Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:10:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LaAu.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 26 7 2191 702 109 Max 56 27 8 2196 723 116 Sum 2665 1259 369 105275 34099 5399 bravais-lattice index = 14 lattice parameter (alat) = 11.2213 a.u. unit-cell volume = 713.5255 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.221317 celldm(2)= 1.000000 celldm(3)= 0.804976 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.778755 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.778755 0.627329 0.000000 ) a(3) = ( 0.000000 0.000000 0.804976 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.241382 -0.000000 ) b(2) = ( 0.000000 1.594061 -0.000000 ) b(3) = ( 0.000000 0.000000 1.242273 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 La 3.00 138.90550 La( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4024880 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4024880 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0062466 0.0177118 -0.0000000), wk = 0.0025510 k( 3) = ( 0.0124931 0.0354236 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0187397 0.0531354 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0249863 0.0708471 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0312328 0.0885589 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0374794 0.1062707 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0437260 0.1239825 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0499725 0.1416943 -0.0000000), wk = 0.0025510 k( 10) = ( 0.0562191 0.1594061 -0.0000000), wk = 0.0025510 k( 11) = ( 0.0624657 0.1771179 -0.0000000), wk = 0.0025510 k( 12) = ( 0.0687122 0.1948296 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0749588 0.2125414 -0.0000000), wk = 0.0025510 k( 14) = ( 0.0812054 0.2302532 -0.0000000), wk = 0.0025510 k( 15) = ( 0.0874520 0.2479650 -0.0000000), wk = 0.0025510 k( 16) = ( 0.0936985 0.2656768 -0.0000000), wk = 0.0025510 k( 17) = ( 0.0999451 0.2833886 -0.0000000), wk = 0.0025510 k( 18) = ( 0.1061916 0.3011004 -0.0000000), wk = 0.0025510 k( 19) = ( 0.1124382 0.3188122 -0.0000000), wk = 0.0025510 k( 20) = ( 0.1186848 0.3365240 -0.0000000), wk = 0.0025510 k( 21) = ( 0.1249313 0.3542357 -0.0000000), wk = 0.0025510 k( 22) = ( 0.1311779 0.3719475 -0.0000000), wk = 0.0025510 k( 23) = ( 0.1374245 0.3896593 -0.0000000), wk = 0.0025510 k( 24) = ( 0.1436711 0.4073711 -0.0000000), wk = 0.0025510 k( 25) = ( 0.1499176 0.4250829 -0.0000000), wk = 0.0025510 k( 26) = ( 0.1561642 0.4427947 -0.0000000), wk = 0.0025510 k( 27) = ( 0.1624108 0.4605065 -0.0000000), wk = 0.0025510 k( 28) = ( 0.1686573 0.4782183 -0.0000000), wk = 0.0025510 k( 29) = ( 0.1749039 0.4959300 -0.0000000), wk = 0.0025510 k( 30) = ( 0.1811505 0.5136418 -0.0000000), wk = 0.0025510 k( 31) = ( 0.1873970 0.5313536 -0.0000000), wk = 0.0025510 k( 32) = ( 0.1936436 0.5490654 -0.0000000), wk = 0.0025510 k( 33) = ( 0.1998902 0.5667772 -0.0000000), wk = 0.0025510 k( 34) = ( 0.2061367 0.5844890 -0.0000000), wk = 0.0025510 k( 35) = ( 0.2123833 0.6022007 -0.0000000), wk = 0.0025510 k( 36) = ( 0.2186299 0.6199125 -0.0000000), wk = 0.0025510 k( 37) = ( 0.2248764 0.6376243 -0.0000000), wk = 0.0025510 k( 38) = ( 0.2311230 0.6553361 -0.0000000), wk = 0.0025510 k( 39) = ( 0.2373696 0.6730479 -0.0000000), wk = 0.0025510 k( 40) = ( 0.2436161 0.6907597 -0.0000000), wk = 0.0025510 k( 41) = ( 0.2498627 0.7084715 -0.0000000), wk = 0.0025510 k( 42) = ( 0.2561093 0.7261832 -0.0000000), wk = 0.0025510 k( 43) = ( 0.2623558 0.7438950 -0.0000000), wk = 0.0025510 k( 44) = ( 0.2686024 0.7616068 -0.0000000), wk = 0.0025510 k( 45) = ( 0.2748490 0.7793186 -0.0000000), wk = 0.0025510 k( 46) = ( 0.2810955 0.7970304 -0.0000000), wk = 0.0025510 k( 47) = ( 0.2810955 0.7970304 -0.0000000), wk = 0.0025510 k( 48) = ( 0.2623558 0.7970304 -0.0000000), wk = 0.0025510 k( 49) = ( 0.2436161 0.7970304 -0.0000000), wk = 0.0025510 k( 50) = ( 0.2248764 0.7970304 -0.0000000), wk = 0.0025510 k( 51) = ( 0.2061367 0.7970304 -0.0000000), wk = 0.0025510 k( 52) = ( 0.1873970 0.7970304 -0.0000000), wk = 0.0025510 k( 53) = ( 0.1686573 0.7970304 -0.0000000), wk = 0.0025510 k( 54) = ( 0.1499176 0.7970304 -0.0000000), wk = 0.0025510 k( 55) = ( 0.1311779 0.7970304 -0.0000000), wk = 0.0025510 k( 56) = ( 0.1124382 0.7970304 -0.0000000), wk = 0.0025510 k( 57) = ( 0.0936985 0.7970304 -0.0000000), wk = 0.0025510 k( 58) = ( 0.0749588 0.7970304 -0.0000000), wk = 0.0025510 k( 59) = ( 0.0562191 0.7970304 -0.0000000), wk = 0.0025510 k( 60) = ( 0.0374794 0.7970304 -0.0000000), wk = 0.0025510 k( 61) = ( 0.0187397 0.7970304 -0.0000000), wk = 0.0025510 k( 62) = ( 0.0000000 0.7970304 -0.0000000), wk = 0.0025510 k( 63) = ( 0.0000000 0.7970304 -0.0000000), wk = 0.0025510 k( 64) = ( 0.0000000 0.7970304 0.0188223), wk = 0.0025510 k( 65) = ( 0.0000000 0.7970304 0.0376446), wk = 0.0025510 k( 66) = ( 0.0000000 0.7970304 0.0564670), wk = 0.0025510 k( 67) = ( 0.0000000 0.7970304 0.0752893), wk = 0.0025510 k( 68) = ( 0.0000000 0.7970304 0.0941116), wk = 0.0025510 k( 69) = ( 0.0000000 0.7970304 0.1129339), wk = 0.0025510 k( 70) = ( 0.0000000 0.7970304 0.1317563), wk = 0.0025510 k( 71) = ( 0.0000000 0.7970304 0.1505786), wk = 0.0025510 k( 72) = ( 0.0000000 0.7970304 0.1694009), wk = 0.0025510 k( 73) = ( 0.0000000 0.7970304 0.1882232), wk = 0.0025510 k( 74) = ( 0.0000000 0.7970304 0.2070455), wk = 0.0025510 k( 75) = ( 0.0000000 0.7970304 0.2258678), wk = 0.0025510 k( 76) = ( 0.0000000 0.7970304 0.2446902), wk = 0.0025510 k( 77) = ( 0.0000000 0.7970304 0.2635125), wk = 0.0025510 k( 78) = ( 0.0000000 0.7970304 0.2823348), wk = 0.0025510 k( 79) = ( 0.0000000 0.7970304 0.3011571), wk = 0.0025510 k( 80) = ( 0.0000000 0.7970304 0.3199795), wk = 0.0025510 k( 81) = ( 0.0000000 0.7970304 0.3388018), wk = 0.0025510 k( 82) = ( 0.0000000 0.7970304 0.3576241), wk = 0.0025510 k( 83) = ( 0.0000000 0.7970304 0.3764464), wk = 0.0025510 k( 84) = ( 0.0000000 0.7970304 0.3952687), wk = 0.0025510 k( 85) = ( 0.0000000 0.7970304 0.4140911), wk = 0.0025510 k( 86) = ( 0.0000000 0.7970304 0.4329134), wk = 0.0025510 k( 87) = ( 0.0000000 0.7970304 0.4517357), wk = 0.0025510 k( 88) = ( 0.0000000 0.7970304 0.4705580), wk = 0.0025510 k( 89) = ( 0.0000000 0.7970304 0.4893803), wk = 0.0025510 k( 90) = ( 0.0000000 0.7970304 0.5082027), wk = 0.0025510 k( 91) = ( 0.0000000 0.7970304 0.5270250), wk = 0.0025510 k( 92) = ( 0.0000000 0.7970304 0.5458473), wk = 0.0025510 k( 93) = ( 0.0000000 0.7970304 0.5646696), wk = 0.0025510 k( 94) = ( 0.0000000 0.7970304 0.5834919), wk = 0.0025510 k( 95) = ( 0.0000000 0.7970304 0.6023143), wk = 0.0025510 k( 96) = ( 0.0000000 0.7970304 0.6211366), wk = 0.0025510 k( 97) = ( 0.0000000 0.7970304 0.6211366), wk = 0.0025510 k( 98) = ( 0.0187397 0.7970304 0.6211366), wk = 0.0025510 k( 99) = ( 0.0374794 0.7970304 0.6211366), wk = 0.0025510 k( 100) = ( 0.0562191 0.7970304 0.6211366), wk = 0.0025510 k( 101) = ( 0.0749588 0.7970304 0.6211366), wk = 0.0025510 k( 102) = ( 0.0936985 0.7970304 0.6211366), wk = 0.0025510 k( 103) = ( 0.1124382 0.7970304 0.6211366), wk = 0.0025510 k( 104) = ( 0.1311779 0.7970304 0.6211366), wk = 0.0025510 k( 105) = ( 0.1499176 0.7970304 0.6211366), wk = 0.0025510 k( 106) = ( 0.1686573 0.7970304 0.6211366), wk = 0.0025510 k( 107) = ( 0.1873970 0.7970304 0.6211366), wk = 0.0025510 k( 108) = ( 0.2061367 0.7970304 0.6211366), wk = 0.0025510 k( 109) = ( 0.2248764 0.7970304 0.6211366), wk = 0.0025510 k( 110) = ( 0.2436161 0.7970304 0.6211366), wk = 0.0025510 k( 111) = ( 0.2623558 0.7970304 0.6211366), wk = 0.0025510 k( 112) = ( 0.2810955 0.7970304 0.6211366), wk = 0.0025510 k( 113) = ( 0.2810955 0.7970304 0.6211366), wk = 0.0025510 k( 114) = ( 0.2748490 0.7793186 0.6211366), wk = 0.0025510 k( 115) = ( 0.2686024 0.7616068 0.6211366), wk = 0.0025510 k( 116) = ( 0.2623558 0.7438950 0.6211366), wk = 0.0025510 k( 117) = ( 0.2561093 0.7261832 0.6211366), wk = 0.0025510 k( 118) = ( 0.2498627 0.7084715 0.6211366), wk = 0.0025510 k( 119) = ( 0.2436161 0.6907597 0.6211366), wk = 0.0025510 k( 120) = ( 0.2373696 0.6730479 0.6211366), wk = 0.0025510 k( 121) = ( 0.2311230 0.6553361 0.6211366), wk = 0.0025510 k( 122) = ( 0.2248764 0.6376243 0.6211366), wk = 0.0025510 k( 123) = ( 0.2186299 0.6199125 0.6211366), wk = 0.0025510 k( 124) = ( 0.2123833 0.6022007 0.6211366), wk = 0.0025510 k( 125) = ( 0.2061367 0.5844890 0.6211366), wk = 0.0025510 k( 126) = ( 0.1998902 0.5667772 0.6211366), wk = 0.0025510 k( 127) = ( 0.1936436 0.5490654 0.6211366), wk = 0.0025510 k( 128) = ( 0.1873970 0.5313536 0.6211366), wk = 0.0025510 k( 129) = ( 0.1811505 0.5136418 0.6211366), wk = 0.0025510 k( 130) = ( 0.1749039 0.4959300 0.6211366), wk = 0.0025510 k( 131) = ( 0.1686573 0.4782183 0.6211366), wk = 0.0025510 k( 132) = ( 0.1624108 0.4605065 0.6211366), wk = 0.0025510 k( 133) = ( 0.1561642 0.4427947 0.6211366), wk = 0.0025510 k( 134) = ( 0.1499176 0.4250829 0.6211366), wk = 0.0025510 k( 135) = ( 0.1436711 0.4073711 0.6211366), wk = 0.0025510 k( 136) = ( 0.1374245 0.3896593 0.6211366), wk = 0.0025510 k( 137) = ( 0.1311779 0.3719475 0.6211366), wk = 0.0025510 k( 138) = ( 0.1249313 0.3542357 0.6211366), wk = 0.0025510 k( 139) = ( 0.1186848 0.3365240 0.6211366), wk = 0.0025510 k( 140) = ( 0.1124382 0.3188122 0.6211366), wk = 0.0025510 k( 141) = ( 0.1061916 0.3011004 0.6211366), wk = 0.0025510 k( 142) = ( 0.0999451 0.2833886 0.6211366), wk = 0.0025510 k( 143) = ( 0.0936985 0.2656768 0.6211366), wk = 0.0025510 k( 144) = ( 0.0874520 0.2479650 0.6211366), wk = 0.0025510 k( 145) = ( 0.0812054 0.2302532 0.6211366), wk = 0.0025510 k( 146) = ( 0.0749588 0.2125414 0.6211366), wk = 0.0025510 k( 147) = ( 0.0687122 0.1948296 0.6211366), wk = 0.0025510 k( 148) = ( 0.0624657 0.1771179 0.6211366), wk = 0.0025510 k( 149) = ( 0.0562191 0.1594061 0.6211366), wk = 0.0025510 k( 150) = ( 0.0499725 0.1416943 0.6211366), wk = 0.0025510 k( 151) = ( 0.0437260 0.1239825 0.6211366), wk = 0.0025510 k( 152) = ( 0.0374794 0.1062707 0.6211366), wk = 0.0025510 k( 153) = ( 0.0312328 0.0885589 0.6211366), wk = 0.0025510 k( 154) = ( 0.0249863 0.0708471 0.6211366), wk = 0.0025510 k( 155) = ( 0.0187397 0.0531354 0.6211366), wk = 0.0025510 k( 156) = ( 0.0124931 0.0354236 0.6211366), wk = 0.0025510 k( 157) = ( 0.0062466 0.0177118 0.6211366), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.6211366), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.6211366), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.6023143), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.5834919), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.5646696), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.5458473), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.5270250), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.5082027), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.4893803), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.4705580), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.4517357), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.4329134), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.4140911), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.3952687), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.3764464), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.3576241), wk = 0.0025510 k( 174) = ( 0.0000000 0.0000000 0.3388018), wk = 0.0025510 k( 175) = ( 0.0000000 0.0000000 0.3199795), wk = 0.0025510 k( 176) = ( 0.0000000 0.0000000 0.3011571), wk = 0.0025510 k( 177) = ( 0.0000000 0.0000000 0.2823348), wk = 0.0025510 k( 178) = ( 0.0000000 0.0000000 0.2635125), wk = 0.0025510 k( 179) = ( 0.0000000 0.0000000 0.2446902), wk = 0.0025510 k( 180) = ( 0.0000000 0.0000000 0.2258678), wk = 0.0025510 k( 181) = ( 0.0000000 0.0000000 0.2070455), wk = 0.0025510 k( 182) = ( 0.0000000 0.0000000 0.1882232), wk = 0.0025510 k( 183) = ( 0.0000000 0.0000000 0.1694009), wk = 0.0025510 k( 184) = ( 0.0000000 0.0000000 0.1505786), wk = 0.0025510 k( 185) = ( 0.0000000 0.0000000 0.1317563), wk = 0.0025510 k( 186) = ( 0.0000000 0.0000000 0.1129339), wk = 0.0025510 k( 187) = ( 0.0000000 0.0000000 0.0941116), wk = 0.0025510 k( 188) = ( 0.0000000 0.0000000 0.0752893), wk = 0.0025510 k( 189) = ( 0.0000000 0.0000000 0.0564670), wk = 0.0025510 k( 190) = ( 0.0000000 0.0000000 0.0376446), wk = 0.0025510 k( 191) = ( 0.0000000 0.0000000 0.0188223), wk = 0.0025510 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 194) = ( -0.0172414 0.0060807 -0.0000000), wk = 0.0025510 k( 195) = ( -0.0344828 0.0121613 -0.0000000), wk = 0.0025510 k( 196) = ( -0.0517241 0.0182420 -0.0000000), wk = 0.0025510 k( 197) = ( -0.0689655 0.0243227 -0.0000000), wk = 0.0025510 k( 198) = ( -0.0862069 0.0304033 -0.0000000), wk = 0.0025510 k( 199) = ( -0.1034483 0.0364840 -0.0000000), wk = 0.0025510 k( 200) = ( -0.1206897 0.0425647 -0.0000000), wk = 0.0025510 k( 201) = ( -0.1379310 0.0486453 -0.0000000), wk = 0.0025510 k( 202) = ( -0.1551724 0.0547260 -0.0000000), wk = 0.0025510 k( 203) = ( -0.1724138 0.0608066 -0.0000000), wk = 0.0025510 k( 204) = ( -0.1896552 0.0668873 -0.0000000), wk = 0.0025510 k( 205) = ( -0.2068966 0.0729680 -0.0000000), wk = 0.0025510 k( 206) = ( -0.2241379 0.0790486 -0.0000000), wk = 0.0025510 k( 207) = ( -0.2413793 0.0851293 -0.0000000), wk = 0.0025510 k( 208) = ( -0.2586207 0.0912100 -0.0000000), wk = 0.0025510 k( 209) = ( -0.2758621 0.0972906 -0.0000000), wk = 0.0025510 k( 210) = ( -0.2931034 0.1033713 -0.0000000), wk = 0.0025510 k( 211) = ( -0.3103448 0.1094520 -0.0000000), wk = 0.0025510 k( 212) = ( -0.3275862 