.2446 4.9833 4.9833 5.3519 5.3519 6.1426 6.1426 6.9593 6.9593 7.3245 7.3245 7.9409 7.9409 8.0776 8.0776 8.1426 8.1426 8.3031 8.3031 8.7098 8.7098 8.7828 8.7828 8.8532 8.8532 8.9862 8.9862 9.2552 9.2552 9.6326 9.6326 9.6792 9.6792 13.5798 13.5798 14.3057 14.3057 k = 0.3906 0.1964 1.0339 ( 3124 PWs) bands (ev): -17.3083 -17.3083 -4.3076 -4.3076 -2.6073 -2.6073 -2.1932 -2.1932 -1.1513 -1.1513 -0.2480 -0.2480 4.9790 4.9790 5.3780 5.3780 6.1405 6.1405 6.9365 6.9365 7.3316 7.3316 7.9414 7.9414 8.0723 8.0723 8.1461 8.1461 8.3017 8.3017 8.7010 8.7010 8.7827 8.7827 8.8561 8.8561 8.9968 8.9968 9.2539 9.2539 9.6350 9.6350 9.6928 9.6928 13.5104 13.5104 14.2848 14.2848 k = 0.4062 0.2043 1.0251 ( 3128 PWs) bands (ev): -17.3085 -17.3085 -4.3076 -4.3076 -2.6091 -2.6091 -2.1950 -2.1950 -1.1438 -1.1438 -0.2519 -0.2519 4.9780 4.9780 5.4025 5.4025 6.1387 6.1387 6.9158 6.9158 7.3362 7.3362 7.9418 7.9418 8.0668 8.0668 8.1494 8.1494 8.3001 8.3001 8.6929 8.6929 8.7826 8.7826 8.8599 8.8599 9.0077 9.0077 9.2487 9.2487 9.6369 9.6369 9.7081 9.7081 13.4510 13.4510 14.2646 14.2646 k = 0.4219 0.2121 1.0163 ( 3130 PWs) bands (ev): -17.3088 -17.3088 -4.3077 -4.3077 -2.6111 -2.6111 -2.1970 -2.1970 -1.1355 -1.1355 -0.2565 -0.2565 4.9803 4.9803 5.4252 5.4252 6.1373 6.1373 6.8975 6.8975 7.3383 7.3383 7.9422 7.9422 8.0611 8.0611 8.1525 8.1525 8.2982 8.2982 8.6855 8.6855 8.7824 8.7824 8.8647 8.8647 9.0189 9.0189 9.2397 9.2397 9.6385 9.6385 9.7245 9.7245 13.4019 13.4019 14.2452 14.2452 k = 0.4375 0.2200 1.0075 ( 3132 PWs) bands (ev): -17.3091 -17.3091 -4.3077 -4.3077 -2.6132 -2.6132 -2.1992 -2.1992 -1.1264 -1.1264 -0.2615 -0.2615 4.9857 4.9857 5.4455 5.4455 6.1364 6.1364 6.8821 6.8821 7.3379 7.3379 7.9424 7.9424 8.0554 8.0554 8.1554 8.1554 8.2961 8.2961 8.6790 8.6790 8.7820 8.7820 8.8704 8.8704 9.0301 9.0301 9.2273 9.2273 9.6396 9.6396 9.7415 9.7415 13.3633 13.3633 14.2268 14.2268 k = 0.4531 0.2278 0.9987 ( 3128 PWs) bands (ev): -17.3094 -17.3094 -4.3077 -4.3077 -2.6155 -2.6155 -2.2015 -2.2015 -1.1166 -1.1166 -0.2671 -0.2671 4.9942 4.9942 5.4632 5.4632 6.1361 6.1361 6.8699 6.8699 7.3349 7.3349 7.9426 7.9426 8.0495 8.0495 8.1581 8.1581 8.2939 8.2939 8.6733 8.6733 8.7817 8.7817 8.8771 8.8771 9.0412 9.0412 9.2119 9.2119 9.6406 9.6406 9.7588 9.7588 13.3349 13.3349 14.2095 14.2095 k = 0.4688 0.2357 0.9899 ( 3128 PWs) bands (ev): -17.3097 -17.3097 -4.3077 -4.3077 -2.6179 -2.6179 -2.2040 -2.2040 -1.1060 -1.1060 -0.2731 -0.2731 5.0055 5.0055 5.4779 5.4779 6.1367 6.1367 6.8612 6.8612 7.3294 7.3294 7.9426 7.9426 8.0436 8.0436 8.1606 8.1606 8.2916 8.2916 8.6685 8.6685 8.7812 8.7812 8.8847 8.8847 9.0515 9.0515 9.1944 9.1944 9.6412 9.6412 9.7763 9.7763 13.3166 13.3166 14.1934 14.1934 k = 0.4844 0.2435 0.9811 ( 3126 PWs) bands (ev): -17.3101 -17.3101 -4.3077 -4.3077 -2.6204 -2.6204 -2.2066 -2.2066 -1.0947 -1.0947 -0.2795 -0.2795 5.0194 5.0194 5.4894 5.4894 6.1381 6.1381 6.8561 6.8561 7.3215 7.3215 7.9422 7.9422 8.0378 8.0378 8.1628 8.1628 8.2894 8.2894 8.6644 8.6644 8.7807 8.7807 8.8932 8.8932 9.0600 9.0600 9.1762 9.1762 9.6416 9.6416 9.7938 9.7938 13.3079 13.3079 14.1786 14.1786 k = 0.5000 0.2514 0.9724 ( 3120 PWs) bands (ev): -17.3105 -17.3105 -4.3077 -4.3077 -2.6230 -2.6230 -2.2093 -2.2093 -1.0829 -1.0829 -0.2863 -0.2863 5.0355 5.0355 5.4977 5.4977 6.1405 6.1405 6.8549 6.8549 7.3112 7.3112 7.9413 7.9413 8.0323 8.0323 8.1648 8.1648 8.2872 8.2872 8.6611 8.6611 8.7801 8.7801 8.9027 8.9027 9.0640 9.0640 9.1607 9.1607 9.6419 9.6419 9.8114 9.8114 13.3082 13.3082 14.1653 14.1653 k = 0.5000 0.2514 0.9724 ( 3120 PWs) bands (ev): -17.3105 -17.3105 -4.3077 -4.3077 -2.6230 -2.6230 -2.2093 -2.2093 -1.0829 -1.0829 -0.2863 -0.2863 5.0355 5.0355 5.4977 5.4977 6.1405 6.1405 6.8549 6.8549 7.3112 7.3112 7.9413 7.9413 8.0323 8.0323 8.1648 8.1648 8.2872 8.2872 8.6611 