0.1155326 -0.0000000), wk = 0.0025510 k( 213) = ( -0.3448276 0.1216133 -0.0000000), wk = 0.0025510 k( 214) = ( -0.3620690 0.1276940 -0.0000000), wk = 0.0025510 k( 215) = ( -0.3793103 0.1337746 -0.0000000), wk = 0.0025510 k( 216) = ( -0.3965517 0.1398553 -0.0000000), wk = 0.0025510 k( 217) = ( -0.4137931 0.1459360 -0.0000000), wk = 0.0025510 k( 218) = ( -0.4310345 0.1520166 -0.0000000), wk = 0.0025510 k( 219) = ( -0.4482759 0.1580973 -0.0000000), wk = 0.0025510 k( 220) = ( -0.4655172 0.1641780 -0.0000000), wk = 0.0025510 k( 221) = ( -0.4827586 0.1702586 -0.0000000), wk = 0.0025510 k( 222) = ( -0.5000000 0.1763393 -0.0000000), wk = 0.0025510 k( 223) = ( -0.5000000 0.1763393 -0.0000000), wk = 0.0025510 k( 224) = ( -0.4937456 0.1940733 -0.0000000), wk = 0.0025510 k( 225) = ( -0.4874912 0.2118074 -0.0000000), wk = 0.0025510 k( 226) = ( -0.4812368 0.2295414 -0.0000000), wk = 0.0025510 k( 227) = ( -0.4749823 0.2472754 -0.0000000), wk = 0.0025510 k( 228) = ( -0.4687279 0.2650095 -0.0000000), wk = 0.0025510 k( 229) = ( -0.4624735 0.2827435 -0.0000000), wk = 0.0025510 k( 230) = ( -0.4562191 0.3004775 -0.0000000), wk = 0.0025510 k( 231) = ( -0.4499647 0.3182115 -0.0000000), wk = 0.0025510 k( 232) = ( -0.4437103 0.3359456 -0.0000000), wk = 0.0025510 k( 233) = ( -0.4374559 0.3536796 -0.0000000), wk = 0.0025510 k( 234) = ( -0.4312015 0.3714136 -0.0000000), wk = 0.0025510 k( 235) = ( -0.4249470 0.3891477 -0.0000000), wk = 0.0025510 k( 236) = ( -0.4186926 0.4068817 -0.0000000), wk = 0.0025510 k( 237) = ( -0.4124382 0.4246157 -0.0000000), wk = 0.0025510 k( 238) = ( -0.4061838 0.4423498 -0.0000000), wk = 0.0025510 k( 239) = ( -0.3999294 0.4600838 -0.0000000), wk = 0.0025510 k( 240) = ( -0.3936750 0.4778178 -0.0000000), wk = 0.0025510 k( 241) = ( -0.3874206 0.4955518 -0.0000000), wk = 0.0025510 k( 242) = ( -0.3811661 0.5132859 -0.0000000), wk = 0.0025510 k( 243) = ( -0.3749117 0.5310199 -0.0000000), wk = 0.0025510 k( 244) = ( -0.3686573 0.5487539 -0.0000000), wk = 0.0025510 k( 245) = ( -0.3624029 0.5664880 -0.0000000), wk = 0.0025510 k( 246) = ( -0.3561485 0.5842220 -0.0000000), wk = 0.0025510 k( 247) = ( -0.3498941 0.6019560 -0.0000000), wk = 0.0025510 k( 248) = ( -0.3436397 0.6196901 -0.0000000), wk = 0.0025510 k( 249) = ( -0.3373853 0.6374241 -0.0000000), wk = 0.0025510 k( 250) = ( -0.3311308 0.6551581 -0.0000000), wk = 0.0025510 k( 251) = ( -0.3248764 0.6728922 -0.0000000), wk = 0.0025510 k( 252) = ( -0.3186220 0.6906262 -0.0000000), wk = 0.0025510 k( 253) = ( -0.3123676 0.7083602 -0.0000000), wk = 0.0025510 k( 254) = ( -0.3061132 0.7260943 -0.0000000), wk = 0.0025510 k( 255) = ( -0.2998588 0.7438283 -0.0000000), wk = 0.0025510 k( 256) = ( -0.2936044 0.7615623 -0.0000000), wk = 0.0025510 k( 257) = ( -0.2873500 0.7792964 -0.0000000), wk = 0.0025510 k( 258) = ( -0.2810955 0.7970304 -0.0000000), wk = 0.0025510 k( 259) = ( -0.2810955 0.7970304 -0.0000000), wk = 0.0025510 k( 260) = ( -0.2810955 0.7970304 0.0188223), wk = 0.0025510 k( 261) = ( -0.2810955 0.7970304 0.0376446), wk = 0.0025510 k( 262) = ( -0.2810955 0.7970304 0.0564670), wk = 0.0025510 k( 263) = ( -0.2810955 0.7970304 0.0752893), wk = 0.0025510 k( 264) = ( -0.2810955 0.7970304 0.0941116), wk = 0.0025510 k( 265) = ( -0.2810955 0.7970304 0.1129339), wk = 0.0025510 k( 266) = ( -0.2810955 0.7970304 0.1317563), wk = 0.0025510 k( 267) = ( -0.2810955 0.7970304 0.1505786), wk = 0.0025510 k( 268) = ( -0.2810955 0.7970304 0.1694009), wk = 0.0025510 k( 269) = ( -0.2810955 0.7970304 0.1882232), wk = 0.0025510 k( 270) = ( -0.2810955 0.7970304 0.2070455), wk = 0.0025510 k( 271) = ( -0.2810955 0.7970304 0.2258678), wk = 0.0025510 k( 272) = ( -0.2810955 0.7970304 0.2446902), wk = 0.0025510 k( 273) = ( -0.2810955 0.7970304 0.2635125), wk = 0.0025510 k( 274) = ( -0.2810955 0.7970304 0.2823348), wk = 0.0025510 k( 275) = ( -0.2810955 0.7970304 0.3011571), wk = 0.0025510 k( 276) = ( -0.2810955 0.7970304 0.3199795), wk = 0.0025510 k( 277) = ( -0.2810955 0.7970304 0.3388018), wk = 0.0025510 k( 278) = ( -0.2810955 0.7970304 0.3576241), wk = 0.0025510 k( 279) = ( -0.2810955 0.7970304 0.3764464), wk = 0.0025510 k( 280) = ( -0.2810955 0.7970304 0.3952687), wk = 0.0025510 k( 281) = ( -0.2810955 0.7970304 0.4140911), wk = 0.0025510 k( 282) = ( -0.2810955 0.7970304 0.4329134), wk = 0.0025510 k( 283) = ( -0.2810955 0.7970304 0.4517357), wk = 0.0025510 k( 284) = ( -0.2810955 0.7970304 0.4705580), wk = 0.0025510 k( 285) = ( -0.2810955 0.7970304 0.4893803), wk = 0.0025510 k( 286) = ( -0.2810955 0.7970304 0.5082027), wk = 0.0025510 k( 287) = ( -0.2810955 0.7970304 0.5270250), wk = 0.0025510 k( 288) = ( -0.2810955 0.7970304 0.5458473), wk = 0.0025510 k( 289) = ( -0.2810955 0.7970304 0.5646696), wk = 0.0025510 k( 290) = ( -0.2810955 0.7970304 0.5834919), wk = 0.0025510 k( 291) = ( -0.2810955 0.7970304 0.6023143), wk = 0.0025510 k( 292) = ( -0.2810955 0.7970304 0.6211366), wk = 0.0025510 k( 293) = ( -0.2810955 0.7970304 0.6211366), wk = 0.0025510 k( 294) = ( -0.2873500 0.7792964 0.6211366), wk = 0.0025510 k( 295) = ( -0.2936044 0.7615623 0.6211366), wk = 0.0025510 k( 296) = ( -0.2998588 0.7438283 0.6211366), wk = 0.0025510 k( 297) = ( -0.3061132 0.7260943 0.6211366), wk = 0.0025510 k( 298) = ( -0.3123676 0.7083602 0.6211366), wk = 0.0025510 k( 299) = ( -0.3186220 0.6906262 0.6211366), wk = 0.0025510 k( 300) = ( -0.3248764 0.6728922 0.6211366), wk = 0.0025510 k( 301) = ( -0.3311308 0.6551581 0.6211366), wk = 0.0025510 k( 302) = ( -0.3373853 0.6374241 0.6211366), wk = 0.0025510 k( 303) = ( -0.3436397 0.6196901 0.6211366), wk = 0.0025510 k( 304) = ( -0.3498941 0.6019560 0.6211366), wk = 0.0025510 k( 305) = ( -0.3561485 0.5842220 0.6211366), wk = 0.0025510 k( 306) = ( -0.3624029 0.5664880 0.6211366), wk = 0.0025510 k( 307) = ( -0.3686573 0.5487539 0.6211366), wk = 0.0025510 k( 308) = ( -0.3749117 0.5310199 0.6211366), wk = 0.0025510 k( 309) = ( -0.3811661 0.5132859 0.6211366), wk = 0.0025510 k( 310) = ( -0.3874206 0.4955518 0.6211366), wk = 0.0025510 k( 311) = ( -0.3936750 0.4778178 0.6211366), wk = 0.0025510 k( 312) = ( -0.3999294 0.4600838 0.6211366), wk = 0.0025510 k( 313) = ( -0.4061838 0.4423498 0.6211366), wk = 0.0025510 k( 314) = ( -0.4124382 0.4246157 0.6211366), wk = 0.0025510 k( 315) = ( -0.4186926 0.4068817 0.6211366), wk = 0.0025510 k( 316) = ( -0.4249470 0.3891477 0.6211366), wk = 0.0025510 k( 317) = ( -0.4312015 0.3714136 0.6211366), wk = 0.0025510 k( 318) = ( -0.4374559 0.3536796 0.6211366), wk = 0.0025510 k( 319) = ( -0.4437103 0.3359456 0.6211366), wk = 0.0025510 k( 320) = ( -0.4499647 0.3182115 0.6211366), wk = 0.0025510 k( 321) = ( -0.4562191 0.3004775 0.6211366), wk = 0.0025510 k( 322) = ( -0.4624735 0.2827435 0.6211366), wk = 0.0025510 k( 323) = ( -0.4687279 0.2650095 0.6211366), wk = 0.0025510 k( 324) = ( -0.4749823 0.2472754 0.6211366), wk = 0.0025510 k( 325) = ( -0.4812368 0.2295414 0.6211366), wk = 0.0025510 k( 326) = ( -0.4874912 0.2118074 0.6211366), wk = 0.0025510 k( 327) = ( -0.4937456 0.1940733 0.6211366), wk = 0.0025510 k( 328) = ( -0.5000000 0.1763393 0.6211366), wk = 0.0025510 k( 329) = ( -0.5000000 0.1763393 0.6211366), wk = 0.0025510 k( 330) = ( -0.5000000 0.1763393 0.6023143), wk = 0.0025510 k( 331) = ( -0.5000000 0.1763393 0.5834919), wk = 0.0025510 k( 332) = ( -0.5000000 0.1763393 0.5646696), wk = 0.0025510 k( 333) = ( -0.5000000 0.1763393 0.5458473), wk = 0.0025510 k( 334) = ( -0.5000000 0.1763393 0.5270250), wk = 0.0025510 k( 335) = ( -0.5000000 0.1763393 0.5082027), wk = 0.0025510 k( 336) = ( -0.5000000 0.1763393 0.4893803), wk = 0.0025510 k( 337) = ( -0.5000000 0.1763393 0.4705580), wk = 0.0025510 k( 338) = ( -0.5000000 0.1763393 0.4517357), wk = 0.0025510 k( 339) = ( -0.5000000 0.1763393 0.4329134), wk = 0.0025510 k( 340) = ( -0.5000000 0.1763393 0.4140911), wk = 0.0025510 k( 341) = ( -0.5000000 0.1763393 0.3952687), wk = 0.0025510 k( 342) = ( -0.5000000 0.1763393 0.3764464), wk = 0.0025510 k( 343) = ( -0.5000000 0.1763393 0.3576241), wk = 0.0025510 k( 344) = ( -0.5000000 0.1763393 0.3388018), wk = 0.0025510 k( 345) = ( -0.5000000 0.1763393 0.3199795), wk = 0.0025510 k( 346) = ( -0.5000000 0.1763393 0.3011571), wk = 0.0025510 k( 347) = ( -0.5000000 0.1763393 0.2823348), wk = 0.0025510 k( 348) = ( -0.5000000 0.1763393 0.2635125), wk = 0.0025510 k( 349) = ( -0.5000000 0.1763393 0.2446902), wk = 0.0025510 k( 350) = ( -0.5000000 0.1763393 0.2258678), wk = 0.0025510 k( 351) = ( -0.5000000 0.1763393 0.2070455), wk = 0.0025510 k( 352) = ( -0.5000000 0.1763393 0.1882232), wk = 0.0025510 k( 353) = ( -0.5000000 0.1763393 0.1694009), wk = 0.0025510 k( 354) = ( -0.5000000 0.1763393 0.1505786), wk = 0.0025510 k( 355) = ( -0.5000000 0.1763393 0.1317563), wk = 0.0025510 k( 356) = ( -0.5000000 0.1763393 0.1129339), wk = 0.0025510 k( 357) = ( -0.5000000 0.1763393 0.0941116), wk = 0.0025510 k( 358) = ( -0.5000000 0.1763393 0.0752893), wk = 0.0025510 k( 359) = ( -0.5000000 0.1763393 0.0564670), wk = 0.0025510 k( 360) = ( -0.5000000 0.1763393 0.0376446), wk = 0.0025510 k( 361) = ( -0.5000000 0.1763393 0.0188223), wk = 0.0025510 k( 362) = ( -0.5000000 0.1763393 -0.0000000), wk = 0.0025510 k( 363) = ( 0.0000000 0.0000000 0.6211366), wk = 0.0025510 k( 364) = ( -0.0172414 0.0060807 0.6211366), wk = 0.0025510 k( 365) = ( -0.0344828 0.0121613 0.6211366), wk = 0.0025510 k( 366) = ( -0.0517241 0.0182420 0.6211366), wk = 0.0025510 k( 367) = ( -0.0689655 0.0243227 0.6211366), wk = 0.0025510 k( 368) = ( -0.0862069 0.0304033 0.6211366), wk = 0.0025510 k( 369) = ( -0.1034483 0.0364840 0.6211366), wk = 0.0025510 k( 370) = ( -0.1206897 0.0425647 0.6211366), wk = 0.0025510 k( 371) = ( -0.1379310 0.0486453 0.6211366), wk = 0.0025510 k( 372) = ( -0.1551724 0.0547260 0.6211366), wk = 0.0025510 k( 373) = ( -0.1724138 0.0608066 0.6211366), wk = 0.0025510 k( 374) = ( -0.1896552 0.0668873 0.6211366), wk = 0.0025510 k( 375) = ( -0.2068966 0.0729680 0.6211366), wk = 0.0025510 k( 376) = ( -0.2241379 0.0790486 0.6211366), wk = 0.0025510 k( 377) = ( -0.2413793 0.0851293 0.6211366), wk = 0.0025510 k( 378) = ( -0.2586207 0.0912100 0.6211366), wk = 0.0025510 k( 379) = ( -0.2758621 0.0972906 0.6211366), wk = 0.0025510 k( 380) = ( -0.2931034 0.1033713 0.6211366), wk = 0.0025510 k( 381) = ( -0.3103448 0.1094520 0.6211366), wk = 0.0025510 k( 382) = ( -0.3275862 0.1155326 0.6211366), wk = 0.0025510 k( 383) = ( -0.3448276 0.1216133 0.6211366), wk = 0.0025510 k( 384) = ( -0.3620690 0.1276940 0.6211366), wk = 0.0025510 k( 385) = ( -0.3793103 0.1337746 0.6211366), wk = 0.0025510 k( 386) = ( -0.3965517 0.1398553 0.6211366), wk = 0.0025510 k( 387) = ( -0.4137931 0.1459360 0.6211366), wk = 0.0025510 k( 388) = ( -0.4310345 0.1520166 0.6211366), wk = 0.0025510 k( 389) = ( -0.4482759 0.1580973 0.6211366), wk = 0.0025510 k( 390) = ( -0.4655172 0.1641780 0.6211366), wk = 0.0025510 k( 391) = ( -0.4827586 0.1702586 0.6211366), wk = 0.0025510 k( 392) = ( -0.5000000 0.1763393 0.6211366), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0062466 0.0062466 0.0000000), wk = 0.0025510 k( 3) = ( 0.0124931 0.0124931 0.0000000), wk = 0.0025510 k( 4) = ( 0.0187397 0.0187397 0.0000000), wk = 0.0025510 k( 5) = ( 0.0249863 0.0249863 0.0000000), wk = 0.0025510 k( 6) = ( 0.0312328 0.0312328 0.0000000), wk = 0.0025510 k( 7) = ( 0.0374794 0.0374794 0.0000000), wk = 0.0025510 k( 8) = ( 0.0437260 0.0437260 0.0000000), wk = 0.0025510 k( 9) = ( 0.0499725 0.0499725 0.0000000), wk = 0.0025510 k( 10) = ( 0.0562191 0.0562191 0.0000000), wk = 0.0025510 k( 11) = ( 0.0624657 0.0624657 0.0000000), wk = 0.0025510 k( 12) = ( 0.0687122 0.0687122 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0749588 0.0749588 -0.0000000), wk = 0.0025510 k( 14) = ( 0.0812054 0.0812054 0.0000000), wk = 0.0025510 k( 15) = ( 0.0874520 0.0874519 0.0000000), wk = 0.0025510 k( 16) = ( 0.0936985 0.0936985 0.0000000), wk = 0.0025510 k( 17) = ( 0.0999451 0.0999451 0.0000000), wk = 0.0025510 k( 18) = ( 0.1061916 0.1061916 0.0000000), wk = 0.0025510 k( 19) = ( 0.1124382 0.1124382 0.0000000), wk = 0.0025510 k( 20) = ( 0.1186848 0.1186848 0.0000000), wk = 0.0025510 k( 21) = ( 0.1249313 0.1249313 0.0000000), wk = 0.0025510 k( 22) = ( 0.1311779 0.1311779 0.0000000), wk = 0.0025510 k( 23) = ( 0.1374245 0.1374245 0.0000000), wk = 0.0025510 k( 24) = ( 0.1436711 0.1436711 0.0000000), wk = 0.0025510 k( 25) = ( 0.1499176 0.1499176 -0.0000000), wk = 0.0025510 k( 26) = ( 0.1561642 0.1561642 0.0000000), wk = 0.0025510 k( 27) = ( 0.1624108 0.1624108 0.0000000), wk = 0.0025510 k( 28) = ( 0.1686573 0.1686573 0.0000000), wk = 0.0025510 k( 29) = ( 0.1749039 0.1749039 0.0000000), wk = 0.0025510 k( 30) = ( 0.1811505 0.1811505 0.0000000), wk = 0.0025510 k( 31) = ( 0.1873970 0.1873970 0.0000000), wk = 0.0025510 k( 32) = ( 0.1936436 0.1936436 0.0000000), wk = 0.0025510 k( 33) = ( 0.1998902 0.1998902 0.0000000), wk = 0.0025510 k( 34) = ( 0.2061367 0.2061367 0.0000000), wk = 0.0025510 k( 35) = ( 0.2123833 0.2123833 0.0000000), wk = 0.0025510 k( 36) = ( 0.2186299 0.2186299 0.0000000), wk = 0.0025510 k( 37) = ( 0.2248764 0.2248764 0.0000000), wk = 0.0025510 k( 38) = ( 0.2311230 0.2311230 0.0000000), wk = 0.0025510 k( 39) = ( 0.2373696 0.2373696 0.0000000), wk = 0.0025510 k( 40) = ( 0.2436161 0.2436161 0.0000000), wk = 0.0025510 k( 41) = ( 0.2498627 0.2498627 -0.0000000), wk = 0.0025510 k( 42) = ( 0.2561093 0.2561093 0.0000000), wk = 0.0025510 k( 43) = ( 0.2623558 0.2623558 0.0000000), wk = 0.0025510 k( 44) = ( 0.2686024 0.2686024 0.0000000), wk = 0.0025510 k( 45) = ( 0.2748490 0.2748490 0.0000000), wk = 0.0025510 k( 46) = ( 0.2810955 0.2810955 0.0000000), wk = 0.0025510 k( 47) = ( 0.2810955 0.2810955 0.0000000), wk = 0.0025510 k( 48) = ( 0.2623558 0.2956892 0.0000000), wk = 0.0025510 k( 49) = ( 0.2436161 0.3102828 0.0000000), wk = 0.0025510 k( 50) = ( 0.2248764 0.3248764 0.0000000), wk = 0.0025510 k( 51) = ( 0.2061367 0.3394701 0.0000000), wk = 0.0025510 k( 52) = ( 0.1873970 0.3540637 0.0000000), wk = 0.0025510 k( 53) = ( 0.1686573 0.3686573 0.0000000), wk = 0.0025510 k( 54) = ( 0.1499176 0.3832510 0.0000000), wk = 0.0025510 k( 55) = ( 0.1311779 0.3978446 0.0000000), wk = 0.0025510 k( 56) = ( 0.1124382 0.4124382 0.0000000), wk = 0.0025510 k( 57) = ( 0.0936985 0.4270318 0.0000000), wk = 0.0025510 k( 58) = ( 0.0749588 0.4416255 0.0000000), wk = 0.0025510 k( 59) = ( 0.0562191 0.4562191 0.0000000), wk = 0.0025510 k( 60) = ( 0.0374794 0.4708127 0.0000000), wk = 0.0025510 k( 61) = ( 0.0187397 0.4854064 0.0000000), wk = 0.0025510 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 64) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0025510 k( 65) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0025510 k( 66) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0025510 k( 67) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0025510 k( 68) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0025510 k( 69) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0025510 k( 70) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0025510 k( 71) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0025510 k( 72) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0025510 k( 73) = ( 0.0000000 0.5000000 0.1515152), wk = 0.0025510 k( 74) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025510 k( 75) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0025510 k( 76) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0025510 k( 77) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0025510 k( 78) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0025510 k( 79) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0025510 k( 80) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0025510 k( 81) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0025510 k( 82) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0025510 k( 83) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0025510 k( 84) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0025510 k( 85) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025510 k( 86) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0025510 k( 87) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0025510 k( 88) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0025510 k( 89) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0025510 k( 90) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0025510 k( 91) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0025510 k( 92) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0025510 k( 93) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0025510 k( 94) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0025510 k( 95) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0025510 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 98) = ( 0.0187397 0.4854064 0.5000000), wk = 0.0025510 k( 99) = ( 0.0374794 0.4708127 0.5000000), wk = 0.0025510 k( 100) = ( 0.0562191 0.4562191 0.5000000), wk = 0.0025510 k( 101) = ( 0.0749588 0.4416255 0.5000000), wk = 0.0025510 k( 102) = ( 0.0936985 0.4270318 0.5000000), wk = 0.0025510 k( 103) = ( 0.1124382 0.4124382 0.5000000), wk = 0.0025510 k( 104) = ( 0.1311779 0.3978446 0.5000000), wk = 0.0025510 k( 105) = ( 0.1499176 0.3832510 0.5000000), wk = 0.0025510 k( 106) = ( 0.1686573 0.3686573 0.5000000), wk = 0.0025510 k( 107) = ( 0.1873970 0.3540637 0.5000000), wk = 0.0025510 k( 108) = ( 0.2061367 0.3394701 0.5000000), wk = 0.0025510 k( 109) = ( 0.2248764 0.3248764 0.5000000), wk = 0.0025510 k( 110) = ( 0.2436161 0.3102828 0.5000000), wk = 0.0025510 k( 111) = ( 0.2623558 0.2956892 0.5000000), wk = 0.0025510 k( 112) = ( 0.2810955 0.2810955 0.5000000), wk = 0.0025510 k( 113) = ( 0.2810955 0.2810955 0.5000000), wk = 0.0025510 k( 114) = ( 0.2748490 0.2748490 0.5000000), wk = 0.0025510 k( 115) = ( 0.2686024 0.2686024 0.5000000), wk = 0.0025510 k( 116) = ( 0.2623558 0.2623558 0.5000000), wk = 0.0025510 k( 117) = ( 0.2561093 0.2561093 0.5000000), wk = 0.0025510 k( 118) = ( 0.2498627 0.2498627 0.5000000), wk = 0.0025510 k( 119) = ( 0.2436161 0.2436161 0.5000000), wk = 0.0025510 k( 120) = ( 0.2373696 0.2373696 0.5000000), wk = 0.0025510 k( 121) = ( 0.2311230 0.2311230 0.5000000), wk = 0.0025510 k( 122) = ( 0.2248764 0.2248764 0.5000000), wk = 0.0025510 k( 123) = ( 0.2186299 0.2186299 0.5000000), wk = 0.0025510 k( 124) = ( 0.2123833 0.2123833 0.5000000), wk = 0.0025510 k( 125) = ( 0.2061367 0.2061367 0.5000000), wk = 0.0025510 k( 126) = ( 0.1998902 0.1998902 0.5000000), wk = 0.0025510 k( 127) = ( 0.1936436 0.1936436 0.5000000), wk = 0.0025510 k( 128) = ( 0.1873970 0.1873970 0.5000000), wk = 0.0025510 k( 129) = ( 0.1811505 0.1811505 0.5000000), wk = 0.0025510 k( 130) = ( 0.1749039 0.1749039 0.5000000), wk = 0.0025510 k( 131) = ( 0.1686573 0.1686573 0.5000000), wk = 0.0025510 k( 132) = ( 0.1624108 0.1624108 0.5000000), wk = 0.0025510 k( 133) = ( 0.1561642 0.1561642 0.5000000), wk = 0.0025510 k( 134) = ( 0.1499176 0.1499176 0.5000000), wk = 0.0025510 k( 135) = ( 0.1436711 0.1436711 0.5000000), wk = 0.0025510 k( 136) = ( 0.1374245 0.1374245 0.5000000), wk = 0.0025510 k( 137) = ( 0.1311779 0.1311779 0.5000000), wk = 0.0025510 k( 138) = ( 0.1249313 0.1249313 0.5000000), wk = 0.0025510 k( 139) = ( 0.1186848 0.1186848 0.5000000), wk = 0.0025510 k( 140) = ( 0.1124382 0.1124382 0.5000000), wk = 0.0025510 k( 141) = ( 0.1061916 0.1061916 0.5000000), wk = 0.0025510 k( 142) = ( 0.0999451 0.0999451 0.5000000), wk = 0.0025510 k( 143) = ( 0.0936985 0.0936985 0.5000000), wk = 0.0025510 k( 144) = ( 0.0874520 0.0874519 0.5000000), wk = 0.0025510 k( 145) = ( 0.0812054 0.0812054 0.5000000), wk = 0.0025510 k( 146) = ( 0.0749588 0.0749588 0.5000000), wk = 0.0025510 k( 147) = ( 0.0687122 0.0687122 0.5000000), wk = 0.0025510 k( 148) = ( 0.0624657 0.0624657 0.5000000), wk = 0.0025510 k( 149) = ( 0.0562191 0.0562191 0.5000000), wk = 0.0025510 k( 150) = ( 0.0499725 0.0499725 0.5000000), wk = 0.0025510 k( 151) = ( 0.0437260 0.0437260 0.5000000), wk = 0.0025510 k( 152) = ( 0.0374794 0.0374794 0.5000000), wk = 0.0025510 k( 153) = ( 0.0312328 0.0312328 0.5000000), wk = 0.0025510 k( 154) = ( 0.0249863 0.0249863 0.5000000), wk = 0.0025510 k( 155) = ( 0.0187397 0.0187397 0.5000000), wk = 0.0025510 k( 156) = ( 0.0124931 0.0124931 0.5000000), wk = 0.0025510 k( 157) = ( 0.0062466 0.0062466 0.5000000), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0025510 k( 174) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0025510 k( 175) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0025510 k( 176) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0025510 k( 177) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0025510 k( 178) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0025510 k( 179) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0025510 k( 180) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0025510 k( 181) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025510 k( 182) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0025510 k( 183) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0025510 k( 184) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0025510 k( 185) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0025510 k( 186) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0025510 k( 187) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0025510 k( 188) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0025510 k( 189) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0025510 k( 190) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0025510 k( 191) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0025510 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 194) = ( -0.0172414 0.0172414 -0.0000000), wk = 0.0025510 k( 195) = ( -0.0344828 0.0344828 -0.0000000), wk = 0.0025510 k( 196) = ( -0.0517241 0.0517241 -0.0000000), wk = 0.0025510 k( 197) = ( -0.0689655 0.0689655 -0.0000000), wk = 0.0025510 k( 198) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0025510 k( 199) = ( -0.1034483 0.1034483 -0.0000000), wk = 0.0025510 k( 200) = ( -0.1206897 0.1206897 -0.0000000), wk = 0.0025510 k( 201) = ( -0.1379310 0.1379310 0.0000000), wk = 0.0025510 k( 202) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0025510 k( 203) = ( -0.1724138 0.1724138 0.0000000), wk = 0.0025510 k( 204) = ( -0.1896552 0.1896552 -0.0000000), wk = 0.0025510 k( 205) = ( -0.2068966 0.2068966 -0.0000000), wk = 0.0025510 k( 206) = ( -0.2241379 0.2241379 -0.0000000), wk = 0.0025510 k( 207) = ( -0.2413793 0.2413793 -0.0000000), wk = 0.0025510 k( 208) = ( -0.2586207 0.2586207 -0.0000000), wk = 0.0025510 k( 209) = ( -0.2758621 0.2758621 -0.0000000), wk = 0.0025510 k( 210) = ( -0.2931034 0.2931034 -0.0000000), wk = 0.0025510 k( 211) = ( -0.3103448 0.3103448 -0.0000000), wk = 0.0025510 k( 212) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0025510 k( 213) = ( -0.3448276 0.3448276 0.0000000), wk = 0.0025510 k( 214) = ( -0.3620690 0.3620690 0.0000000), wk = 0.0025510 k( 215) = ( -0.3793103 0.3793103 -0.0000000), wk = 0.0025510 k( 216) = ( -0.3965517 0.3965517 0.0000000), wk = 0.0025510 k( 217) = ( -0.4137931 0.4137931 -0.0000000), wk = 0.0025510 k( 218) = ( -0.4310345 0.4310345 -0.0000000), wk = 0.0025510 k( 219) = ( -0.4482759 0.4482759 -0.0000000), wk = 0.0025510 k( 220) = ( -0.4655172 0.4655172 0.0000000), wk = 0.0025510 k( 221) = ( -0.4827586 0.4827586 -0.0000000), wk = 0.0025510 k( 222) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025510 k( 223) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025510 k( 224) = ( -0.4937456 0.5062544 -0.0000000), wk = 0.0025510 k( 225) = ( -0.4874912 0.5125088 0.0000000), wk = 0.0025510 k( 226) = ( -0.4812368 0.5187632 0.0000000), wk = 0.0025510 k( 227) = ( -0.4749823 0.5250176 -0.0000000), wk = 0.0025510 k( 228) = ( -0.4687279 0.5312721 -0.0000000), wk = 0.0025510 k( 229) = ( -0.4624735 0.5375265 -0.0000000), wk = 0.0025510 k( 230) = ( -0.4562191 0.5437809 0.0000000), wk = 0.0025510 k( 231) = ( -0.4499647 0.5500353 0.0000000), wk = 0.0025510 k( 232) = ( -0.4437103 0.5562897 0.0000000), wk = 0.0025510 k( 233) = ( -0.4374559 0.5625441 -0.0000000), wk = 0.0025510 k( 234) = ( -0.4312015 0.5687985 -0.0000000), wk = 0.0025510 k( 235) = ( -0.4249470 0.5750530 -0.0000000), wk = 0.0025510 k( 236) = ( -0.4186926 0.5813074 -0.0000000), wk = 0.0025510 k( 237) = ( -0.4124382 0.5875618 0.0000000), wk = 0.0025510 k( 238) = ( -0.4061838 0.5938162 0.0000000), wk = 0.0025510 k( 239) = ( -0.3999294 0.6000706 -0.0000000), wk = 0.0025510 k( 240) = ( -0.3936750 0.6063250 -0.0000000), wk = 0.0025510 k( 241) = ( -0.3874206 0.6125794 -0.0000000), wk = 0.0025510 k( 242) = ( -0.3811661 0.6188338 -0.0000000), wk = 0.0025510 k( 243) = ( -0.3749117 0.6250883 0.0000000), wk = 0.0025510 k( 244) = ( -0.3686573 0.6313427 -0.0000000), wk = 0.0025510 k( 245) = ( -0.3624029 0.6375971 -0.0000000), wk = 0.0025510 k( 246) = ( -0.3561485 0.6438515 -0.0000000), wk = 0.0025510 k( 247) = ( -0.3498941 0.6501059 0.0000000), wk = 0.0025510 k( 248) = ( -0.3436397 0.6563603 -0.0000000), wk = 0.0025510 k( 249) = ( -0.3373853 0.6626147 -0.0000000), wk = 0.0025510 k( 250) = ( -0.3311308 0.6688692 -0.0000000), wk = 0.0025510 k( 251) = ( -0.3248764 0.6751236 -0.0000000), wk = 0.0025510 k( 252) = ( -0.3186220 0.6813780 0.0000000), wk = 0.0025510 k( 253) = ( -0.3123676 0.6876324 -0.0000000), wk = 0.0025510 k( 254) = ( -0.3061132 0.6938868 0.0000000), wk = 0.0025510 k( 255) = ( -0.2998588 0.7001412 0.0000000), wk = 0.0025510 k( 256) = ( -0.2936044 0.7063956 0.0000000), wk = 0.0025510 k( 257) = ( -0.2873500 0.7126500 -0.0000000), wk = 0.0025510 k( 258) = ( -0.2810955 0.7189045 -0.0000000), wk = 0.0025510 k( 259) = ( -0.2810955 0.7189045 -0.0000000), wk = 0.0025510 k( 260) = ( -0.2810955 0.7189045 0.0151515), wk = 0.0025510 k( 261) = ( -0.2810955 0.7189045 0.0303030), wk = 0.0025510 k( 262) = ( -0.2810955 0.7189045 0.0454546), wk = 0.0025510 k( 263) = ( -0.2810955 0.7189045 0.0606061), wk = 0.0025510 k( 264) = ( -0.2810955 0.7189045 0.0757576), wk = 0.0025510 k( 265) = ( -0.2810955 0.7189045 0.0909091), wk = 0.0025510 k( 266) = ( -0.2810955 0.7189045 0.1060606), wk = 0.0025510 k( 267) = ( -0.2810955 0.7189045 0.1212121), wk = 0.0025510 k( 268) = ( -0.2810955 0.7189045 0.1363636), wk = 0.0025510 k( 269) = ( -0.2810955 0.7189045 0.1515151), wk = 0.0025510 k( 270) = ( -0.2810955 0.7189045 0.1666667), wk = 0.0025510 k( 271) = ( -0.2810955 0.7189045 0.1818182), wk = 0.0025510 k( 272) = ( -0.2810955 0.7189045 0.1969697), wk = 0.0025510 k( 273) = ( -0.2810955 0.7189045 0.2121212), wk = 0.0025510 k( 274) = ( -0.2810955 0.7189045 0.2272727), wk = 0.0025510 k( 275) = ( -0.2810955 0.7189045 0.2424242), wk = 0.0025510 k( 276) = ( -0.2810955 0.7189045 0.2575758), wk = 0.0025510 k( 277) = ( -0.2810955 0.7189045 0.2727273), wk = 0.0025510 k( 278) = ( -0.2810955 0.7189045 0.2878788), wk = 0.0025510 k( 279) = ( -0.2810955 0.7189045 0.3030303), wk = 0.0025510 k( 280) = ( -0.2810955 0.7189045 0.3181818), wk = 0.0025510 k( 281) = ( -0.2810955 0.7189045 0.3333333), wk = 0.0025510 k( 282) = ( -0.2810955 0.7189045 0.3484849), wk = 0.0025510 k( 283) = ( -0.2810955 0.7189045 0.3636364), wk = 0.0025510 k( 284) = ( -0.2810955 0.7189045 