8.6611 8.7801 8.7801 8.9027 8.9027 9.0640 9.0640 9.1607 9.1607 9.6419 9.6419 9.8114 9.8114 13.3082 13.3082 14.1653 14.1653 k = 0.5000 0.2514 0.9517 ( 3116 PWs) bands (ev): -17.3115 -17.3115 -4.3077 -4.3077 -2.6295 -2.6295 -2.2159 -2.2159 -1.0530 -1.0530 -0.3032 -0.3032 5.0782 5.0782 5.5143 5.5143 6.1478 6.1478 6.8565 6.8565 7.2823 7.2823 7.9376 7.9376 8.0195 8.0195 8.1694 8.1694 8.2815 8.2815 8.6546 8.6546 8.7782 8.7782 8.9266 8.9266 9.0654 9.0654 9.1327 9.1327 9.6423 9.6423 9.8532 9.8532 13.3161 13.3161 14.1338 14.1338 k = 0.5000 0.2514 0.9310 ( 3108 PWs) bands (ev): -17.3127 -17.3127 -4.3076 -4.3076 -2.6364 -2.6364 -2.2230 -2.2230 -1.0207 -1.0207 -0.3216 -0.3216 5.1254 5.1254 5.5332 5.5332 6.1559 6.1559 6.8582 6.8582 7.2500 7.2500 7.9316 7.9316 8.0074 8.0074 8.1744 8.1744 8.2750 8.2750 8.6491 8.6491 8.7762 8.7762 8.9516 8.9516 9.0677 9.0677 9.1093 9.1093 9.6427 9.6427 9.8952 9.8952 13.3167 13.3167 14.0992 14.0992 k = 0.5000 0.2514 0.9103 ( 3108 PWs) bands (ev): -17.3139 -17.3139 -4.3075 -4.3075 -2.6434 -2.6434 -2.2305 -2.2305 -0.9866 -0.9866 -0.3409 -0.3409 5.1766 5.1766 5.5542 5.5542 6.1645 6.1645 6.8600 6.8600 7.2147 7.2147 7.9214 7.9214 7.9976 7.9976 8.1796 8.1796 8.2679 8.2679 8.6447 8.6447 8.7740 8.7740 8.9767 8.9767 9.0681 9.0681 9.0947 9.0947 9.6432 9.6432 9.9372 9.9372 13.3075 13.3075 14.0615 14.0615 k = 0.5000 0.2514 0.8896 ( 3116 PWs) bands (ev): -17.3153 -17.3153 -4.3072 -4.3072 -2.6504 -2.6504 -2.2383 -2.2383 -0.9511 -0.9511 -0.3609 -0.3609 5.2313 5.2313 5.5774 5.5774 6.1736 6.1736 6.8619 6.8619 7.1768 7.1768 7.9058 7.9058 7.9914 7.9914 8.1846 8.1846 8.2605 8.2605 8.6413 8.6413 8.7716 8.7716 8.9996 8.9996 9.0634 9.0634 9.0950 9.0950 9.6436 9.6436 9.9793 9.9793 13.2868 13.2868 14.0209 14.0209 k = 0.5000 0.2514 0.8689 ( 3108 PWs) bands (ev): -17.3169 -17.3169 -4.3067 -4.3067 -2.6572 -2.6572 -2.2464 -2.2464 -0.9149 -0.9149 -0.3813 -0.3813 5.2889 5.2889 5.6028 5.6028 6.1829 6.1829 6.8638 6.8638 7.1370 7.1370 7.8853 7.8853 7.9890 7.9890 8.1890 8.1890 8.2536 8.2536 8.6391 8.6391 8.7691 8.7691 9.0135 9.0135 9.0657 9.0657 9.1055 9.1055 9.6442 9.6442 10.0217 10.0217 13.2535 13.2535 13.9778 13.9778 k = 0.5000 0.2514 0.8482 ( 3108 PWs) bands (ev): -17.3185 -17.3185 -4.3061 -4.3061 -2.6637 -2.6637 -2.2548 -2.2548 -0.8784 -0.8784 -0.4016 -0.4016 5.3489 5.3489 5.6302 5.6302 6.1922 6.1922 6.8657 6.8657 7.0957 7.0957 7.8608 7.8608 7.9895 7.9895 8.1914 8.1914 8.2485 8.2485 8.6378 8.6378 8.7666 8.7666 9.0146 9.0146 9.0828 9.0828 9.1223 9.1223 9.6447 9.6447 10.0645 10.0645 13.2077 13.2077 13.9321 13.9321 k = 0.5000 0.2514 0.8275 ( 3108 PWs) bands (ev): -17.3202 -17.3202 -4.3053 -4.3053 -2.6697 -2.6697 -2.2635 -2.2635 -0.8422 -0.8422 -0.4215 -0.4215 5.4107 5.4107 5.6597 5.6597 6.2012 6.2012 6.8675 6.8675 7.0538 7.0538 7.8334 7.8334 7.9923 7.9923 8.1903 8.1903 8.2467 8.2467 8.6377 8.6377 8.7642 8.7642 9.0115 9.0115 9.1059 9.1059 9.1456 9.1456 9.6453 9.6453 10.1077 10.1077 13.1501 13.1501 13.8839 13.8839 k = 0.5000 0.2514 0.8068 ( 3106 PWs) bands (ev): -17.3221 -17.3221 -4.3043 -4.3043 -2.6752 -2.6752 -2.2724 -2.2724 -0.8069 -0.8069 -0.4404 -0.4404 5.4736 5.4736 5.6913 5.6913 6.2095 6.2095 6.8693 6.8693 7.0121 7.0121 7.8039 7.8039 7.9969 7.9969 8.1849 8.1849 8.2492 8.2492 8.6386 8.6386 8.7619 8.7619 9.0094 9.0094 9.1299 9.1299 9.1751 9.1751 9.6459 9.6459 10.1516 10.1516 13.0824 13.0824 13.8334 13.8334 k = 0.5000 0.2514 0.7862 ( 3102 PWs) bands (ev): -17.3240 -17.3240 -4.3031 -4.3031 -2.6800 -2.6800 -2.2817 -2.2817 -0.7731 -0.7731 -0.4580 -0.4580 5.5372 5.5372 5.7249 5.7249 6.2167 6.2167 6.8710 6.8710 6.9715 6.9715 7.7731 7.7731 8.0031 8.0031 8.1760 8.1760 8.2552 8.2552 8.6405 8.6405 8.7600 8.7600 9.0097 9.0097 9.1545 9.1545 9.2095 9.2095 9.6466 9.6466 10.1966 10.1966 13.0064 13.0064 13.7805 13.7805 k = 0.5000 