0.3787879), wk = 0.0025510 k( 285) = ( -0.2810955 0.7189045 0.3939394), wk = 0.0025510 k( 286) = ( -0.2810955 0.7189045 0.4090909), wk = 0.0025510 k( 287) = ( -0.2810955 0.7189045 0.4242424), wk = 0.0025510 k( 288) = ( -0.2810955 0.7189045 0.4393939), wk = 0.0025510 k( 289) = ( -0.2810955 0.7189045 0.4545454), wk = 0.0025510 k( 290) = ( -0.2810955 0.7189045 0.4696970), wk = 0.0025510 k( 291) = ( -0.2810955 0.7189045 0.4848485), wk = 0.0025510 k( 292) = ( -0.2810955 0.7189045 0.5000000), wk = 0.0025510 k( 293) = ( -0.2810955 0.7189045 0.5000000), wk = 0.0025510 k( 294) = ( -0.2873500 0.7126500 0.5000000), wk = 0.0025510 k( 295) = ( -0.2936044 0.7063956 0.5000000), wk = 0.0025510 k( 296) = ( -0.2998588 0.7001412 0.5000000), wk = 0.0025510 k( 297) = ( -0.3061132 0.6938868 0.5000000), wk = 0.0025510 k( 298) = ( -0.3123676 0.6876324 0.5000000), wk = 0.0025510 k( 299) = ( -0.3186220 0.6813780 0.5000000), wk = 0.0025510 k( 300) = ( -0.3248764 0.6751236 0.5000000), wk = 0.0025510 k( 301) = ( -0.3311308 0.6688692 0.5000000), wk = 0.0025510 k( 302) = ( -0.3373853 0.6626147 0.5000000), wk = 0.0025510 k( 303) = ( -0.3436397 0.6563603 0.5000000), wk = 0.0025510 k( 304) = ( -0.3498941 0.6501059 0.5000000), wk = 0.0025510 k( 305) = ( -0.3561485 0.6438515 0.5000000), wk = 0.0025510 k( 306) = ( -0.3624029 0.6375971 0.5000000), wk = 0.0025510 k( 307) = ( -0.3686573 0.6313427 0.5000000), wk = 0.0025510 k( 308) = ( -0.3749117 0.6250883 0.5000000), wk = 0.0025510 k( 309) = ( -0.3811661 0.6188338 0.5000000), wk = 0.0025510 k( 310) = ( -0.3874206 0.6125794 0.5000000), wk = 0.0025510 k( 311) = ( -0.3936750 0.6063250 0.5000000), wk = 0.0025510 k( 312) = ( -0.3999294 0.6000706 0.5000000), wk = 0.0025510 k( 313) = ( -0.4061838 0.5938162 0.5000000), wk = 0.0025510 k( 314) = ( -0.4124382 0.5875618 0.5000000), wk = 0.0025510 k( 315) = ( -0.4186926 0.5813074 0.5000000), wk = 0.0025510 k( 316) = ( -0.4249470 0.5750530 0.5000000), wk = 0.0025510 k( 317) = ( -0.4312015 0.5687985 0.5000000), wk = 0.0025510 k( 318) = ( -0.4374559 0.5625441 0.5000000), wk = 0.0025510 k( 319) = ( -0.4437103 0.5562897 0.5000000), wk = 0.0025510 k( 320) = ( -0.4499647 0.5500353 0.5000000), wk = 0.0025510 k( 321) = ( -0.4562191 0.5437809 0.5000000), wk = 0.0025510 k( 322) = ( -0.4624735 0.5375265 0.5000000), wk = 0.0025510 k( 323) = ( -0.4687279 0.5312721 0.5000000), wk = 0.0025510 k( 324) = ( -0.4749823 0.5250176 0.5000000), wk = 0.0025510 k( 325) = ( -0.4812368 0.5187632 0.5000000), wk = 0.0025510 k( 326) = ( -0.4874912 0.5125088 0.5000000), wk = 0.0025510 k( 327) = ( -0.4937456 0.5062544 0.5000000), wk = 0.0025510 k( 328) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 329) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 330) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0025510 k( 331) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0025510 k( 332) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0025510 k( 333) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0025510 k( 334) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0025510 k( 335) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0025510 k( 336) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0025510 k( 337) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0025510 k( 338) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0025510 k( 339) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0025510 k( 340) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025510 k( 341) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0025510 k( 342) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0025510 k( 343) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0025510 k( 344) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0025510 k( 345) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0025510 k( 346) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0025510 k( 347) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0025510 k( 348) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0025510 k( 349) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0025510 k( 350) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0025510 k( 351) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025510 k( 352) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0025510 k( 353) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0025510 k( 354) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0025510 k( 355) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0025510 k( 356) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0025510 k( 357) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0025510 k( 358) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0025510 k( 359) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0025510 k( 360) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0025510 k( 361) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0025510 k( 362) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025510 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 364) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0025510 k( 365) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0025510 k( 366) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0025510 k( 367) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0025510 k( 368) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0025510 k( 369) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0025510 k( 370) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0025510 k( 371) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0025510 k( 372) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0025510 k( 373) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0025510 k( 374) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0025510 k( 375) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0025510 k( 376) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0025510 k( 377) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0025510 k( 378) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0025510 k( 379) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0025510 k( 380) = ( -0.2931034 0.2931034 0.5000000), wk = 0.0025510 k( 381) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0025510 k( 382) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0025510 k( 383) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0025510 k( 384) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0025510 k( 385) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0025510 k( 386) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0025510 k( 387) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0025510 k( 388) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0025510 k( 389) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0025510 k( 390) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0025510 k( 391) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0025510 k( 392) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 Dense grid: 105275 G-vectors FFT dimensions: ( 75, 75, 60) Smooth grid: 34099 G-vectors FFT dimensions: ( 54, 54, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 192, 36) NL pseudopotentials 0.19 Mb ( 96, 128) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2196) G-vector shells 0.01 Mb ( 1115) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 192, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.14 Mb ( 128, 2, 36) The potential is recalculated from file : ./LaAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 47.3 secs Computing kpt #: 4 total cpu time spent up to now is 49.3 secs Computing kpt #: 5 total cpu time spent up to now is 51.8 secs Computing kpt #: 6 total cpu time spent up to now is 54.2 secs Computing kpt #: 7 total cpu time spent up to now is 56.6 secs Computing kpt #: 8 total cpu time spent up to now is 58.9 secs Computing kpt #: 9 total cpu time spent up to now is 60.9 secs Computing kpt #: 10 total cpu time spent up to now is 62.8 secs Computing kpt #: 11 total cpu time spent up to now is 64.7 secs Computing kpt #: 12 total cpu time spent up to now is 66.6 secs Computing kpt #: 13 total cpu time spent up to now is 68.6 secs Computing kpt #: 14 total cpu time spent up to now is 70.6 secs Computing kpt #: 15 total cpu time spent up to now is 72.7 secs Computing kpt #: 16 total cpu time spent up to now is 74.8 secs Computing kpt #: 17 total cpu time spent up to now is 77.2 secs Computing kpt #: 18 total cpu time spent up to now is 79.4 secs Computing kpt #: 19 total cpu time spent up to now is 81.8 secs Computing kpt #: 20 total cpu time spent up to now is 84.2 secs Computing kpt #: 21 total cpu time spent up to now is 86.5 secs Computing kpt #: 22 total cpu time spent up to now is 88.8 secs Computing kpt #: 23 total cpu time spent up to now is 90.8 secs Computing kpt #: 24 total cpu time spent up to now is 92.8 secs Computing kpt #: 25 total cpu time spent up to now is 94.9 secs Computing kpt #: 26 total cpu time spent up to now is 96.8 secs Computing kpt #: 27 total cpu time spent up to now is 98.7 secs Computing kpt #: 28 total cpu time spent up to now is 100.5 secs Computing kpt #: 29 total cpu time spent up to now is 102.2 secs Computing kpt #: 30 total cpu time spent up to now is 104.0 secs Computing kpt #: 31 total cpu time spent up to now is 105.7 secs Computing kpt #: 32 total cpu time spent up to now is 107.4 secs Computing kpt #: 33 total cpu time spent up to now is 109.1 secs Computing kpt #: 34 total cpu time spent up to now is 110.9 secs Computing kpt #: 35 total cpu time spent up to now is 112.5 secs Computing kpt #: 36 total cpu time spent up to now is 114.3 secs Computing kpt #: 37 total cpu time spent up to now is 116.1 secs Computing kpt #: 38 total cpu time spent up to now is 117.9 secs Computing kpt #: 39 total cpu time spent up to now is 119.7 secs Computing kpt #: 40 total cpu time spent up to now is 121.5 secs Computing kpt #: 41 total cpu time spent up to now is 123.3 secs Computing kpt #: 42 total cpu time spent up to now is 125.1 secs Computing kpt #: 43 total cpu time spent up to now is 127.0 secs Computing kpt #: 44 total cpu time spent up to now is 128.8 secs Computing kpt #: 45 total cpu time spent up to now is 130.7 secs Computing kpt #: 46 total cpu time spent up to now is 132.8 secs Computing kpt #: 47 total cpu time spent up to now is 134.7 secs Computing kpt #: 48 total cpu time spent up to now is 136.6 secs Computing kpt #: 49 total cpu time spent up to now is 138.6 secs Computing kpt #: 50 total cpu time spent up to now is 140.8 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.7 secs Computing kpt #: 53 total cpu time spent up to now is 148.9 secs Computing kpt #: 54 total cpu time spent up to now is 151.1 secs Computing kpt #: 55 total cpu time spent up to now is 153.2 secs Computing kpt #: 56 total cpu time spent up to now is 155.1 secs Computing kpt #: 57 total cpu time spent up to now is 157.1 secs Computing kpt #: 58 total cpu time spent up to now is 159.1 secs Computing kpt #: 59 total cpu time spent up to now is 161.0 secs Computing kpt #: 60 total cpu time spent up to now is 162.8 secs Computing kpt #: 61 total cpu time spent up to now is 164.5 secs Computing kpt #: 62 total cpu time spent up to now is 166.3 secs Computing kpt #: 63 total cpu time spent up to now is 168.1 secs Computing kpt #: 64 total cpu time spent up to now is 169.9 secs Computing kpt #: 65 total cpu time spent up to now is 171.6 secs Computing kpt #: 66 total cpu time spent up to now is 173.4 secs Computing kpt #: 67 total cpu time spent up to now is 175.1 secs Computing kpt #: 68 total cpu time spent up to now is 176.8 secs Computing kpt #: 69 total cpu time spent up to now is 178.5 secs Computing kpt #: 70 total cpu time spent up to now is 180.2 secs Computing kpt #: 71 total cpu time spent up to now is 182.0 secs Computing kpt #: 72 total cpu time spent up to now is 183.7 secs Computing kpt #: 73 total cpu time spent up to now is 185.4 secs Computing kpt #: 74 total cpu time spent up to now is 187.1 secs Computing kpt #: 75 total cpu time spent up to now is 188.8 secs Computing kpt #: 76 total cpu time spent up to now is 190.4 secs Computing kpt #: 77 total cpu time spent up to now is 192.1 secs Computing kpt #: 78 total cpu time spent up to now is 194.3 secs Computing kpt #: 79 total cpu time spent up to now is 196.0 secs Computing kpt #: 80 total cpu time spent up to now is 197.6 secs Computing kpt #: 81 total cpu time spent up to now is 199.6 secs Computing kpt #: 82 total cpu time spent up to now is 201.3 secs Computing kpt #: 83 total cpu time spent up to now is 203.0 secs Computing kpt #: 84 total cpu time spent up to now is 204.7 secs Computing kpt #: 85 total cpu time spent up to now is 206.4 secs Computing kpt #: 86 total cpu time spent up to now is 208.1 secs Computing kpt #: 87 total cpu time spent up to now is 209.8 secs Computing kpt #: 88 total cpu time spent up to now is 211.4 secs Computing kpt #: 89 total cpu time spent up to now is 213.1 secs Computing kpt #: 90 total cpu time spent up to now is 215.0 secs Computing kpt #: 91 total cpu time spent up to now is 216.7 secs Computing kpt #: 92 total cpu time spent up to now is 218.3 secs Computing kpt #: 93 total cpu time spent up to now is 220.1 secs Computing kpt #: 94 total cpu time spent up to now is 221.7 secs Computing kpt #: 95 total cpu time spent up to now is 223.4 secs Computing kpt #: 96 total cpu time spent up to now is 225.0 secs Computing kpt #: 97 total cpu time spent up to now is 226.7 secs Computing kpt #: 98 total cpu time spent up to now is 228.4 secs Computing kpt #: 99 total cpu time spent up to now is 230.0 secs Computing kpt #: 100 total cpu time spent up to now is 231.7 secs Computing kpt #: 101 total cpu time spent up to now is 233.4 secs Computing kpt #: 102 total cpu time spent up to now is 235.0 secs Computing kpt #: 103 total cpu time spent up to now is 236.8 secs Computing kpt #: 104 total cpu time spent up to now is 238.5 secs Computing kpt #: 105 total cpu time spent up to now is 240.1 secs Computing kpt #: 106 total cpu time spent up to now is 242.1 secs Computing kpt #: 107 total cpu time spent up to now is 243.8 secs Computing kpt #: 108 total cpu time spent up to now is 245.5 secs Computing kpt #: 109 total cpu time spent up to now is 247.2 secs Computing kpt #: 110 total cpu time spent up to now is 248.8 secs Computing kpt #: 111 total cpu time spent up to now is 250.5 secs Computing kpt #: 112 total cpu time spent up to now is 252.4 secs Computing kpt #: 113 total cpu time spent up to now is 254.2 secs Computing kpt #: 114 total cpu time spent up to now is 255.9 secs Computing kpt #: 115 total cpu time spent up to now is 257.6 secs Computing kpt #: 116 total cpu time spent up to now is 259.6 secs Computing kpt #: 117 total cpu time spent up to now is 261.3 secs Computing kpt #: 118 total cpu time spent up to now is 263.0 secs Computing kpt #: 119 total cpu time spent up to now is 264.9 secs Computing kpt #: 120 total cpu time spent up to now is 266.6 secs Computing kpt #: 121 total cpu time spent up to now is 268.4 secs Computing kpt #: 122 total cpu time spent up to now is 271.2 secs Computing kpt #: 123 total cpu time spent up to now is 272.9 secs Computing kpt #: 124 total cpu time spent up to now is 274.5 secs Computing kpt #: 125 total cpu time spent up to now is 276.3 secs Computing kpt #: 126 total cpu time spent up to now is 278.0 secs Computing kpt #: 127 total cpu time spent up to now is 279.6 secs Computing kpt #: 128 total cpu time spent up to now is 281.3 secs Computing kpt #: 129 total cpu time spent up to now is 283.0 secs Computing kpt #: 130 total cpu time spent up to now is 284.6 secs Computing kpt #: 131 total cpu time spent up to now is 286.3 secs Computing kpt #: 132 total cpu time spent up to now is 288.2 secs Computing kpt #: 133 total cpu time spent up to now is 289.8 secs Computing kpt #: 134 total cpu time spent up to now is 291.5 secs Computing kpt #: 135 total cpu time spent up to now is 293.2 secs Computing kpt #: 136 total cpu time spent up to now is 294.9 secs Computing kpt #: 137 total cpu time spent up to now is 296.6 secs Computing kpt #: 138 total cpu time spent up to now is 298.3 secs Computing kpt #: 139 total cpu time spent up to now is 299.9 secs Computing kpt #: 140 total cpu time spent up to now is 301.7 secs Computing kpt #: 141 total cpu time spent up to now is 303.5 secs Computing kpt #: 142 total cpu time spent up to now is 305.2 secs Computing kpt #: 143 total cpu time spent up to now is 306.8 secs Computing kpt #: 144 total cpu time spent up to now is 308.5 secs Computing kpt #: 145 total cpu time spent up to now is 310.4 secs Computing kpt #: 146 total cpu time spent up to now is 312.1 secs Computing kpt #: 147 total cpu time spent up to now is 313.7 secs Computing kpt #: 148 total cpu time spent up to now is 315.4 secs Computing kpt #: 149 total cpu time spent up to now is 317.1 secs Computing kpt #: 150 total cpu time spent up to now is 318.7 secs Computing kpt #: 151 total cpu time spent up to now is 320.4 secs Computing kpt #: 152 total cpu time spent up to now is 322.1 secs Computing kpt #: 153 total cpu time spent up to now is 323.7 secs Computing kpt #: 154 total cpu time spent up to now is 325.4 secs Computing kpt #: 155 total cpu time spent up to now is 327.1 secs Computing kpt #: 156 total cpu time spent up to now is 328.8 secs Computing kpt #: 157 total cpu time spent up to now is 330.7 secs Computing kpt #: 158 total cpu time spent up to now is 332.4 secs Computing kpt #: 159 total cpu time spent up to now is 334.2 secs Computing kpt #: 160 total cpu time spent up to now is 335.9 secs Computing kpt #: 161 total cpu time spent up to now is 337.6 secs Computing kpt #: 162 total cpu time spent up to now is 339.2 secs Computing kpt #: 163 total cpu time spent up to now is 340.9 secs Computing kpt #: 164 total cpu time spent up to now is 342.6 secs Computing kpt #: 165 total cpu time spent up to now is 344.3 secs Computing kpt #: 166 total cpu time spent up to now is 346.0 secs Computing kpt #: 167 total cpu time spent up to now is 347.6 secs Computing kpt #: 168 total cpu time spent up to now is 349.3 secs Computing kpt #: 169 total cpu time spent up to now is 350.9 secs Computing kpt #: 170 total cpu time spent up to now is 352.6 secs Computing kpt #: 171 total cpu time spent up to now is 354.3 secs Computing kpt #: 172 total cpu time spent up to now is 356.0 secs Computing kpt #: 173 total cpu time spent up to now is 357.9 secs Computing kpt #: 174 total cpu time spent up to now is 359.6 secs Computing kpt #: 175 total cpu time spent up to now is 361.4 secs Computing kpt #: 176 total cpu time spent up to now is 363.4 secs Computing kpt #: 177 total cpu time spent up to now is 365.2 secs Computing kpt #: 178 total cpu time spent up to now is 367.0 secs Computing kpt #: 179 total cpu time spent up to now is 368.8 secs Computing kpt #: 180 total cpu time spent up to now is 370.8 secs Computing kpt #: 181 total cpu time spent up to now is 372.8 secs Computing kpt #: 182 total cpu time spent up to now is 375.0 secs Computing kpt #: 183 total cpu time spent up to now is 377.0 secs Computing kpt #: 184 total cpu time spent up to now is 378.9 secs Computing kpt #: 185 total cpu time spent up to now is 380.9 secs Computing kpt #: 186 total cpu time spent up to now is 383.0 secs Computing kpt #: 187 total cpu time spent up to now is 385.0 secs Computing kpt #: 188 total cpu time spent up to now is 387.0 secs Computing kpt #: 189 total cpu time spent up to now is 388.9 secs Computing kpt #: 190 total cpu time spent up to now is 391.3 secs Computing kpt #: 191 total cpu time spent up to now is 393.3 secs Computing kpt #: 192 total cpu time spent up to now is 395.3 secs Computing kpt #: 193 total cpu time spent up to now is 397.3 secs Computing kpt #: 194 total cpu time spent up to now is 399.4 secs Computing kpt #: 195 total cpu time spent up to now is 401.4 secs Computing kpt #: 196 total cpu time spent up to now is 403.4 secs Computing kpt #: 197 total cpu time spent up to now is 405.5 secs Computing kpt #: 198 total cpu time spent up to now is 408.0 secs Computing kpt #: 199 total cpu time spent up to now is 410.2 secs Computing kpt #: 200 total cpu time spent up to now is 412.4 secs Computing kpt #: 201 total cpu time spent up to now is 414.8 secs Computing kpt #: 202 total cpu time spent up to now is 416.9 secs Computing kpt #: 203 total cpu time spent up to now is 418.9 secs Computing kpt #: 204 total cpu time spent up to now is 420.9 secs Computing kpt #: 205 total cpu time spent up to now is 422.8 secs Computing kpt #: 206 total cpu time spent up to now is 424.7 secs Computing kpt #: 207 total cpu time spent up to now is 426.5 secs Computing kpt #: 208 total cpu time spent up to now is 428.4 secs Computing kpt #: 209 total cpu time spent up to now is 430.3 secs Computing kpt #: 210 total cpu time spent up to now is 432.3 secs Computing kpt #: 211 total cpu time spent up to now is 434.1 secs Computing kpt #: 212 total cpu time spent up to now is 436.2 secs Computing kpt #: 213 total cpu time spent up to now is 438.1 secs Computing kpt #: 214 total cpu time spent up to now is 440.1 secs Computing kpt #: 215 total cpu time spent up to now is 442.0 secs Computing kpt #: 216 total cpu time spent up to now is 444.0 secs Computing kpt #: 217 total cpu time spent up to now is 446.3 secs Computing kpt #: 218 total cpu time spent up to now is 448.4 secs Computing kpt #: 219 total cpu time spent up to now is 450.3 secs Computing kpt #: 220 total cpu time spent up to now is 452.5 secs Computing kpt #: 221 total cpu time spent up to now is 454.4 secs Computing kpt #: 222 total cpu time spent up to now is 456.5 secs Computing kpt #: 223 total cpu time spent up to now is 458.5 secs Computing kpt #: 224 total cpu time spent up to now is 460.4 secs Computing kpt #: 225 total cpu time spent up to now is 462.6 secs Computing kpt #: 226 total cpu time spent up to now is 464.8 secs Computing kpt #: 227 total cpu time spent up to now is 466.8 secs Computing kpt #: 228 total cpu time spent up to now is 468.7 secs Computing kpt #: 229 total cpu time spent up to now is 470.6 secs Computing kpt #: 230 total cpu time spent up to now is 472.6 secs Computing kpt #: 231 total cpu time spent up to now is 474.5 secs Computing kpt #: 232 total cpu time spent up to now is 476.3 secs Computing kpt #: 233 total cpu time spent up to now is 478.3 secs Computing kpt #: 234 total cpu time spent up to now is 480.2 secs Computing kpt #: 235 total cpu time spent up to now is 482.0 secs Computing kpt #: 236 total cpu time spent up to now is 484.0 secs Computing kpt #: 237 total cpu time spent up to now is 486.2 secs Computing kpt #: 238 total cpu time spent up to now is 488.3 secs Computing kpt #: 239 total cpu time spent up to now is 490.0 secs Computing kpt #: 240 total cpu time spent up to now is 491.7 secs Computing kpt #: 241 total cpu time spent up to now is 493.4 secs Computing kpt #: 242 total cpu time spent up to now is 495.1 secs Computing kpt #: 243 total cpu time spent up to now is 497.0 secs Computing kpt #: 244 total cpu time spent up to now is 498.7 secs Computing kpt #: 245 total cpu time spent up to now is 500.4 secs Computing kpt #: 246 total cpu time spent up to now is 502.1 secs Computing kpt #: 247 total cpu time spent up to now is 504.0 secs Computing kpt #: 248 total cpu time spent up to now is 505.8 secs Computing kpt #: 249 total cpu time spent up to now is 507.8 secs Computing kpt #: 250 total cpu time spent up to now is 509.7 secs Computing kpt #: 251 total cpu time spent up to now is 512.0 secs Computing kpt #: 252 total cpu time spent up to now is 514.2 secs Computing kpt #: 253 total cpu time spent up to now is 516.7 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.7 secs Computing kpt #: 255 total cpu time spent up to now is 522.6 secs Computing kpt #: 256 total cpu time spent up to now is 524.7 secs Computing kpt #: 257 total cpu time spent up to now is 526.7 secs Computing kpt #: 258 total cpu time spent up to now is 528.8 secs Computing kpt #: 259 total cpu time spent up to now is 530.8 secs Computing kpt #: 260 total cpu time spent up to now is 532.8 secs Computing kpt #: 261 total cpu time spent up to now is 534.9 secs Computing kpt #: 262 total cpu time spent up to now is 536.9 secs Computing kpt #: 263 total cpu time spent up to now is 539.0 secs Computing kpt #: 264 total cpu time spent up to now is 540.9 secs Computing kpt #: 265 total cpu time spent up to now is 542.9 secs Computing kpt #: 266 total cpu time spent up to now is 545.1 secs Computing kpt #: 267 total cpu time spent up to now is 547.0 secs Computing kpt #: 268 total cpu time spent up to now is 548.8 secs Computing kpt #: 269 total cpu time spent up to now is 550.9 secs Computing kpt #: 270 total cpu time spent up to now is 552.8 secs Computing kpt #: 271 total cpu time spent up to now is 554.6 secs Computing kpt #: 272 total cpu time spent up to now is 556.3 secs Computing kpt #: 273 total cpu time spent up to now is 558.0 secs Computing kpt #: 274 total cpu time spent up to now is 559.8 secs Computing kpt #: 275 total cpu time spent up to now is 561.9 secs Computing kpt #: 276 total cpu time spent up to now is 563.6 secs Computing kpt #: 277 total cpu time spent up to now is 565.3 secs Computing kpt #: 278 total cpu time spent up to now is 567.4 secs Computing kpt #: 279 total cpu time spent up to now is 569.1 secs Computing kpt #: 280 total cpu time spent up to now is 570.8 secs Computing kpt #: 281 total cpu time spent up to now is 572.8 secs Computing kpt #: 282 total cpu time spent up to now is 574.4 secs Computing kpt #: 283 total cpu time spent up to now is 576.1 secs Computing kpt #: 284 total cpu time spent up to now is 578.1 secs Computing kpt #: 285 total cpu time spent up to now is 579.7 secs Computing kpt #: 286 total cpu time spent up to now is 581.4 secs Computing kpt #: 287 total cpu time spent up to now is 583.1 secs Computing kpt #: 288 total cpu time spent up to now is 584.8 secs Computing kpt #: 289 total cpu time spent up to now is 586.4 secs Computing kpt #: 290 total cpu time spent up to now is 588.7 secs Computing kpt #: 291 total cpu time spent up to now is 590.4 secs Computing kpt #: 292 total cpu time spent up to now is 592.1 secs Computing kpt #: 293 total cpu time spent up to now is 593.7 secs Computing kpt #: 294 total cpu time spent up to now is 595.4 secs Computing kpt #: 295 total cpu time spent up to now is 597.1 secs Computing kpt #: 296 total cpu time spent up to now is 599.4 secs Computing kpt #: 297 total cpu time spent up to now is 601.1 secs Computing kpt #: 298 total cpu time spent up to now is 602.8 secs Computing kpt #: 299 total cpu time spent up to now is 604.5 secs Computing kpt #: 300 total cpu time spent up to now is 606.1 secs Computing kpt #: 301 total cpu time spent up to now is 607.8 secs Computing kpt #: 302 