0.2514 0.7655 ( 3086 PWs) bands (ev): -17.3261 -17.3261 -4.3015 -4.3015 -2.6841 -2.6841 -2.2911 -2.2911 -0.7416 -0.7416 -0.4736 -0.4736 5.6007 5.6007 5.7604 5.7604 6.2222 6.2222 6.8726 6.8726 6.9331 6.9331 7.7416 7.7416 8.0107 8.0107 8.1649 8.1649 8.2637 8.2637 8.6434 8.6434 8.7583 8.7583 9.0128 9.0128 9.1805 9.1805 9.2474 9.2474 9.6474 9.6474 10.2428 10.2428 12.9242 12.9242 13.7251 13.7251 k = 0.5000 0.2514 0.7448 ( 3092 PWs) bands (ev): -17.3282 -17.3282 -4.2997 -4.2997 -2.6874 -2.6874 -2.3008 -2.3008 -0.7134 -0.7134 -0.4864 -0.4864 5.6635 5.6635 5.7979 5.7979 6.2255 6.2255 6.8739 6.8739 6.8978 6.8978 7.7098 7.7098 8.0193 8.0193 8.1525 8.1525 8.2736 8.2736 8.6470 8.6470 8.7570 8.7570 9.0185 9.0185 9.2083 9.2083 9.2880 9.2880 9.6481 9.6481 10.2904 10.2904 12.8379 12.8379 13.6670 13.6670 k = 0.5000 0.2514 0.7241 ( 3084 PWs) bands (ev): -17.3304 -17.3304 -4.2975 -4.2975 -2.6900 -2.6900 -2.3105 -2.3105 -0.6897 -0.6897 -0.4954 -0.4954 5.7251 5.7251 5.8372 5.8372 6.2260 6.2260 6.8660 6.8660 6.8758 6.8758 7.6782 7.6782 8.0291 8.0291 8.1396 8.1396 8.2847 8.2847 8.6514 8.6514 8.7563 8.7563 9.0267 9.0267 9.2380 9.2380 9.3310 9.3310 9.6488 9.6488 10.3400 10.3400 12.7494 12.7494 13.6061 13.6061 k = 0.5000 0.2514 0.7034 ( 3090 PWs) bands (ev): -17.3327 -17.3327 -4.2950 -4.2950 -2.6918 -2.6918 -2.3204 -2.3204 -0.6717 -0.6717 -0.4996 -0.4996 5.7850 5.7850 5.8782 5.8782 6.2231 6.2231 6.8404 6.8404 6.8764 6.8764 7.6471 7.6471 8.0395 8.0395 8.1267 8.1267 8.2965 8.2965 8.6563 8.6563 8.7561 8.7561 9.0372 9.0372 9.2695 9.2695 9.3760 9.3760 9.6496 9.6496 10.3916 10.3916 12.6602 12.6602 13.5420 13.5420 k = 0.5000 0.2514 0.6827 ( 3086 PWs) bands (ev): -17.3351 -17.3351 -4.2922 -4.2922 -2.6929 -2.6929 -2.3302 -2.3302 -0.6603 -0.6603 -0.4984 -0.4984 5.8428 5.8428 5.9209 5.9209 6.2164 6.2164 6.8204 6.8204 6.8772 6.8772 7.6171 7.6171 8.0496 8.0496 8.1151 8.1151 8.3090 8.3090 8.6618 8.6618 8.7566 8.7566 9.0498 9.0498 9.3025 9.3025 9.4232 9.4232 9.6505 9.6505 10.4455 10.4455 12.5721 12.5721 13.4743 13.4743 k = 0.5000 0.2514 0.6620 ( 3094 PWs) bands (ev): -17.3375 -17.3375 -4.2890 -4.2890 -2.6933 -2.6933 -2.3399 -2.3399 -0.6552 -0.6552 -0.4923 -0.4923 5.8981 5.8981 5.9649 5.9649 6.2057 6.2057 6.8070 6.8070 6.8778 6.8778 7.5882 7.5882 8.0566 8.0566 8.1075 8.1075 8.3220 8.3220 8.6675 8.6675 8.7580 8.7580 9.0642 9.0642 9.3365 9.3365 9.4723 9.4723 9.6514 9.6514 10.5019 10.5019 12.4862 12.4862 13.4026 13.4026 k = 0.5000 0.2514 0.6413 ( 3096 PWs) bands (ev): -17.3399 -17.3399 -4.2855 -4.2855 -2.6931 -2.6931 -2.3492 -2.3492 -0.6548 -0.6548 -0.4829 -0.4829 5.9509 5.9509 6.0099 6.0099 6.1913 6.1913 6.8001 6.8001 6.8781 6.8781 7.5607 7.5607 8.0557 8.0557 8.1091 8.1091 8.3353 8.3353 8.6734 8.6734 8.7605 8.7605 9.0803 9.0803 9.3713 9.3713 9.5234 9.5234 9.6526 9.6526 10.5611 10.5611 12.4040 12.4040 13.3263 13.3263 k = 0.5000 0.2514 0.6207 ( 3098 PWs) bands (ev): -17.3424 -17.3424 -4.2816 -4.2816 -2.6923 -2.6923 -2.3581 -2.3581 -0.6576 -0.6576 -0.4723 -0.4723 6.0010 6.0010 6.0555 6.0555 6.1739 6.1739 6.7996 6.7996 6.8782 6.8782 7.5349 7.5349 8.0466 8.0466 8.1201 8.1201 8.3487 8.3487 8.6794 8.6794 8.7642 8.7642 9.0977 9.0977 9.4061 9.4061 9.5764 9.5764 9.6541 9.6541 10.6231 10.6231 12.3265 12.3265 13.2453 13.2453 k = 0.5000 0.2514 0.6000 ( 3098 PWs) bands (ev): -17.3449 -17.3449 -4.2774 -4.2774 -2.6911 -2.6911 -2.3662 -2.3662 -0.6619 -0.6619 -0.4620 -0.4620 6.0483 6.0483 6.1007 6.1007 6.1550 6.1550 6.8048 6.8048 6.8781 6.8781 7.5107 7.5107 8.0336 8.0336 8.1366 8.1366 8.3621 8.3621 8.6854 8.6854 8.7693 8.7693 9.1162 9.1162 9.4402 9.4402 9.6312 9.6312 9.6561 9.6561 10.6880 10.6880 12.2549 12.2549 13.1592 13.1592 k = 0.5000 0.2514 0.5793 ( 3098 PWs) bands (ev): -17.3475 -17.3475 -4.2729 -4.2729 -2.6896 -2.6896 -2.3734 -2.3734 -0.6671 -0.6671 -0.4532 -0.4532 6.0921 6.0921 6.1250 6.1250 6.1565 6.1565 6.8152 6.8152 6.8779 6.8779 7.4882 7.4882 8.0190 8.0190 8.1561 8.1561 8.3753 8.3753 8.6914 8.6914 8.7758 8.7758 9.1356 9.1356 9.4727 9.4727 9.6581 9.6581 9.6885 9.6885 10.7555 10.7555 12.1903 12.1903 13.0679 13.0679 k = 0.5000 0.2514 0.5586 ( 3090 PWs) bands (ev): -17.3501 -17.3501 -4.2681 -4.2681 -2.6880 -2.6880 -2.3794 -2.3794 -0.6725 -0.6725 -0.4465 -0.4465 6.1050 6.1050 6.1332 6.1332 6.2016 6.2016 6.8299 6.8299 6.8778 6.8778 7.4673 7.4673 8.0037 8.0037 8.1779 8.1779 8.3881 8.3881 8.6975 8.6975 8.7838 8.7838 9.1557 9.1557 9.5027 9.5027 9.6616 9.6616 9.7472 9.7472 10.8256 10.8256 12.1339 12.1339 12.9716 12.9716 k = 0.5000 0.2514 0.5379 ( 3086 PWs) bands (ev): -17.3527 -17.3527 -4.2630 -4.2630 -2.6863 -2.6863 -2.3840 -2.3840 -0.6781 -0.6781 -0.4423 -0.4423 6.0826 6.0826 6.1693 6.1693 6.2514 6.2514 6.8475 6.8475 6.8781 6.8781 7.4478 7.4478 7.9880 7.9880 8.2017 8.2017 8.4001 8.4001 8.7039 8.7039 8.7931 8.7931 9.1761 9.1761 9.5290 9.5290 9.6662 9.6662 9.8077 9.8077 10.8978 10.8978 12.0866 12.0866 12.8705 12.8705 k = 0.5000 0.2514 0.5172 ( 3092 PWs) bands (ev): -17.3552 -17.3552 -4.2578 -4.2578 -2.6846 -2.6846 -2.3870 -2.3870 -0.6837 -0.6837 -0.4408 -0.4408 6.0601 6.0601 6.2019 6.2019 6.3029 6.3029 6.8637 6.8637 6.8829 6.8829 7.4296 7.4296 7.9721 7.9721 8.2273 8.2273 8.4111 8.4111 8.7109 8.7109 8.8036 8.8036 9.1966 9.1966 9.5505 9.5505 9.6721 9.6721 9.8700 9.8700 10.9714 10.9714 12.0495 12.0495 12.7653 12.7653 k = 0.5000 0.2514 0.4965 ( 3096 PWs) bands (ev): -17.3578 -17.3578 -4.2523 -4.2523 -2.6832 -2.6832 -2.3881 -2.3881 -0.6895 -0.6895 -0.4418 -0.4418 6.0382 6.0382 6.2311 6.2311 6.3558 6.3558 6.8690 6.8690 6.9011 6.9011 7.4123 7.4123 7.9563 7.9563 8.2546 8.2546 8.4209 8.4209 8.7188 8.7188 8.8151 8.8151 9.2172 9.2172 9.5667 9.5667 9.6792 9.6792 9.9340 9.9340 11.0457 11.0457 12.0235 12.0235 12.6565 12.6565 k = 0.5000 0.2514 0.4758 ( 3098 PWs) bands (ev): -17.3604 -17.3604 -4.2468 -4.2468 -2.6821 -2.6821 -2.3872 -2.3872 -0.6959 -0.6959 -0.4452 -0.4452 6.0175 6.0175 6.2574 6.2574 6.4098 6.4098 6.8689 6.8689 6.9269 6.9269 7.3958 7.3958 7.9406 7.9406 8.2839 8.2839 8.4290 8.4290 8.7280 8.7280 8.8275 8.8275 9.2375 9.2375 9.5776 9.5776 9.6866 9.6866 9.9997 9.9997 11.1196 11.1196 12.0095 12.0095 12.5450 12.5450 k = 0.5000 0.2514 0.4551 ( 3098 PWs) bands (ev): -17.3629 -17.3629 -4.2412 -4.2412 -2.6812 -2.6812 -2.3840 -2.3840 -0.7032 -0.7032 -0.4506 -0.4506 5.9982 5.9982 6.2812 6.2812 6.4646 6.4646 6.8677 6.8677 6.9555 6.9555 7.3797 7.3797 7.9251 7.9251 8.3147 8.3147 8.4354 8.4354 8.7386 8.7386 8.8407 8.8407 9.2574 9.2574 9.5839 9.5839 9.6930 9.6930 10.0669 10.0669 11.1918 11.1918 12.0080 12.0080 12.4317 12.4317 k = 0.5000 0.2514 0.4345 ( 3094 PWs) bands (ev): -17.3654 -17.3654 -4.2355 -4.2355 -2.6807 -2.6807 -2.3786 -2.3786 -0.7118 -0.7118 -0.4577 -0.4577 5.9805 5.9805 6.3028 6.3028 6.5201 6.5201 6.8661 6.8661 6.9860 6.9860 7.3637 7.3637 7.9098 7.9098 8.3472 8.3472 8.4400 8.4400 8.7510 8.7510 8.8546 8.8546 9.2769 9.2769 9.5867 9.5867 9.6971 9.6971 10.1355 10.1355 11.2606 11.2606 12.0192 12.0192 12.3176 12.3176 k = 0.5000 0.2514 0.4138 ( 3096 PWs) bands (ev): -17.3678 -17.3678 -4.2299 -4.2299 -2.6805 -2.6805 -2.3709 -2.3709 -0.7224 -0.7224 -0.4656 -0.4656 5.9644 5.9644 6.3229 6.3229 6.5761 6.5761 6.8643 6.8643 7.0178 7.0178 7.3474 7.3474 7.8949 7.8949 8.3810 8.3810 8.4426 8.4426 8.7650 8.7650 8.8691 8.8691 9.2957 9.2957 9.5866 9.5866 9.6980 9.6980 10.2054 10.2054 11.3243 11.3243 12.0423 12.0423 12.2044 12.2044 k = 0.5000 0.2514 0.3931 ( 3088 PWs) bands (ev): -17.3702 -17.3702 -4.2244 -4.2244 -2.6804 -2.6804 -2.3610 -2.3610 -0.7356 -0.7356 -0.4739 -0.4739 5.9499 5.9499 6.3418 6.3418 6.6325 6.6325 6.8623 6.8623 7.0507 7.0507 7.3307 7.3307 7.8804 7.8804 8.4147 