total cpu time spent up to now is 609.5 secs Computing kpt #: 303 total cpu time spent up to now is 611.6 secs Computing kpt #: 304 total cpu time spent up to now is 613.4 secs Computing kpt #: 305 total cpu time spent up to now is 615.2 secs Computing kpt #: 306 total cpu time spent up to now is 616.9 secs Computing kpt #: 307 total cpu time spent up to now is 618.8 secs Computing kpt #: 308 total cpu time spent up to now is 620.7 secs Computing kpt #: 309 total cpu time spent up to now is 622.6 secs Computing kpt #: 310 total cpu time spent up to now is 624.5 secs Computing kpt #: 311 total cpu time spent up to now is 626.5 secs Computing kpt #: 312 total cpu time spent up to now is 628.5 secs Computing kpt #: 313 total cpu time spent up to now is 630.7 secs Computing kpt #: 314 total cpu time spent up to now is 633.6 secs Computing kpt #: 315 total cpu time spent up to now is 636.0 secs Computing kpt #: 316 total cpu time spent up to now is 638.9 secs Computing kpt #: 317 total cpu time spent up to now is 641.2 secs Computing kpt #: 318 total cpu time spent up to now is 643.4 secs Computing kpt #: 319 total cpu time spent up to now is 645.5 secs Computing kpt #: 320 total cpu time spent up to now is 647.6 secs Computing kpt #: 321 total cpu time spent up to now is 649.9 secs Computing kpt #: 322 total cpu time spent up to now is 652.1 secs Computing kpt #: 323 total cpu time spent up to now is 654.1 secs Computing kpt #: 324 total cpu time spent up to now is 656.2 secs Computing kpt #: 325 total cpu time spent up to now is 658.2 secs Computing kpt #: 326 total cpu time spent up to now is 660.1 secs Computing kpt #: 327 total cpu time spent up to now is 662.1 secs Computing kpt #: 328 total cpu time spent up to now is 664.1 secs Computing kpt #: 329 total cpu time spent up to now is 666.0 secs Computing kpt #: 330 total cpu time spent up to now is 668.2 secs Computing kpt #: 331 total cpu time spent up to now is 670.2 secs Computing kpt #: 332 total cpu time spent up to now is 672.2 secs Computing kpt #: 333 total cpu time spent up to now is 674.2 secs Computing kpt #: 334 total cpu time spent up to now is 676.2 secs Computing kpt #: 335 total cpu time spent up to now is 678.3 secs Computing kpt #: 336 total cpu time spent up to now is 680.4 secs Computing kpt #: 337 total cpu time spent up to now is 682.6 secs Computing kpt #: 338 total cpu time spent up to now is 685.0 secs Computing kpt #: 339 total cpu time spent up to now is 687.4 secs Computing kpt #: 340 total cpu time spent up to now is 689.8 secs Computing kpt #: 341 total cpu time spent up to now is 692.5 secs Computing kpt #: 342 total cpu time spent up to now is 694.9 secs Computing kpt #: 343 total cpu time spent up to now is 697.1 secs Computing kpt #: 344 total cpu time spent up to now is 699.4 secs Computing kpt #: 345 total cpu time spent up to now is 701.6 secs Computing kpt #: 346 total cpu time spent up to now is 703.7 secs Computing kpt #: 347 total cpu time spent up to now is 705.7 secs Computing kpt #: 348 total cpu time spent up to now is 707.8 secs Computing kpt #: 349 total cpu time spent up to now is 709.9 secs Computing kpt #: 350 total cpu time spent up to now is 711.9 secs Computing kpt #: 351 total cpu time spent up to now is 713.9 secs Computing kpt #: 352 total cpu time spent up to now is 716.0 secs Computing kpt #: 353 total cpu time spent up to now is 718.1 secs Computing kpt #: 354 total cpu time spent up to now is 720.3 secs Computing kpt #: 355 total cpu time spent up to now is 722.3 secs Computing kpt #: 356 total cpu time spent up to now is 724.3 secs Computing kpt #: 357 total cpu time spent up to now is 726.5 secs Computing kpt #: 358 total cpu time spent up to now is 728.5 secs Computing kpt #: 359 total cpu time spent up to now is 730.4 secs Computing kpt #: 360 total cpu time spent up to now is 732.5 secs Computing kpt #: 361 total cpu time spent up to now is 734.6 secs Computing kpt #: 362 total cpu time spent up to now is 736.6 secs Computing kpt #: 363 total cpu time spent up to now is 738.2 secs Computing kpt #: 364 total cpu time spent up to now is 739.8 secs Computing kpt #: 365 total cpu time spent up to now is 741.8 secs Computing kpt #: 366 total cpu time spent up to now is 743.8 secs Computing kpt #: 367 total cpu time spent up to now is 745.4 secs Computing kpt #: 368 total cpu time spent up to now is 747.1 secs Computing kpt #: 369 total cpu time spent up to now is 748.7 secs Computing kpt #: 370 total cpu time spent up to now is 750.3 secs Computing kpt #: 371 total cpu time spent up to now is 752.0 secs Computing kpt #: 372 total cpu time spent up to now is 754.4 secs Computing kpt #: 373 total cpu time spent up to now is 756.1 secs Computing kpt #: 374 total cpu time spent up to now is 757.8 secs Computing kpt #: 375 total cpu time spent up to now is 760.1 secs Computing kpt #: 376 total cpu time spent up to now is 761.8 secs Computing kpt #: 377 total cpu time spent up to now is 763.5 secs Computing kpt #: 378 total cpu time spent up to now is 765.2 secs Computing kpt #: 379 total cpu time spent up to now is 766.9 secs Computing kpt #: 380 total cpu time spent up to now is 768.7 secs Computing kpt #: 381 total cpu time spent up to now is 770.4 secs Computing kpt #: 382 total cpu time spent up to now is 772.1 secs Computing kpt #: 383 total cpu time spent up to now is 773.8 secs Computing kpt #: 384 total cpu time spent up to now is 775.6 secs Computing kpt #: 385 total cpu time spent up to now is 778.0 secs Computing kpt #: 386 total cpu time spent up to now is 780.0 secs Computing kpt #: 387 total cpu time spent up to now is 781.9 secs Computing kpt #: 388 total cpu time spent up to now is 783.7 secs Computing kpt #: 389 total cpu time spent up to now is 785.7 secs Computing kpt #: 390 total cpu time spent up to now is 787.6 secs Computing kpt #: 391 total cpu time spent up to now is 789.7 secs Computing kpt #: 392 total cpu time spent up to now is 791.8 secs ethr = 3.57E-11, avg # of iterations = 44.5 total cpu time spent up to now is 792.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4263 PWs) bands (ev): 1.9195 1.9195 2.8595 2.8595 2.9495 2.9495 3.0706 3.0706 3.0752 3.0752 3.9131 3.9131 4.4112 4.4112 4.5395 4.5395 4.8489 4.8489 5.1795 5.1795 5.3125 5.3125 6.2213 6.2213 9.2607 9.2607 9.3582 9.3582 9.8371 9.8371 10.2909 10.2909 10.8492 10.8492 10.9958 10.9958 k = 0.0062 0.0177-0.0000 ( 4283 PWs) bands (ev): 1.9211 1.9211 2.8595 2.8595 2.9502 2.9502 3.0698 3.0698 3.0773 3.0773 3.9139 3.9139 4.4115 4.4115 4.5397 4.5397 4.8490 4.8490 5.1787 5.1787 5.3131 5.3131 6.2222 6.2222 9.2618 9.2618 9.3571 9.3571 9.8192 9.8192 10.2896 10.2896 10.8687 10.8687 10.9946 10.9946 k = 0.0125 0.0354-0.0000 ( 4279 PWs) bands (ev): 1.9257 1.9257 2.8593 2.8593 2.9522 2.9522 3.0690 3.0690 3.0820 3.0820 3.9164 3.9164 4.4123 4.4123 4.5403 4.5403 4.8495 4.8495 5.1762 5.1762 5.3151 5.3151 6.2248 6.2248 9.2652 9.2652 9.3538 9.3538 9.7684 9.7684 10.2882 10.2882 10.9189 10.9189 10.9940 10.9940 k = 0.0187 0.0531-0.0000 ( 4273 PWs) bands (ev): 1.9334 1.9334 2.8591 2.8591 2.9554 2.9554 3.0693 3.0693 3.0884 3.0884 3.9205 3.9205 4.4137 4.4137 4.5414 4.5414 4.8502 4.8502 5.1724 5.1724 5.3182 5.3182 6.2293 6.2293 9.2709 9.2709 9.3481 9.3481 9.6913 9.6913 10.2903 10.2903 10.9540 10.9540 11.0280 11.0280 k = 0.0250 0.0708-0.0000 ( 4267 PWs) bands (ev): 1.9442 1.9442 2.8589 2.8589 2.9597 2.9597 3.0705 3.0705 3.0964 3.0964 3.9261 3.9261 4.4157 4.4157 4.5429 4.5429 4.8511 4.8511 5.1673 5.1673 5.3222 5.3222 6.2356 6.2356 9.2785 9.2785 9.3400 9.3400 9.5959 9.5959 10.2979 10.2979 10.9420 10.9420 11.1155 11.1155 k = 0.0312 0.0886-0.0000 ( 4259 PWs) bands (ev): 1.9578 1.9578 2.8587 2.8587 2.9650 2.9650 3.0728 3.0728 3.1061 3.1061 3.9333 3.9333 4.4184 4.4184 4.5448 4.5448 4.8523 4.8523 5.1614 5.1614 5.3268 5.3268 6.2436 6.2436 9.2878 9.2878 9.3291 9.3291 9.4889 9.4889 10.3108 10.3108 10.9120 10.9120 11.2078 11.2078 k = 0.0375 0.1063-0.0000 ( 4265 PWs) bands (ev): 1.9742 1.9742 2.8586 2.8586 2.9711 2.9711 3.0760 3.0760 3.1175 3.1175 3.9419 3.9419 4.4217 4.4217 4.5473 4.5473 4.8537 4.8537 5.1547 5.1547 5.3319 5.3319 6.2533 6.2533 9.2949 9.2949 9.3158 9.3158 9.3787 9.3787 10.3288 10.3288 10.8649 10.8649 11.2164 11.2164 k = 0.0437 0.1240-0.0000 ( 4253 PWs) bands (ev): 1.9933 1.9933 2.8588 2.8588 2.9778 2.9778 3.0800 3.0800 3.1308 3.1308 3.9519 3.9519 4.4259 4.4259 4.5503 4.5503 4.8552 4.8552 5.1476 5.1476 5.3373 5.3373 6.2647 6.2647 9.2383 9.2383 9.3081 9.3081 9.3208 9.3208 10.3512 10.3512 10.7992 10.7992 11.1853 11.1853 k = 0.0500 0.1417-0.0000 ( 4251 PWs) bands (ev): 2.0149 2.0149 2.8592 2.8592 2.9850 2.9850 3.0848 3.0848 3.1459 3.1459 3.9632 3.9632 4.4308 4.4308 4.5539 4.5539 4.8568 4.8568 5.1403 5.1403 5.3428 5.3428 6.2779 6.2779 9.1212 9.1212 9.2866 9.2866 9.3337 9.3337 10.3775 10.3775 10.7170 10.7170 11.1638 11.1638 k = 0.0562 0.1594-0.0000 ( 4251 PWs) bands (ev): 2.0388 2.0388 2.8599 2.8599 2.9924 2.9924 3.0903 3.0903 3.1631 3.1631 3.9757 3.9757 4.4367 4.4367 4.5583 4.5583 4.8585 4.8585 5.1328 5.1328 5.3483 5.3483 6.2926 6.2926 8.9980 8.9980 9.2647 9.2647 9.3504 9.3504 10.4071 10.4071 10.6234 10.6234 11.1536 11.1536 k = 0.0625 0.1771-0.0000 ( 4251 PWs) bands (ev): 2.0648 2.0648 2.8609 2.8609 2.9999 2.9999 3.0964 3.0964 3.1824 3.1824 3.9891 3.9891 4.4435 4.4435 4.5635 4.5635 4.8601 4.8601 5.1255 5.1255 5.3537 5.3537 6.3090 6.3090 8.8736 8.8736 9.2405 9.2405 9.3683 9.3683 10.4377 10.4377 10.5253 10.5253 11.1528 11.1528 k = 0.0687 0.1948-0.0000 ( 4261 PWs) bands (ev): 2.0926 2.0926 2.8622 2.8622 3.0073 3.0073 3.1030 3.1030 3.2038 3.2038 4.0033 4.0033 4.4512 4.4512 4.5698 4.5698 4.8616 4.8616 5.1184 5.1184 5.3590 5.3590 6.3269 6.3269 8.7494 8.7494 9.2136 9.2136 9.3866 9.3866 10.4100 10.4100 10.4857 10.4857 11.1600 11.1600 k = 0.0750 0.2125-0.0000 ( 4261 PWs) bands (ev): 2.1220 2.1220 2.8640 2.8640 3.0145 3.0145 3.1100 3.1100 3.2275 3.2275 4.0181 4.0181 4.4600 4.4600 4.5773 4.5773 4.8630 4.8630 5.1117 5.1117 5.3641 5.3641 6.3463 6.3463 8.6261 8.6261 9.1839 9.1839 9.4043 9.4043 10.3104 10.3104 10.5210 10.5210 11.1743 11.1743 k = 0.0812 0.2303-0.0000 ( 4269 PWs) bands (ev): 2.1526 2.1526 2.8662 2.8662 3.0214 3.0214 3.1174 3.1174 3.2534 3.2534 4.0332 4.0332 4.4696 4.4696 4.5866 4.5866 4.8640 4.8640 5.1056 5.1056 5.3689 5.3689 6.3672 6.3672 8.5041 8.5041 9.1514 9.1514 9.4197 9.4197 10.2113 10.2113 10.5617 10.5617 11.1950 11.1950 k = 0.0875 0.2480-0.0000 ( 4257 PWs) bands (ev): 2.1843 2.1843 2.8688 2.8688 3.0279 3.0279 3.1249 3.1249 3.2817 3.2817 4.0483 4.0483 4.4799 4.4799 4.5979 4.5979 4.8647 4.8647 5.1002 5.1002 5.3735 5.3735 6.3895 6.3895 8.3839 8.3839 9.1163 9.1163 9.4303 9.4303 10.1192 10.1192 10.6046 10.6046 11.2217 11.2217 k = 0.0937 0.2657-0.0000 ( 4257 PWs) bands (ev): 2.2166 2.2166 2.8719 2.8719 3.0340 3.0340 3.1326 3.1326 3.3122 3.3122 4.0633 4.0633 4.4907 4.4907 4.6117 4.6117 4.8649 4.8649 5.0956 5.0956 5.3778 5.3778 6.4132 6.4132 8.2659 8.2659 9.0785 9.0785 9.4323 9.4323 10.0391 10.0391 10.6487 10.6487 11.2541 11.2541 k = 0.0999 0.2834-0.0000 ( 4253 PWs) bands (ev): 2.2493 2.2493 2.8755 2.8755 3.0395 3.0395 3.1404 3.1404 3.3450 3.3450 4.0777 4.0777 4.5016 4.5016 4.6285 4.6285 4.8646 4.8646 5.0920 5.0920 5.3819 5.3819 6.4382 6.4382 8.1502 8.1502 9.0380 9.0380 9.4207 9.4207 9.9767 9.9767 10.6933 10.6933 11.2915 11.2915 k = 0.1062 0.3011-0.0000 ( 4261 PWs) bands (ev): 2.2820 2.2820 2.8795 2.8795 3.0444 3.0444 3.1481 3.1481 3.3799 3.3799 4.0915 4.0915 4.5126 4.5126 4.6487 4.6487 4.8637 4.8637 5.0895 5.0895 5.3857 5.3857 6.4646 6.4646 8.0371 8.0371 8.9950 8.9950 9.3912 9.3912 9.9371 9.9371 10.7373 10.7373 11.3322 11.3322 k = 0.1124 0.3188-0.0000 ( 4259 PWs) bands (ev): 2.3145 2.3145 2.8840 2.8840 3.0487 3.0487 3.1556 3.1556 3.4170 3.4170 4.1044 4.1044 4.5236 4.5236 4.6723 4.6723 4.8623 4.8623 5.0882 5.0882 5.3892 5.3892 6.4923 6.4923 7.9269 7.9269 8.9493 8.9493 9.3433 9.3433 9.9214 9.9214 10.7798 10.7798 11.3689 11.3689 k = 0.1187 0.3365-0.0000 ( 4257 PWs) bands (ev): 2.3463 2.3463 2.8890 2.8890 3.0525 3.0525 3.1629 3.1629 3.4558 3.4558 4.1162 4.1162 4.5345 4.5345 4.6995 4.6995 4.8604 4.8604 5.0883 5.0883 5.3926 5.3926 6.5213 6.5213 7.8199 7.8199 8.9008 8.9008 9.2809 9.2809 9.9263 9.9263 10.8196 10.8196 11.3667 11.3667 k = 0.1249 0.3542-0.0000 ( 4257 PWs) bands (ev): 2.3774 2.3774 2.8945 2.8945 3.0557 3.0557 3.1699 3.1699 3.4963 3.4963 4.1269 4.1269 4.5457 4.5457 4.7298 4.7298 4.8580 4.8580 5.0897 5.0897 5.3957 5.3957 6.5516 6.5516 7.7162 7.7162 8.8495 8.8495 9.2098 9.2098 9.9464 9.9464 10.8552 10.8552 11.3258 11.3258 k = 0.1312 0.3719-0.0000 ( 4261 PWs) bands (ev): 2.4073 2.4073 2.9003 2.9003 3.0583 3.0583 3.1765 3.1765 3.5379 3.5379 4.1364 4.1364 4.5573 4.5573 4.7629 4.7629 4.8554 4.8554 5.0926 5.0926 5.3986 5.3986 6.5833 6.5833 7.6161 7.6161 8.7951 8.7951 9.1347 9.1347 9.9774 9.9774 10.8852 10.8852 11.2783 11.2783 k = 0.1374 0.3897-0.0000 ( 4257 PWs) bands (ev): 2.4360 2.4360 2.9066 2.9066 3.0604 3.0604 3.1828 3.1828 3.5804 3.5804 4.1446 4.1446 4.5697 4.5697 4.7981 4.7981 4.8530 4.8530 5.0970 5.0970 5.4014 5.4014 6.6163 6.6163 7.5200 7.5200 8.7375 8.7375 9.0593 9.0593 10.0161 10.0161 10.9079 10.9079 11.2308 11.2308 k = 0.1437 0.4074-0.0000 ( 4257 PWs) bands (ev): 2.4632 2.4632 2.9133 2.9133 3.0620 3.0620 3.1886 3.1886 3.6231 3.6231 4.1516 4.1516 4.5831 4.5831 4.8334 4.8334 4.8521 4.8521 5.1031 5.1031 5.4042 5.4042 6.6506 6.6506 7.4282 7.4282 8.6768 8.6768 8.9856 8.9856 10.0605 10.0605 10.9217 10.9217 11.1846 11.1846 k = 0.1499 0.4251-0.0000 ( 4261 PWs) bands (ev): 2.4889 2.4889 2.9203 2.9203 3.0631 3.0631 3.1939 3.1939 3.6654 3.6654 4.1572 4.1572 4.5976 4.5976 4.8461 4.8461 4.8753 4.8753 5.1111 5.1111 5.4070 5.4070 6.6860 6.6860 7.3412 7.3412 8.6133 8.6133 8.9147 8.9147 10.1093 10.1093 10.9252 10.9252 11.1404 11.1404 k = 0.1562 0.4428-0.0000 ( 4269 PWs) bands (ev): 2.5129 2.5129 2.9275 2.9275 3.0638 3.0638 3.1987 3.1987 3.7068 3.7068 4.1615 4.1615 4.6132 4.6132 4.8458 4.8458 4.9125 4.9125 5.1212 5.1212 5.4100 5.4100 6.7221 6.7221 7.2601 7.2601 8.5476 8.5476 8.8470 8.8470 10.1617 10.1617 10.9176 10.9176 11.0984 11.0984 k = 0.1624 0.4605-0.0000 ( 4273 PWs) bands (ev): 2.5351 2.5351 2.9350 2.9350 3.0641 3.0641 3.2030 3.2030 3.7465 3.7465 4.1646 4.1646 4.6297 4.6297 4.8464 4.8464 4.9493 4.9493 5.1339 5.1339 5.4134 5.4134 6.7578 6.7578 7.1865 7.1865 8.4804 8.4804 8.7821 8.7821 10.2170 10.2170 10.8987 10.8987 11.0585 11.0585 k = 0.1687 0.4782-0.0000 ( 4261 PWs) bands (ev): 2.5557 2.5557 2.9426 2.9426 3.0640 3.0640 3.2068 3.2068 3.7839 3.7839 4.1664 4.1664 4.6465 4.6465 4.8489 4.8489 4.9844 4.9844 5.1495 5.1495 5.4173 5.4173 6.7905 6.7905 7.1234 7.1234 8.4128 8.4128 8.7197 8.7197 10.2748 10.2748 10.8689 10.8689 11.0208 11.0208 k = 0.1749 0.4959-0.0000 ( 4257 PWs) bands (ev): 2.5745 2.5745 2.9503 2.9503 3.0637 3.0637 3.2101 3.2101 3.8184 3.8184 4.1671 4.1671 4.6627 4.6627 4.8542 4.8542 5.0166 5.0166 5.1682 5.1682 5.4223 5.4223 6.8142 6.8142 7.0777 7.0777 8.3456 8.3456 8.6591 8.6591 10.3344 10.3344 10.8293 10.8293 10.9851 10.9851 k = 0.1812 0.5136-0.0000 ( 4259 PWs) bands (ev): 2.5915 2.5915 2.9579 2.9579 3.0632 3.0632 3.2128 3.2128 3.8495 3.8495 4.1668 4.1668 4.6774 4.6774 4.8626 4.8626 5.0455 5.0455 5.1898 5.1898 5.4289 5.4289 6.8187 6.8187 7.0603 7.0603 8.2798 8.2798 8.5996 8.5996 10.3954 10.3954 10.7817 10.7817 10.9515 10.9515 k = 0.1874 0.5314-0.0000 ( 4257 PWs) bands (ev): 2.6069 2.6069 2.9654 2.9654 3.0625 3.0625 3.2150 3.2150 3.8768 3.8768 4.1658 4.1658 4.6896 4.6896 4.8741 4.8741 5.0710 5.0710 5.2135 5.2135 5.4378 5.4378 6.8002 6.8002 7.0759 7.0759 8.2159 8.2159 8.5409 8.5409 10.4566 10.4566 10.7282 10.7282 10.9201 10.9201 k = 0.1936 0.5491-0.0000 ( 4251 PWs) bands (ev): 2.6206 2.6206 2.9728 2.9728 3.0618 3.0618 3.2167 3.2167 3.9000 3.9000 4.1642 4.1642 4.6990 4.6990 4.8881 4.8881 5.0932 5.0932 5.2378 5.2378 5.4498 5.4498 6.7685 6.7685 7.1157 7.1157 8.1546 8.1546 8.4825 8.4825 10.5140 10.5140 10.6740 10.6740 10.8912 10.8912 k = 0.1999 0.5668-0.0000 ( 4247 PWs) bands (ev): 2.6326 2.6326 2.9797 2.9797 3.0612 3.0612 3.2179 3.2179 3.9189 3.9189 4.1624 4.1624 4.7060 4.7060 4.9033 4.9033 5.1123 5.1123 5.2609 5.2609 5.4659 5.4659 6.7345 6.7345 7.1698 7.1698 8.0963 8.0963 8.4242 8.4242 10.5434 10.5434 10.6446 10.6446 10.8649 10.8649 k = 0.2061 0.5845-0.0000 ( 4250 PWs) bands (ev): 2.6430 2.6430 2.9863 2.9863 3.0607 3.0607 3.2186 3.2186 3.9335 3.9335 4.1608 4.1608 4.7110 4.7110 4.9185 4.9185 5.1280 5.1280 5.2813 5.2813 5.4866 5.4866 6.7046 6.7046 7.2332 7.2332 8.0414 8.0414 8.3659 8.3659 10.5039 10.5039 10.6809 10.6809 10.8419 10.8419 k = 0.2124 0.6022-0.0000 ( 4258 PWs) bands (ev): 2.6519 2.6519 2.9922 2.9922 3.0606 3.0606 3.2189 3.2189 3.9437 3.9437 4.1598 4.1598 4.7146 4.7146 4.9325 4.9325 5.1399 5.1399 5.2984 5.2984 5.5114 5.5114 6.6825 6.6825 7.3033 7.3033 7.9902 7.9902 8.3077 8.3077 10.4392 10.4392 10.7374 10.7374 10.8254 10.8254 k = 0.2186 0.6199-0.0000 ( 4254 PWs) bands (ev): 2.6593 2.6593 2.9974 2.9974 3.0609 3.0609 3.2188 3.2188 3.9496 3.9496 4.1595 4.1595 4.7175 4.7175 4.9447 4.9447 5.1473 5.1473 5.3117 5.3117 5.5387 5.5387 6.6709 6.6709 7.3786 7.3786 7.9429 7.9429 8.2500 8.2500 10.3693 10.3693 10.7722 10.7722 10.8381 10.8381 k = 0.2249 0.6376-0.0000 ( 4254 PWs) bands (ev): 2.6652 2.6652 3.0016 3.0016 3.0619 3.0619 3.2182 3.2182 3.9516 3.9516 4.1601 4.1601 4.7200 4.7200 4.9547 4.9547 5.1500 5.1500 5.3215 5.3215 5.5665 5.5665 6.6720 6.6720 7.4576 7.4576 7.8999 7.8999 8.1936 8.1936 10.2979 10.2979 10.7665 10.7665 10.8954 10.8954 k = 0.2311 0.6553-0.0000 ( 4252 PWs) bands (ev): 2.6696 2.6696 3.0049 3.0049 3.0635 3.0635 3.2172 3.2172 3.9499 3.9499 4.1617 4.1617 4.7223 4.7223 4.9625 4.9625 5.1478 5.1478 5.3279 5.3279 5.5922 5.5922 6.6874 6.6874 7.5380 7.5380 7.8614 7.8614 8.1403 8.1403 10.2267 10.2267 10.7533 10.7533 10.9635 10.9635 k = 0.2374 0.6730-0.0000 ( 4250 PWs) bands (ev): 2.6727 2.6727 3.0072 3.0072 3.0658 3.0658 3.2158 3.2158 3.9450 3.9450 4.1641 4.1641 4.7249 4.7249 4.9681 4.9681 5.1413 5.1413 5.3310 5.3310 5.6137 5.6137 6.7183 6.7183 7.6149 7.6149 7.8283 7.8283 8.0938 8.0938 10.1565 10.1565 10.7402 10.7402 11.0341 11.0341 k = 0.2436 0.6908-0.0000 ( 4246 PWs) bands (ev): 2.6744 2.6744 3.0085 3.0085 3.0687 3.0687 3.2140 3.2140 3.9375 3.9375 4.1670 4.1670 4.7277 4.7277 4.9712 4.9712 5.1309 5.1309 5.3308 5.3308 5.6299 5.6299 6.7649 6.7649 7.6765 7.6765 7.8036 7.8036 8.0630 8.0630 10.0880 10.0880 10.7286 10.7286 11.1056 11.1056 k = 0.2499 0.7085-0.0000 ( 4250 PWs) bands (ev): 2.6749 2.6749 3.0090 3.0090 3.0720 3.0720 3.2120 3.2120 3.9278 3.9278 4.1703 4.1703 4.7309 4.7309 4.9716 4.9716 5.1174 5.1174 5.3274 5.3274 5.6402 5.6402 6.8267 6.8267 7.7010 7.7010 7.7921 7.7921 8.0646 8.0646 10.0215 10.0215 10.7185 10.7185 11.1776 11.1776 k = 0.2561 0.7262-0.0000 ( 4250 PWs) bands (ev): 2.6741 2.6741 3.0089 3.0089 3.0755 3.0755 3.2096 3.2096 3.9165 3.9165 4.1737 4.1737 4.7345 4.7345 4.9688 4.9688 5.1020 5.1020 5.3209 5.3209 5.6451 5.6451 6.9022 6.9022 7.6861 7.6861 7.7830 7.7830 8.1113 8.1113 9.9577 9.9577 10.7101 10.7101 11.2497 11.2497 k = 0.2624 0.7439-0.0000 ( 4246 PWs) bands (ev): 2.6721 2.6721 3.0083 3.0083 3.0791 3.0791 3.2069 3.2069 3.9038 3.9038 4.1771 4.1771 4.7386 4.7386 4.9617 4.9617 5.0862 5.0862 5.3115 5.3115 5.6453 5.6453 6.9897 6.9897 7.6511 7.6511 7.7673 7.7673 8.1930 8.1930 9.8967 9.8967 10.7034 10.7034 11.3215 11.3215 k = 0.2686 0.7616-0.0000 ( 4250 PWs) bands (ev): 2.6690 2.6690 3.0074 3.0074 3.0824 3.0824 3.2040 3.2040 3.8901 3.8901 4.1803 4.1803 4.7430 4.7430 4.9492 4.9492 5.0716 5.0716 5.2993 5.2993 5.6418 5.6418 7.0874 7.0874 7.6042 7.6042 7.7525 7.7525 8.2936 8.2936 9.8390 9.8390 10.6982 10.6982 11.3929 11.3929 k = 0.2748 0.7793-0.0000 ( 4250 PWs) bands (ev): 2.6648 2.6648 3.0062 3.0062 3.0855 3.0855 3.2008 3.2008 3.8756 3.8756 4.1832 4.1832 4.7479 4.7479 4.9305 4.9305 5.0596 5.0596 5.2845 5.2845 5.6356 5.6356 7.1929 7.1929 7.5497 7.5497 7.7431 7.7431 8.4043 8.4043 9.7847 9.7847 10.6945 10.6945 11.4636 11.4636 k = 0.2811 0.7970-0.0000 ( 4254 PWs) bands (ev): 2.6597 2.6597 3.0048 3.0048 3.0882 3.0882 3.1975 3.1975 3.8605 3.8605 4.1856 4.1856 4.7530 4.7530 4.9060 4.9060 5.0503 5.0503 5.2674 5.2674 5.6274 5.6274 7.3028 7.3028 7.4927 7.4927 7.7398 7.7398 8.5210 8.5210 9.7342 9.7342 10.6923 10.6923 11.5334 11.5334 k = 0.2811 0.7970-0.0000 ( 4254 PWs) bands (ev): 2.6597 2.6597 3.0048 3.0048 3.0882 3.0882 3.1975 3.1975 3.8605 3.8605 4.1856 4.1856 4.7530 4.7530 4.9060 4.9060 5.0503 5.0503 5.2674 5.2674 5.6274 5.6274 7.3028 7.3028 7.4927 7.4927 7.7398 7.7398 8.5210 8.5210 9.7342 9.7342 10.6923 10.6923 11.5334 11.5334 k = 0.2624 0.7970-0.0000 ( 4251 PWs) bands (ev): 2.6616 2.6616 3.0053 3.0053 3.0877 3.0877 3.1982 3.1982 3.8659 3.8659 4.1846 4.1846 4.7512 4.7512 4.9147 4.9147 5.0535 5.0535 5.2734 5.2734 5.6299 5.6299 7.2528 7.2528 7.5237 7.5237 7.7430 7.7430 8.4845 8.4845 9.7436 9.7436 10.6861 10.6861 11.5191 11.5191 k = 0.2436 0.7970-0.0000 ( 4257 PWs) bands (ev): 2.6635 2.6635 3.0056 3.0056 3.0877 3.0877 3.1981 3.1981 3.8718 3.8718 4.1830 4.1830 4.7495 4.7495 4.9226 4.9226 5.0579 5.0579 5.2794 5.2794 5.6313 5.6313 7.1895 7.1895 7.5648 7.5648 7.7535 7.7535 8.4538 8.4538 9.7397 9.7397 10.6669 10.6669 11.5221 11.5221 k = 0.2249 0.7970-0.0000 ( 4253 PWs) bands (ev): 2.6655 2.6655 3.0058 3.0058 3.0883 3.0883 3.1973 3.1973 3.8781 3.8781 4.1809 4.1809 4.7479 4.7479 4.9293 4.9293 5.0638 5.0638 5.2852 5.2852 5.6318 5.6318 7.1233 7.1233 7.6033 7.6033 7.7736 7.7736 8.4291 8.4291 9.7231 9.7231 10.6364 10.6364 11.5405 11.5405 k = 0.2061 0.7970-0.0000 ( 4252 PWs) bands (ev): 2.6675 2.6675 3.0058 3.0058 3.0896 3.0896 3.1956 3.1956 3.8850 3.8850 4.1781 4.1781 4.7463 4.7463 4.9347 4.9347 5.0712 5.0712 5.2909 5.2909 5.6315 5.6315 7.0578 7.0578 7.6337 7.6337 7.8050 7.8050 8.4105 8.4105 9.6952 9.6952 10.5977 10.5977 11.5699 11.5699 k = 0.1874 0.7970-0.0000 ( 4254 PWs) bands (ev): 2.6695 2.6695 3.0059 3.0059 3.0914 3.0914 3.1932 3.1932 3.8921 3.8921 4.1749 4.1749 4.7450 4.7450 4.9387 4.9387 5.0800 5.0800 5.2965 5.2965 5.6305 5.6305 6.9947 6.9947 7.6553 7.6553 7.8461 7.8461 8.3982 8.3982 9.6573 9.6573 10.5538 10.5538 11.5466 11.5466 k = 0.1687 0.7970-0.0000 ( 4252 PWs) bands (ev): 2.6715 2.6715 3.0058 3.0058 3.0939 3.0939 3.1900 3.1900 3.8995 3.8995 4.1711 4.1711 4.7439 4.7439 4.9413 4.9413 5.0899 5.0899 5.3018 5.3018 5.6291 5.6291 6.9350 6.9350 7.6705 7.6705 7.8927 7.8927 8.3925 8.3925 9.6112 9.6112 10.5077 10.5077 11.4767 11.4767 k = 0.1499 0.7970-0.0000 ( 4249 PWs) bands (ev): 2.6734 2.6734 3.0056 3.0056 3.0969 3.0969 3.1862 3.1862 3.9071 3.9071 4.1669 4.1669 4.7429 4.7429 4.9428 4.9428 5.1005 5.1005 5.3068 5.3068 5.6273 5.6273 6.8794 6.8794 7.6819 7.6819 7.9405 7.9405 8.3937 8.3937 9.5588 9.5588 10.4617 10.4617 11.4109 11.4109 k = 0.1312 0.7970-0.0000 ( 4253 PWs) bands (ev): 2.6752 2.6752 3.0055 3.0055 3.1005 3.1005 3.1817 3.1817 3.9146 3.9146 4.1624 4.1624 4.7422 4.7422 4.9434 4.9434 5.1113 5.1113 5.3114 5.3114 5.6254 5.6254 6.8287 6.8287 7.6910 7.6910 7.9861 7.9861 8.4024 8.4024 9.5020 9.5020 10.4175 10.4175 11.3510 11.3510 k = 0.1124 0.7970-0.0000 ( 4259 PWs) bands (ev): 2.6769 2.6769 3.0053 3.0053 3.1047 3.1047 3.1767 3.1767 3.9218 3.9218 4.1577 4.1577 4.7416 4.7416 4.9433 4.9433 5.1220 5.1220 5.3156 5.3156 5.6236 5.6236 6.7833 6.7833 7.6985 7.6985 8.0269 8.0269 8.4186 8.4186 9.4429 9.4429 10.3767 10.3767 11.2978 11.2978 k = 0.0937 0.7970-0.0000 ( 4250 PWs) bands (ev): 2.6784 2.6784 3.0051 3.0051 3.1093 3.1093 3.1713 3.1713 3.9287 3.9287 4.1532 4.1532 4.7413 4.7413 4.9428 4.9428 5.1319 5.1319 5.3193 5.3193 5.6219 5.6219 6.7438 6.7438 7.7049 7.7049 8.0612 8.0612 8.4417 8.4417 9.3836 9.3836 10.3403 10.3403 11.2517 11.2517 k = 0.0750 0.7970-0.0000 ( 4251 PWs) bands (ev): 2.6797 2.6797 3.0049 3.0049 3.1144 3.1144 3.1656 3.1656 3.9348 3.9348 4.1489 4.1489 4.7411 4.7411 4.9420 4.9420 5.1407 5.1407 5.3224 5.3224 5.6204 5.6204 6.7107 6.7107 7.7101 7.7101 8.0881 8.0881 8.4701 8.4701 9.3268 9.3268 10.3094 10.3094 11.2133 11.2133 k = 0.0562 0.7970-0.0000 ( 4255 PWs) bands (ev): 2.6807 2.6807 3.0047 3.0047 3.1198 3.1198 3.1596 3.1596 3.9400 3.9400 4.1452 4.1452 4.7409 4.7409 4.9413 4.9413 5.1479 5.1479 5.3249 5.3249 5.6193 5.6193 6.6844 6.6844 7.7143 7.7143 8.1079 8.1079 8.5003 8.5003 9.2755 9.2755 10.2846 10.2846 11.1831 11.1831 k = 0.0375 0.7970-0.0000 ( 4254 PWs) bands (ev): 2.6815 2.6815 3.0046 3.0046 3.1252 3.1252 3.1537 3.1537 3.9439 3.9439 4.1423 4.1423 4.7409 4.7409 4.9406 4.9406 5.1533 5.1533 5.3267 5.3267 5.6184 5.6184 6.6653 6.6653 7.7173 7.7173 8.1213 8.1213 8.5278 8.5278 9.2338 9.2338 10.2665 10.2665 11.1612 11.1612 k = 0.0187 0.7970-0.0000 ( 4258 PWs) bands (ev): 2.6819 2.6819 3.0045 3.0045 3.1303 3.1303 3.1483 3.1483 3.9464 3.9464 4.1405 4.1405 4.7409 4.7409 4.9402 4.9402 5.1567 5.1567 5.3277 5.3277 5.6180 5.6180 6.6537 6.6537 7.7192 7.7192 8.1290 8.1290 8.5474 8.5474 9.2061 9.2061 10.2555 10.2555 11.1480 11.1480 k = 0.0000 0.7970-0.0000 ( 4252 PWs) bands (ev): 2.6821 2.6821 3.0044 3.0044 3.1330 3.1330 3.1456 3.1456 3.9472 3.9472 4.1399 4.1399 4.7408 4.7408 4.9401 4.9401 5.1578 5.1578 5.3281 5.3281 5.6178 5.6178 6.6498 6.6498 7.7198 7.7198 8.1314 8.1314 8.5545 8.5545 9.1963 9.1963 10.2518 10.2518 11.1435 11.1435 k = 0.0000 0.7970-0.0000 ( 4252 PWs) bands (ev): 2.6821 2.6821 3.0044 3.0044 3.1330 3.1330 3.1456 3.1456 3.9472 3.9472 4.1399 4.1399 4.7408 4.7408 4.9401 4.9401 5.1578 5.1578 5.3281 5.3281 5.6178 5.6178 6.6498 6.6498 7.7198 7.7198 8.1314 8.1314 8.5545 8.5545 9.1963 9.1963 10.2518 10.2518 11.1435 11.1435 k = 0.0000 0.7970 0.0188 ( 4256 PWs) bands (ev): 2.6806 2.6806 3.0043 3.0043 3.1289 3.1289 3.1503 3.1503 3.9468 3.9468 4.1413 4.1413 4.7417 4.7417 4.9393 4.9393 5.1597 5.1597 5.3281 5.3281 5.6161 5.6161 6.6492 6.6492 7.7142 7.7142 8.1258 8.1258 8.5736 8.5736 9.1932 9.1932 10.2505 10.2505 11.1365 11.1365 k = 0.0000 0.7970 0.0376 ( 4262 PWs) bands (ev): 2.6763 2.6763 3.0037 3.0037 3.1219 3.1219 3.1588 3.1588 3.9455 3.9455 4.1457 4.1457 4.7442 4.7442 4.9369 4.9369 5.1654 5.1654 5.3282 5.3282 5.6109 5.6109 6.6472 6.6472 7.6986 7.6986 8.1133 8.1133 8.6256 8.6256 9.1842 9.1842 10.2465 10.2465 11.1159 11.1159 k = 0.0000 0.7970 0.0565 ( 4258 PWs) bands (ev): 2.6694 2.6694 3.0027 3.0027 3.1148 3.1148 3.1687 3.1687 3.9437 3.9437 4.1526 4.1526 4.7483 4.7483 4.9329 4.9329 5.1750 5.1750 5.3283 5.3283 5.6026 5.6026 6.6427 6.6427 7.6759 7.6759 8.1019 8.1019 8.6997 8.6997 9.1698 9.1698 10.2400 10.2400 11.0830 11.0830 k = 0.0000 0.7970 0.0753 ( 4266 PWs) bands (ev): 2.6601 2.6601 3.0011 3.0011 3.1078 3.1078 3.1793 3.1793 3.9415 3.9415 4.1616 4.1616 4.7540 4.7540 4.9269 4.9269 5.1886 5.1886 5.3285 5.3285 5.5915 5.5915 6.6342 6.6342 7.6509 7.6509 8.0964 8.0964 8.7866 8.7866 9.1514 9.1514 10.2309 10.2309 11.0394 11.0394 k = 0.0000 0.7970 0.0941 ( 4268 PWs) bands (ev): 2.6489 2.6489 2.9988 2.9988 3.1010 3.1010 3.1906 3.1906 3.9392 3.9392 4.1723 4.1723 4.7613 4.7613 4.9191 4.9191 5.2058 5.2058 5.3290 5.3290 5.5782 5.5782 6.6201 6.6201 7.6288 7.6288 8.0981 8.0981 8.8777 8.8777 9.1321 9.1321 10.2196 10.2196 10.9871 10.9871 k = 0.0000 0.7970 0.1129 ( 4266 PWs) bands (ev): 2.6361 2.6361 2.9957 2.9957 3.0946 3.0946 3.2025 