8.4147 8.4450 8.4450 8.7807 8.7807 8.8840 8.8840 9.3138 9.3138 9.5840 9.5840 9.6952 9.6952 10.2765 10.2765 11.3811 11.3811 12.0593 12.0593 12.1106 12.1106 k = 0.5000 0.2514 0.3724 ( 3094 PWs) bands (ev): -17.3726 -17.3726 -4.2190 -4.2190 -2.6805 -2.6805 -2.3488 -2.3488 -0.7518 -0.7518 -0.4818 -0.4818 5.9370 5.9370 6.3599 6.3599 6.6891 6.6891 6.8602 6.8602 7.0842 7.0842 7.3133 7.3133 7.8663 7.8663 8.4336 8.4336 8.4612 8.4612 8.7979 8.7979 8.8994 8.8994 9.3311 9.3311 9.5791 9.5791 9.6889 9.6889 10.3485 10.3485 11.4293 11.4293 11.9680 11.9680 12.1386 12.1386 k = 0.5000 0.2514 0.3517 ( 3098 PWs) bands (ev): -17.3748 -17.3748 -4.2139 -4.2139 -2.6805 -2.6805 -2.3344 -2.3344 -0.7716 -0.7716 -0.4887 -0.4887 5.9257 5.9257 6.3776 6.3776 6.7456 6.7456 6.8580 6.8580 7.1182 7.1182 7.2951 7.2951 7.8529 7.8529 8.4322 8.4322 8.4972 8.4972 8.8164 8.8164 8.9153 8.9153 9.3476 9.3476 9.5716 9.5716 9.6796 9.6796 10.4213 10.4213 11.4674 11.4674 11.8583 11.8583 12.1982 12.1982 k = 0.5000 0.2514 0.3310 ( 3090 PWs) bands (ev): -17.3770 -17.3770 -4.2089 -4.2089 -2.6805 -2.6805 -2.3181 -2.3181 -0.7951 -0.7951 -0.4944 -0.4944 5.9159 5.9159 6.3953 6.3953 6.8019 6.8019 6.8558 6.8558 7.1522 7.1522 7.2761 7.2761 7.8402 7.8402 8.4264 8.4264 8.5369 8.5369 8.8358 8.8358 8.9320 8.9320 9.3632 9.3632 9.5616 9.5616 9.6682 9.6682 10.4945 10.4945 11.4948 11.4948 11.7499 11.7499 12.2694 12.2694 k = 0.5000 0.2514 0.3103 ( 3090 PWs) bands (ev): -17.3791 -17.3791 -4.2043 -4.2043 -2.6804 -2.6804 -2.2998 -2.2998 -0.8222 -0.8222 -0.4985 -0.4985 5.9074 5.9074 6.4131 6.4131 6.8509 6.8509 6.8605 6.8605 7.1853 7.1853 7.2566 7.2566 7.8279 7.8279 8.4183 8.4183 8.5781 8.5781 8.8556 8.8556 8.9494 8.9494 9.3778 9.3778 9.5486 9.5486 9.6556 9.6556 10.5679 10.5679 11.5106 11.5106 11.6449 11.6449 12.3493 12.3493 k = 0.5000 0.2514 0.2896 ( 3086 PWs) bands (ev): -17.3811 -17.3811 -4.1999 -4.1999 -2.6800 -2.6800 -2.2797 -2.2797 -0.8528 -0.8528 -0.5012 -0.5012 5.9001 5.9001 6.4315 6.4315 6.8507 6.8507 6.9136 6.9136 7.2118 7.2118 7.2423 7.2423 7.8165 7.8165 8.4084 8.4084 8.6204 8.6204 8.8754 8.8754 8.9678 8.9678 9.3913 9.3913 9.5327 9.5327 9.6425 9.6425 10.6413 10.6413 11.5094 11.5094 11.5504 11.5504 12.4355 12.4355 k = 0.5000 0.2514 0.2689 ( 3084 PWs) bands (ev): -17.3829 -17.3829 -4.1959 -4.1959 -2.6794 -2.6794 -2.2580 -2.2580 -0.8863 -0.8863 -0.5026 -0.5026 5.8939 5.8939 6.4506 6.4506 6.8486 6.8486 6.9676 6.9676 7.2042 7.2042 7.2606 7.2606 7.8059 7.8059 8.3967 8.3967 8.6633 8.6633 8.8947 8.8947 8.9877 8.9877 9.4036 9.4036 9.5141 9.5141 9.6295 9.6295 10.7140 10.7140 11.4369 11.4369 11.5226 11.5226 12.5249 12.5249 k = 0.5000 0.2514 0.2483 ( 3084 PWs) bands (ev): -17.3847 -17.3847 -4.1922 -4.1922 -2.6786 -2.6786 -2.2349 -2.2349 -0.9224 -0.9224 -0.5029 -0.5029 5.8887 5.8887 6.4705 6.4705 6.8465 6.8465 7.0197 7.0197 7.1824 7.1824 7.2917 7.2917 7.7960 7.7960 8.3835 8.3835 8.7066 8.7066 8.9129 8.9129 9.0091 9.0091 9.4141 9.4141 9.4939 9.4939 9.6166 9.6166 10.7857 10.7857 11.3448 11.3448 11.5118 11.5118 12.6130 12.6130 k = 0.5000 0.2514 0.2276 ( 3080 PWs) bands (ev): -17.3864 -17.3864 -4.1888 -4.1888 -2.6775 -2.6775 -2.2104 -2.2104 -0.9603 -0.9603 -0.5024 -0.5024 5.8844 5.8844 6.4915 6.4915 6.8443 6.8443 7.0680 7.0680 7.1602 7.1602 7.3234 7.3234 7.7870 7.7870 8.3689 8.3689 8.7500 8.7500 8.9296 8.9296 9.0324 9.0324 9.4213 9.4213 9.4744 9.4744 9.6037 9.6037 10.8558 10.8558 11.2565 11.2565 11.4972 11.4972 12.6935 12.6935 k = 0.5000 0.2514 0.2069 ( 3084 PWs) bands (ev): -17.3879 -17.3879 -4.1858 -4.1858 -2.6762 -2.6762 -2.1849 -2.1849 -0.9994 -0.9994 -0.5011 -0.5011 5.8807 5.8807 6.5135 6.5135 6.8423 6.8423 7.0994 7.0994 7.1511 7.1511 7.3545 7.3545 7.7788 7.7788 8.3531 8.3531 8.7928 8.7928 8.9447 8.9447 9.0573 9.0573 9.4198 9.4198 9.4615 9.4615 9.5904 9.5904 10.9235 10.9235 11.1738 11.1738 11.4793 11.4793 12.7586 12.7586 k = 0.5000 0.2514 0.1862 ( 3080 PWs) bands (ev): -17.3893 -17.3893 -4.1832 -4.1832 -2.6749 -2.6749 -2.1587 -2.1587 -1.0392 -1.0392 -0.4995 -0.4995 5.8778 5.8778 6.5367 6.5367 6.8405 6.8405 7.0880 7.0880 7.1810 7.1810 7.3847 7.3847 7.7714 7.7714 8.3364 8.3364 8.8347 8.8347 8.9581 8.9581 9.0837 9.0837 9.4049 9.4049 9.4607 9.4607 9.5766 9.5766 10.9869 10.9869 11.0985 11.0985 11.4595 11.4595 12.8003 12.8003 k = 0.5000 0.2514 0.1655 ( 3076 PWs) bands (ev): -17.3906 -17.3906 -4.1809 -4.1809 -2.6734 -2.6734 -2.1321 -2.1321 -1.0788 -1.0788 -0.4976 -0.4976 5.8754 5.8754 6.5611 6.5611 6.8388 6.8388 7.0616 7.0616 7.2216 7.2216 7.4136 7.4136 7.7649 7.7649 8.3190 8.3190 8.8752 8.8752 8.9701 8.9701 9.1112 9.1112 9.3838 9.3838 9.4656 9.4656 9.5619 9.5619 11.0141 11.0141 11.0624 11.0624 11.4391 11.4391 12.8150 12.8150 k = 0.5000 0.2514 0.1448 ( 3076 PWs) bands (ev): -17.3918 -17.3918 -4.1789 -4.1789 -2.6719 -2.6719 -2.1056 -2.1056 -1.1175 -1.1175 -0.4956 -0.4956 5.8734 5.8734 6.5866 6.5866 6.8372 6.8372 7.0321 7.0321 7.2607 7.2607 7.4413 7.4413 7.7593 7.7593 8.3013 8.3013 8.9136 8.9136 8.9807 8.9807 9.1390 9.1390 9.3618 9.3618 9.4718 9.4718 9.5461 9.5461 10.9579 10.9579 11.1122 11.1122 11.4194 11.4194 12.8064 12.8064 k = 0.5000 0.2514 0.1241 ( 3076 PWs) bands (ev): -17.3928 -17.3928 -4.1772 -4.1772 -2.6704 -2.6704 -2.0798 -2.0798 -1.1544 -1.1544 -0.4937 -0.4937 5.8719 5.8719 6.6133 6.6133 6.8359 6.8359 7.0013 7.0013 7.2960 7.2960 7.4674 7.4674 7.7546 7.7546 8.2837 8.2837 8.9490 8.9490 8.9907 8.9907 9.1661 9.1661 9.3411 9.3411 9.4776 9.4776 9.5291 9.5291 10.9028 10.9028 11.1628 11.1628 11.4014 11.4014 12.7826 12.7826 k = 0.5000 0.2514 0.1034 ( 3072 PWs) bands (ev): -17.3936 -17.3936 -4.1759 -4.1759 -2.6691 -2.6691 -2.0553 -2.0553 -1.1886 -1.1886 -0.4918 -0.4918 5.8708 5.8708 6.6409 6.6409 6.8346 6.8346 6.9698 6.9698 7.3265 7.3265 7.4916 7.4916 7.7507 7.7507 8.2668 8.2668 8.9781 8.9781 9.0030 9.0030 9.1907 9.1907 9.3239 9.3239 9.4828 9.4828 9.5110 9.5110 10.8548 10.8548 11.2071 11.2071 11.3862 11.3862 12.7517 12.7517 k = 0.5000 0.2514 0.0828 ( 3068 PWs) bands (ev): -17.3943 -17.3943 -4.1748 -4.1748 -2.6679 -2.6679 -2.0332 -2.0332 -1.2190 -1.2190 -0.4902 -0.4902 5.8698 5.8698 6.6693 6.6693 6.8335 6.8335 6.9382 6.9382 7.3518 7.3518 7.5132 7.5132 7.7477 7.7477 8.2513 8.2513 8.9940 8.9940 9.0242 9.0242 9.2092 9.2092 9.3137 9.3137 9.4872 9.4872 9.4917 9.4917 10.8150 10.8150 11.2432 11.2432 11.3751 11.3751 12.7200 12.7200 k = 0.5000 0.2514 0.0621 ( 3066 PWs) bands (ev): -17.3949 -17.3949 -4.1739 -4.1739 -2.6669 -2.6669 -2.0143 -2.0143 -1.2445 -1.2445 -0.4889 -0.4889 5.8692 5.8692 6.6982 6.6982 6.8323 6.8323 6.9069 6.9069 7.3715 7.3715 7.5314 7.5314 7.7455 7.7455 8.2380 8.2380 9.0012 9.0012 9.0490 9.0490 9.2168 9.2168 9.3148 9.3148 9.4717 9.4717 9.4907 9.4907 10.7836 10.7836 11.2692 11.2692 11.3692 11.3692 12.6919 12.6919 k = 0.5000 0.2514 0.0414 ( 3058 PWs) bands (ev): -17.3952 -17.3952 -4.1733 -4.1733 -2.6662 -2.6662 -1.9998 -1.9998 -1.2638 -1.2638 -0.4879 -0.4879 5.8688 5.8688 6.7267 6.7267 6.8306 6.8306 6.8775 6.8775 7.3855 7.3855 7.5454 7.5454 7.7441 7.7441 8.2278 8.2278 9.0053 9.0053 9.0709 9.0709 9.2141 9.2141 9.3264 9.3264 9.4521 9.4521 9.4933 9.4933 10.7611 10.7611 11.2845 11.2845 11.3687 11.3687 12.6702 12.6702 k = 0.5000 0.2514 0.0207 ( 3046 PWs) bands (ev): -17.3955 -17.3955 -4.1730 -4.1730 -2.6658 -2.6658 -1.9906 -1.9906 -1.2759 -1.2759 -0.4873 -0.4873 5.8686 5.8686 6.7525 6.7525 6.8264 6.8264 6.8544 6.8544 7.3939 7.3939 7.5542 7.5542 7.7433 7.7433 8.2213 8.2213 9.0077 9.0077 9.0863 9.0863 9.2079 9.2079 9.3408 9.3408 9.4357 9.4357 9.4948 9.4948 10.7474 10.7474 11.2913 11.2913 11.3710 11.3710 12.6565 12.6565 k = 0.5000 0.2514 0.0000 ( 3046 PWs) bands (ev): -17.3956 -17.3956 -4.1729 -4.1729 -2.6656 -2.6656 -1.9874 -1.9874 -1.2800 -1.2800 -0.4871 -0.4871 5.8685 5.8685 6.7655 6.7655 6.8207 6.8207 6.8464 6.8464 7.3967 7.3967 7.5572 7.5572 7.7431 7.7431 8.2190 8.2190 9.0083 9.0083 9.0921 9.0921 9.2049 9.2049 9.3477 9.3477 9.4284 9.4284 9.4953 9.4953 10.7429 10.7429 11.2930 11.2930 11.3724 11.3724 12.6518 12.6518 k = 0.0000 0.0000 1.1130 ( 3140 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1845 -2.1845 -1.1888 -1.1888 -0.2268 -0.2268 4.8908 4.8908 5.4461 5.4461 6.1158 6.1158 6.8513 6.8513 7.4031 7.4031 7.9492 7.9492 8.0784 8.0784 8.1502 8.1502 8.3023 8.3023 8.7082 8.7082 8.7849 8.7849 8.8006 8.8006 9.0675 9.0675 9.3412 9.3412 9.5985 9.5985 9.6424 9.6424 13.2345 13.2345 14.2730 14.2730 k = 0.0179 0.0090 1.1130 ( 3138 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1845 -2.1845 -1.1887 -1.1887 -0.2269 -0.2269 4.8921 4.8921 5.4437 5.4437 6.1163 6.1163 6.8538 6.8538 7.4019 7.4019 7.9491 7.9491 8.0786 8.0786 8.1501 8.1501 8.3024 8.3024 8.7089 8.7089 8.7849 8.7849 8.8008 8.8008 9.0663 9.0663 9.3393 9.3393 9.5987 9.5987 9.6424 9.6424 13.2419 13.2419 14.2742 14.2742 k = 0.0357 0.0180 1.1130 ( 3136 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1845 -2.1845 -1.1885 -1.1885 -0.2272 -0.2272 4.8960 4.8960 5.4363 5.4363 6.1176 6.1176 6.8614 6.8614 7.3983 7.3983 7.9488 7.9488 8.0792 8.0792 8.1493 8.1493 8.3025 8.3025 8.7110 8.7110 8.7848 8.7848 8.8015 8.8015 9.0629 9.0629 9.3338 9.3338 9.5993 9.5993 9.6423 9.6423 13.2640 13.2640 14.2780 14.2780 k = 0.0536 0.0269 1.1130 ( 3128 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1846 -2.1846 -1.1881 -1.1881 -0.2276 -0.2276 4.9024 4.9024 5.4243 5.4243 6.1198 6.1198 6.8738 6.8738 7.3922 7.3922 7.9481 7.9481 8.0801 8.0801 8.1481 8.1481 8.3028 8.3028 8.7144 8.7144 8.7848 8.7848 8.8026 8.8026 9.0572 9.0572 9.3250 9.3250 9.6003 9.6003 9.6424 9.6424 13.3004 13.3004 14.2842 14.2842 k = 0.0714 0.0359 1.1130 ( 3128 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1848 -2.1848 -1.1875 -1.1875 -0.2282 -0.2282 4.9114 4.9114 5.4081 5.4081 6.1228 6.1228 6.8905 6.8905 7.3838 7.3838 7.9473 7.9473 8.0815 8.0815 8.1464 8.1464 8.3031 8.3031 8.7189 8.7189 8.7845 8.7845 8.8043 8.8043 9.0494 9.0494 9.3134 9.3134 9.6015 9.6015 9.6423 9.6423 13.3507 13.3507 14.2928 14.2928 k = 0.0893 0.0449 1.1130 ( 3124 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1849 -2.1849 -1.1869 -1.1869 -0.2289 -0.2289 4.9229 4.9229 5.3882 5.3882 6.1263 6.1263 6.9111 6.9111 7.3730 7.3730 7.9463 7.9463 8.0833 8.0833 8.1444 8.1444 8.3034 8.3034 8.7244 8.7244 8.7842 8.7842 8.8068 8.8068 9.0395 9.0395 9.2997 9.2997 9.6030 9.6030 9.6423 9.6423 13.4140 13.4140 14.3038 14.3038 k = 0.1071 0.0539 1.1130 ( 3128 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1851 -2.1851 -1.1862 -1.1862 -0.2297 -0.2297 4.9367 4.9367 5.3651 5.3651 6.1302 6.1302 6.9348 6.9348 7.3599 7.3599 7.9450 7.9450 8.0855 8.0855 8.1420 8.1420 8.3038 8.3038 8.7305 8.7305 8.7839 8.7839 8.8100 8.8100 9.0279 9.0279 9.2847 9.2847 9.6045 9.6045 9.6422 9.6422 13.4895 13.4895 14.3171 14.3171 k = 0.1250 0.0629 1.1130 ( 3128 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1852 -2.1852 -1.1855 -1.1855 -0.2305 -0.2305 4.9528 4.9528 5.3395 5.3395 6.1343 6.1343 6.9611 6.9611 7.3446 7.3446 7.9438 7.9438 8.0879 8.0879 8.1392 8.1392 8.3042 8.3042 8.7370 8.7370 8.7835 8.7835 8.8146 8.8146 9.0145 9.0145 9.2692 9.2692 9.6060 9.6060 9.6421 9.6421 13.5763 13.5763 14.3325 14.3325 k = 0.1429 0.0718 1.1130 ( 3120 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1854 -2.1854 -1.1847 -1.1847 -0.2314 -0.2314 4.9711 4.9711 5.3119 5.3119 6.1385 6.1385 6.9894 6.9894 7.3272 7.3272 7.9425 7.9425 8.0906 8.0906 8.1363 8.1363 8.3047 8.3047 8.7434 8.7434 8.7830 8.7830 8.8208 8.8208 8.9998 8.9998 9.2540 9.2540 9.6074 9.6074 9.6421 9.6421 13.6730 13.6730 14.3498 14.3498 k = 0.1607 0.0808 1.1130 ( 3116 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1856 -2.1856 -1.1840 -1.1840 -0.2321 -0.2321 4.9913 4.9913 5.2830 5.2830 6.1425 6.1425 7.0188 7.0188 7.3078 7.3078 7.9412 7.9412 8.0936 8.0936 8.1330 8.1330 8.3052 8.3052 8.7492 8.7492 8.7826 8.7826 8.8288 8.8288 8.9839 8.9839 9.2397 9.2397 9.6087 9.6087 9.6420 9.6420 13.7784 13.7784 14.3688 14.3688 k = 0.1786 0.0898 1.1130 ( 3116 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1857 -2.1857 -1.1833 -1.1833 -0.2329 -0.2329 5.0133 5.0133 5.2534 5.2534 6.1461 6.1461 7.0488 7.0488 7.2867 7.2867 7.9400 7.9400 8.0969 8.0969 8.1295 8.1295 8.3056 8.3056 8.7541 8.7541 8.7821 8.7821 8.8389 8.8389 8.9670 8.9670 9.2272 9.2272 9.6098 9.6098 9.6419 9.6419 13.8905 13.8905 14.3890 14.3890 k = 0.1964 0.0988 1.1130 ( 3114 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1859 -2.1859 -1.1828 -1.1828 -0.2334 -0.2334 5.0367 5.0367 5.2239 5.2239 6.1491 6.1491 7.0786 7.0786 7.2642 7.2642 7.9389 7.9389 8.1002 8.1002 8.1259 8.1259 8.3060 8.3060 8.7580 8.7580 8.7817 8.7817 8.8510 8.8510 8.9495 8.9495 9.2168 9.2168 9.6107 9.6107 9.6419 9.6419 14.0065 14.0065 14.4095 14.4095 k = 0.2143 0.1077 1.1130 ( 3108 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1860 -2.1860 -1.1824 -1.1824 -0.2339 -0.2339 5.0606 5.0606 5.1954 5.1954 6.1514 6.1514 7.1070 7.1070 7.2413 7.2413 7.9382 7.9382 8.1035 8.1035 8.1224 8.1224 8.3064 8.3064 8.7608 8.7608 8.7812 8.7812 8.8649 8.8649 8.9317 8.9317 9.2091 9.2091 9.6113 9.6113 9.6419 9.6419 14.1209 14.1209 14.4283 14.4283 k = 0.2321 0.1167 1.1130 ( 3116 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1860 -2.1860 -1.1821 -1.1821 -0.2342 -0.2342 5.0827 5.0827 5.1704 5.1704 6.1528 6.1528 7.1310 7.1310 7.2206 7.2206 7.9376 7.9376 8.1067 8.1067 8.1191 8.1191 8.3066 8.3066 8.7625 8.7625 8.7807 8.7807 8.8803 8.8803 8.9140 8.9140 9.2043 9.2043 9.6116 9.6116 9.6419 9.6419 14.2194 14.2194 14.4414 14.4414 k = 0.2500 0.1257 1.1130 ( 3108 PWs) bands (ev): -17.3072 -17.3072 -4.3075 -4.3075 -2.5987 -2.5987 -2.1860 -2.1860 -1.1820 -1.1820 -0.2342 -0.2342 5.0943 5.0943 5.1579 5.1579 6.1533 6.1533 7.1418 7.1418 7.2110 7.2110 7.9375 7.9375 8.1086 8.1086 8.1172 8.1172 8.3068 8.3068 8.7633 8.7633 8.7804 8.7804 8.8960 8.8960 8.8976 8.8976 9.2028 9.2028 9.6117 9.6117 9.6420 9.6420 14.2643 14.2643 14.4449 14.4449 Writing output data file BaxNiAsx2.save init_run : 2.08s CPU 2.19s WALL ( 1 calls) electrons : 183.41s CPU 185.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 183.41s CPU 185.80s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 340 calls) cegterg : 164.96s CPU 166.80s WALL ( 395 calls) Called by sum_band: Called by *egterg: h_psi : 119.52s CPU 121.14s WALL ( 6455 calls) s_psi : 4.45s CPU 4.32s WALL ( 6455 calls) g_psi : 0.20s CPU 0.17s WALL ( 5720 calls) cdiaghg : 43.70s CPU 44.30s WALL ( 6060 calls) cegterg:over : 4.30s CPU 4.38s WALL ( 5720 calls) cegterg:upda : 3.43s CPU 3.46s WALL ( 5720 calls) cegterg:last : 1.96s CPU 1.95s WALL ( 1187 calls) cdiaghg:chol : 2.36s CPU 2.49s WALL ( 6060 calls) cdiaghg:inve : 1.80s CPU 1.70s WALL ( 6060 calls) cdiaghg:para : 2.66s CPU 2.69s WALL ( 12120 calls) Called by h_psi: h_psi:vloc : 110.55s CPU 111.92s WALL ( 6455 calls) h_psi:vnl : 8.81s CPU 9.05s WALL ( 6455 calls) add_vuspsi : 4.34s CPU 4.65s WALL ( 6455 calls) General routines calbec : 4.46s CPU 4.38s WALL ( 6455 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.99s CPU 105.48s WALL ( 750212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 680 calls) Parallel routines fft_scatter : 29.46s CPU 29.71s WALL ( 750235 calls) PWSCF : 3m19.83s CPU 3m41.82s WALL This run was terminated on: 19:41:20 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=