3.2025 3.9371 3.9371 4.1842 4.1842 4.7699 4.7699 4.9093 4.9093 5.2264 5.2264 5.3300 5.3300 5.5630 5.5630 6.5989 6.5989 7.6144 7.6144 8.1064 8.1064 8.9588 8.9588 9.1233 9.1233 10.2062 10.2062 10.9283 10.9283 k = 0.0000 0.7970 0.1318 ( 4258 PWs) bands (ev): 2.6221 2.6221 2.9916 2.9916 3.0884 3.0884 3.2147 3.2147 3.9352 3.9352 4.1969 4.1969 4.7798 4.7798 4.8977 4.8977 5.2491 5.2491 5.3325 5.3325 5.5467 5.5467 6.5699 6.5699 7.6108 7.6108 8.1206 8.1206 8.9938 8.9938 9.1588 9.1588 10.1908 10.1908 10.8647 10.8647 k = 0.0000 0.7970 0.1506 ( 4258 PWs) bands (ev): 2.6073 2.6073 2.9866 2.9866 3.0826 3.0826 3.2272 3.2272 3.9338 3.9338 4.2102 4.2102 4.7904 4.7904 4.8847 4.8847 5.2711 5.2711 5.3390 5.3390 5.5297 5.5297 6.5334 6.5334 7.6197 7.6197 8.1398 8.1398 8.9789 8.9789 9.2410 9.2410 10.1738 10.1738 10.7981 10.7981 k = 0.0000 0.7970 0.1694 ( 4258 PWs) bands (ev): 2.5921 2.5921 2.9804 2.9804 3.0773 3.0773 3.2397 3.2397 3.9328 3.9328 4.2238 4.2238 4.8010 4.8010 4.8708 4.8708 5.2870 5.2870 5.3543 5.3543 5.5127 5.5127 6.4903 6.4903 7.6410 7.6410 8.1632 8.1632 8.9468 8.9468 9.3360 9.3360 10.1554 10.1554 10.7302 10.7302 k = 0.0000 0.7970 0.1882 ( 4252 PWs) bands (ev): 2.5768 2.5768 2.9732 2.9732 3.0726 3.0726 3.2520 3.2520 3.9323 3.9323 4.2374 4.2374 4.8099 4.8099 4.8579 4.8579 5.2939 5.2939 5.3804 5.3804 5.4965 5.4965 6.4424 6.4424 7.6738 7.6738 8.1903 8.1903 8.9092 8.9092 9.4309 9.4309 10.1360 10.1360 10.6625 10.6625 k = 0.0000 0.7970 0.2070 ( 4246 PWs) bands (ev): 2.5618 2.5618 2.9648 2.9648 3.0686 3.0686 3.2640 3.2640 3.9322 3.9322 4.2509 4.2509 4.8115 4.8115 4.8512 4.8512 5.2947 5.2947 5.4126 5.4126 5.4830 5.4830 6.3916 6.3916 7.7168 7.7168 8.2205 8.2205 8.8699 8.8699 9.5209 9.5209 10.1158 10.1158 10.5965 10.5965 k = 0.0000 0.7970 0.2259 ( 4242 PWs) bands (ev): 2.5472 2.5472 2.9552 2.9552 3.0654 3.0654 3.2755 3.2755 3.9327 3.9327 4.2642 4.2642 4.8012 4.8012 4.8553 4.8553 5.2923 5.2923 5.4386 5.4386 5.4814 5.4814 6.3396 6.3396 7.7683 7.7683 8.2530 8.2530 8.8309 8.8309 9.6026 9.6026 10.0951 10.0951 10.5341 10.5341 k = 0.0000 0.7970 0.2447 ( 4256 PWs) bands (ev): 2.5333 2.5333 2.9445 2.9445 3.0629 3.0629 3.2862 3.2862 3.9338 3.9338 4.2772 4.2772 4.7844 4.7844 4.8645 4.8645 5.2879 5.2879 5.4383 5.4383 5.5102 5.5102 6.2882 6.2882 7.8268 7.8268 8.2869 8.2869 8.7940 8.7940 9.6728 9.6728 10.0743 10.0743 10.4774 10.4774 k = 0.0000 0.7970 0.2635 ( 4258 PWs) bands (ev): 2.5203 2.5203 2.9326 2.9326 3.0614 3.0614 3.2960 3.2960 3.9354 3.9354 4.2897 4.2897 4.7652 4.7652 4.8747 4.8747 5.2822 5.2822 5.4283 5.4283 5.5519 5.5519 6.2387 6.2387 7.8911 7.8911 8.3211 8.3211 8.7610 8.7610 9.7280 9.7280 10.0537 10.0537 10.4287 10.4287 k = 0.0000 0.7970 0.2823 ( 4260 PWs) bands (ev): 2.5084 2.5084 2.9195 2.9195 3.0609 3.0609 3.3046 3.3046 3.9376 3.9376 4.3017 4.3017 4.7450 4.7450 4.8842 4.8842 5.2757 5.2757 5.4178 5.4178 5.5966 5.5966 6.1922 6.1922 7.9599 7.9599 8.3536 8.3536 8.7344 8.7344 9.7650 9.7650 10.0334 10.0334 10.3905 10.3905 k = 0.0000 0.7970 0.3012 ( 4256 PWs) bands (ev): 2.4978 2.4978 2.9053 2.9053 3.0613 3.0613 3.3121 3.3121 3.9405 3.9405 4.3129 4.3129 4.7245 4.7245 4.8922 4.8922 5.2690 5.2690 5.4081 5.4081 5.6421 5.6421 6.1496 6.1496 8.0319 8.0319 8.3818 8.3818 8.7173 8.7173 9.7818 9.7818 10.0138 10.0138 10.3640 10.3640 k = 0.0000 0.7970 0.3200 ( 4254 PWs) bands (ev): 2.4886 2.4886 2.8901 2.8901 3.0628 3.0628 3.3180 3.3180 3.9443 3.9443 4.3231 4.3231 4.7043 4.7043 4.8982 4.8982 5.2625 5.2625 5.3993 5.3993 5.6872 5.6872 6.1116 6.1116 8.1061 8.1061 8.4030 8.4030 8.7132 8.7132 9.7785 9.7785 9.9952 9.9952 10.3482 10.3482 k = 0.0000 0.7970 0.3388 ( 4252 PWs) bands (ev): 2.4810 2.4810 2.8738 2.8738 3.0653 3.0653 3.3225 3.3225 3.9489 3.9489 4.3320 4.3320 4.6848 4.6848 4.9018 4.9018 5.2567 5.2567 5.3914 5.3914 5.7310 5.7310 6.0787 6.0787 8.1810 8.1810 8.4155 8.4155 8.7242 8.7242 9.7583 9.7583 9.9780 9.9780 10.3397 10.3397 k = 0.0000 0.7970 0.3576 ( 4254 PWs) bands (ev): 2.4749 2.4749 2.8565 2.8565 3.0688 3.0688 3.3252 3.3252 3.9546 3.9546 4.3391 4.3391 4.6666 4.6666 4.9028 4.9028 5.2520 5.2520 5.3842 5.3842 5.7726 5.7726 6.0514 6.0514 8.2545 8.2545 8.4214 8.4214 8.7496 8.7496 9.7258 9.7258 9.9624 9.9624 10.3337 10.3337 k = 0.0000 0.7970 0.3764 ( 4252 PWs) bands (ev): 2.4706 2.4706 2.8383 2.8383 3.0734 3.0734 3.3263 3.3263 3.9613 3.9613 4.3438 4.3438 4.6504 4.6504 4.9010 4.9010 5.2488 5.2488 5.3774 5.3774 5.8110 5.8110 6.0300 6.0300 8.3218 8.3218 8.4279 8.4279 8.7862 8.7862 9.6855 9.6855 9.9486 9.9486 10.3263 10.3263 k = 0.0000 0.7970 0.3953 ( 4250 PWs) bands (ev): 2.4680 2.4680 2.8193 2.8193 3.0791 3.0791 3.3255 3.3255 3.9692 3.9692 4.3457 4.3457 4.6370 4.6370 4.8964 4.8964 5.2472 5.2472 5.3711 5.3711 5.8449 5.8449 6.0151 6.0151 8.3677 8.3677 8.4526 8.4526 8.8306 8.8306 9.6411 9.6411 9.9367 9.9367 10.3146 10.3146 k = 0.0000 0.7970 0.4141 ( 4246 PWs) bands (ev): 2.4672 2.4672 2.7995 2.7995 3.0858 3.0858 3.3230 3.3230 3.9784 3.9784 4.3440 4.3440 4.6271 4.6271 4.8893 4.8893 5.2472 5.2472 5.3650 5.3650 5.8734 5.8734 6.0070 6.0070 8.3839 8.3839 8.5052 8.5052 8.8797 8.8797 9.5954 9.5954 9.9268 9.9268 10.2974 10.2974 k = 0.0000 0.7970 0.4329 ( 4250 PWs) bands (ev): 2.4682 2.4682 2.7791 2.7791 3.0934 3.0934 3.3188 3.3188 3.9888 3.9888 4.3385 4.3385 4.6211 4.6211 4.8797 4.8797 5.2486 5.2486 5.3591 5.3591 5.8954 5.8954 6.0059 6.0059 8.3907 8.3907 8.5658 8.5658 8.9315 8.9315 9.5506 9.5506 9.9188 9.9188 10.2744 10.2744 k = 0.0000 0.7970 0.4517 ( 4250 PWs) bands (ev): 2.4711 2.4711 2.7582 2.7582 3.1020 3.1020 3.3130 3.3130 4.0005 4.0005 4.3292 4.3292 4.6193 4.6193 4.8681 4.8681 5.2512 5.2512 5.3532 5.3532 5.9114 5.9114 6.0106 6.0106 8.3984 8.3984 8.6232 8.6232 8.9845 8.9845 9.5085 9.5085 9.9127 9.9127 10.2459 10.2459 k = 0.0000 0.7970 0.4706 ( 4248 PWs) bands (ev): 2.4758 2.4758 2.7370 2.7370 3.1115 3.1115 3.3056 3.3056 4.0135 4.0135 4.3163 4.3163 4.6214 4.6214 4.8548 4.8548 5.2550 5.2550 5.3474 5.3474 5.9232 5.9232 6.0186 6.0186 8.4099 8.4099 8.6730 8.6730 9.0376 9.0376 9.4711 9.4711 9.9086 9.9086 10.2130 10.2130 k = 0.0000 0.7970 0.4894 ( 4256 PWs) bands (ev): 2.4823 2.4823 2.7155 2.7155 3.1219 3.1219 3.2968 3.2968 4.0278 4.0278 4.3005 4.3005 4.6270 4.6270 4.8402 4.8402 5.2595 5.2595 5.3417 5.3417 5.9334 5.9334 6.0270 6.0270 8.4263 8.4263 8.7123 8.7123 9.0896 9.0896 9.4398 9.4398 9.9063 9.9063 10.1769 10.1769 k = 0.0000 0.7970 0.5082 ( 4252 PWs) bands (ev): 2.4906 2.4906 2.6940 2.6940 3.1330 3.1330 3.2868 3.2868 4.0432 4.0432 4.2824 4.2824 4.6355 4.6355 4.8245 4.8245 5.2646 5.2646 5.3359 5.3359 5.9434 5.9434 6.0336 6.0336 8.4475 8.4475 8.7389 8.7389 9.1397 9.1397 9.4160 9.4160 9.9058 9.9058 10.1390 10.1390 k = 0.0000 0.7970 0.5270 ( 4256 PWs) bands (ev): 2.5005 2.5005 2.6726 2.6726 3.1448 3.1448 3.2757 3.2757 4.0598 4.0598 4.2627 4.2627 4.6464 4.6464 4.8079 4.8079 5.2701 5.2701 5.3301 5.3301 5.9540 5.9540 6.0374 6.0374 8.4735 8.4735 8.7513 8.7513 9.1870 9.1870 9.3996 9.3996 9.9072 9.9072 10.1008 10.1008 k = 0.0000 0.7970 0.5458 ( 4258 PWs) bands (ev): 2.5122 2.5122 2.6515 2.6515 3.1572 3.1572 3.2638 3.2638 4.0774 4.0774 4.2419 4.2419 4.6591 4.6591 4.7909 4.7909 5.2759 5.2759 5.3243 5.3243 5.9654 5.9654 6.0380 6.0380 8.5037 8.5037 8.7498 8.7498 9.2307 9.2307 9.3895 9.3895 9.9104 9.9104 10.0638 10.0638 k = 0.0000 0.7970 0.5647 ( 4256 PWs) bands (ev): 2.5254 2.5254 2.6308 2.6308 3.1702 3.1702 3.2511 3.2511 4.0959 4.0959 4.2206 4.2206 4.6732 4.6732 4.7735 4.7735 5.2819 5.2819 5.3184 5.3184 5.9773 5.9773 6.0354 6.0354 8.5373 8.5373 8.7359 8.7359 9.2699 9.2699 9.3829 9.3829 9.9159 9.9159 10.0295 10.0295 k = 0.0000 0.7970 0.5835 ( 4260 PWs) bands (ev): 2.5400 2.5400 2.6108 2.6108 3.1835 3.1835 3.2380 3.2380 4.1153 4.1153 4.1990 4.1990 4.6885 4.6885 4.7560 4.7560 5.2880 5.2880 5.3124 5.3124 5.9895 5.9895 6.0300 6.0300 8.5733 8.5733 8.7124 8.7124 9.3037 9.3037 9.3765 9.3765 9.9242 9.9242 9.9989 9.9989 k = 0.0000 0.7970 0.6023 ( 4258 PWs) bands (ev): 2.5560 2.5560 2.5916 2.5916 3.1971 3.1971 3.2245 3.2245 4.1355 4.1355 4.1775 4.1775 4.7046 4.7046 4.7386 4.7386 5.2942 5.2942 5.3064 5.3064 6.0013 6.0013 6.0222 6.0222 8.6104 8.6104 8.6820 8.6820 9.3314 9.3314 9.3671 9.3671 9.9360 9.9360 9.9730 9.9730 k = 0.0000 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5732 2.5732 2.5732 2.5732 3.2108 3.2108 3.2108 3.2108 4.1563 4.1563 4.1563 4.1563 4.7214 4.7214 4.7214 4.7214 5.3003 5.3003 5.3003 5.3003 6.0124 6.0124 6.0124 6.0124 8.6473 8.6473 8.6473 8.6473 9.3525 9.3525 9.3525 9.3525 9.9520 9.9520 9.9520 9.9520 k = 0.0000 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5732 2.5732 2.5732 2.5732 3.2108 3.2108 3.2108 3.2108 4.1563 4.1563 4.1563 4.1563 4.7214 4.7214 4.7214 4.7214 5.3003 5.3003 5.3003 5.3003 6.0124 6.0124 6.0124 6.0124 8.6473 8.6473 8.6473 8.6473 9.3525 9.3525 9.3525 9.3525 9.9520 9.9520 9.9520 9.9520 k = 0.0187 0.7970 0.6211 ( 4258 PWs) bands (ev): 2.5722 2.5722 2.5743 2.5743 3.2041 3.2041 3.2172 3.2172 4.1522 4.1522 4.1605 4.1605 4.7073 4.7073 4.7360 4.7360 5.2968 5.2968 5.3037 5.3037 6.0106 6.0106 6.0147 6.0147 8.6235 8.6235 8.6659 8.6659 9.3436 9.3436 9.3622 9.3622 9.9444 9.9444 9.9658 9.9658 k = 0.0375 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5713 2.5713 2.5755 2.5755 3.1973 3.1973 3.2233 3.2233 4.1484 4.1484 4.1649 4.1649 4.6939 4.6939 4.7510 4.7510 5.2931 5.2931 5.3069 5.3069 6.0092 6.0092 6.0173 6.0173 8.5956 8.5956 8.6788 8.6788 9.3362 9.3362 9.3722 9.3722 9.9429 9.9429 9.9853 9.9853 k = 0.0562 0.7970 0.6211 ( 4258 PWs) bands (ev): 2.5705 2.5705 2.5766 2.5766 3.1903 3.1903 3.2290 3.2290 4.1448 4.1448 4.1692 4.1692 4.6813 4.6813 4.7663 4.7663 5.2894 5.2894 5.3099 5.3099 6.0082 6.0082 6.0203 6.0203 8.5645 8.5645 8.6855 8.6855 9.3310 9.3310 9.3822 9.3822 9.9472 9.9472 10.0097 10.0097 k = 0.0750 0.7970 0.6211 ( 4262 PWs) bands (ev): 2.5698 2.5698 2.5779 2.5779 3.1834 3.1834 3.2343 3.2343 4.1416 4.1416 4.1736 4.1736 4.6696 4.6696 4.7815 4.7815 5.2855 5.2855 5.3127 5.3127 6.0076 6.0076 6.0236 6.0236 8.5313 8.5313 8.6863 8.6863 9.3282 9.3282 9.3920 9.3920 9.9566 9.9566 10.0382 10.0382 k = 0.0937 0.7970 0.6211 ( 4264 PWs) bands (ev): 2.5692 2.5692 2.5791 2.5791 3.1766 3.1766 3.2391 3.2391 4.1387 4.1387 4.1778 4.1778 4.6589 4.6589 4.7965 4.7965 5.2816 5.2816 5.3152 5.3152 6.0073 6.0073 6.0273 6.0273 8.4970 8.4970 8.6816 8.6816 9.3281 9.3281 9.4016 9.4016 9.9703 9.9703 10.0696 10.0696 k = 0.1124 0.7970 0.6211 ( 4262 PWs) bands (ev): 2.5688 2.5688 2.5805 2.5805 3.1700 3.1700 3.2433 3.2433 4.1362 4.1362 4.1818 4.1818 4.6492 4.6492 4.8111 4.8111 5.2776 5.2776 5.3174 5.3174 6.0074 6.0074 6.0312 6.0312 8.4625 8.4625 8.6723 8.6723 9.3306 9.3306 9.4110 9.4110 9.9872 9.9872 10.1026 10.1026 k = 0.1312 0.7970 0.6211 ( 4264 PWs) bands (ev): 2.5686 2.5686 2.5818 2.5818 3.1636 3.1636 3.2469 3.2469 4.1341 4.1341 4.1856 4.1856 4.6405 4.6405 4.8250 4.8250 5.2735 5.2735 5.3193 5.3193 6.0078 6.0078 6.0353 6.0353 8.4289 8.4289 8.6596 8.6596 9.3354 9.3354 9.4203 9.4203 10.0062 10.0062 10.1361 10.1361 k = 0.1499 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5685 2.5685 2.5833 2.5833 3.1575 3.1575 3.2500 3.2500 4.1324 4.1324 4.1891 4.1891 4.6329 4.6329 4.8380 4.8380 5.2693 5.2693 5.3206 5.3206 6.0084 6.0084 6.0396 6.0396 8.3968 8.3968 8.6448 8.6448 9.3422 9.3422 9.4297 9.4297 10.0261 10.0261 10.1689 10.1689 k = 0.1687 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5687 2.5687 2.5847 2.5847 3.1519 3.1519 3.2525 3.2525 4.1311 4.1311 4.1921 4.1921 4.6263 4.6263 4.8498 4.8498 5.2651 5.2651 5.3215 5.3215 6.0093 6.0093 6.0439 6.0439 8.3672 8.3672 8.6289 8.6289 9.3506 9.3506 9.4390 9.4390 10.0457 10.0457 10.1998 10.1998 k = 0.1874 0.7970 0.6211 ( 4258 PWs) bands (ev): 2.5691 2.5691 2.5863 2.5863 3.1467 3.1467 3.2545 3.2545 4.1302 4.1302 4.1948 4.1948 4.6206 4.6206 4.8602 4.8602 5.2608 5.2608 5.3218 5.3218 6.0104 6.0104 6.0481 6.0481 8.3406 8.3406 8.6132 8.6132 9.3602 9.3602 9.4485 9.4485 10.0640 10.0640 10.2279 10.2279 k = 0.2061 0.7970 0.6211 ( 4256 PWs) bands (ev): 2.5697 2.5697 2.5879 2.5879 3.1421 3.1421 3.2558 3.2558 4.1297 4.1297 4.1970 4.1970 4.6159 4.6159 4.8690 4.8690 5.2565 5.2565 5.3213 5.3213 6.0115 6.0115 6.0522 6.0522 8.3176 8.3176 8.5985 8.5985 9.3707 9.3707 9.4581 9.4581 10.0800 10.0800 10.2522 10.2522 k = 0.2249 0.7970 0.6211 ( 4256 PWs) bands (ev): 2.5706 2.5706 2.5896 2.5896 3.1380 3.1380 3.2567 3.2567 4.1297 4.1297 4.1987 4.1987 4.6121 4.6121 4.8761 4.8761 5.2523 5.2523 5.3202 5.3202 6.0127 6.0127 6.0559 6.0559 8.2988 8.2988 8.5855 8.5855 9.3818 9.3818 9.4678 9.4678 10.0927 10.0927 10.2721 10.2721 k = 0.2436 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5717 2.5717 2.5913 2.5913 3.1345 3.1345 3.2570 3.2570 4.1300 4.1300 4.2000 4.2000 4.6091 4.6091 4.8813 4.8813 5.2481 5.2481 5.3183 5.3183 6.0139 6.0139 6.0593 6.0593 8.2845 8.2845 8.5749 8.5749 9.3934 9.3934 9.4775 9.4775 10.1016 10.1016 10.2868 10.2868 k = 0.2624 0.7970 0.6211 ( 4260 PWs) bands (ev): 2.5730 2.5730 2.5931 2.5931 3.1318 3.1318 3.2569 3.2569 4.1307 4.1307 4.2007 4.2007 4.6069 4.6069 4.8845 4.8845 5.2439 5.2439 5.3155 5.3155 6.0150 6.0150 6.0621 6.0621 8.2751 8.2751 8.5671 8.5671 9.4052 9.4052 9.4871 9.4871 10.1059 10.1059 10.2959 10.2959 k = 0.2811 0.7970 0.6211 ( 4254 PWs) bands (ev): 2.5745 2.5745 2.5949 2.5949 3.1297 3.1297 3.2563 3.2563 4.1318 4.1318 4.2010 4.2010 4.6055 4.6055 4.8856 4.8856 5.2398 5.2398 5.3119 5.3119 6.0159 6.0159 6.0642 6.0642 8.2707 8.2707 8.5623 8.5623 9.4171 9.4171 9.4964 9.4964 10.1055 10.1055 10.2992 10.2992 k = 0.2811 0.7970 0.6211 ( 4254 PWs) bands (ev): 2.5745 2.5745 2.5949 2.5949 3.1297 3.1297 3.2563 3.2563 4.1318 4.1318 4.2010 4.2010 4.6055 4.6055 4.8856 4.8856 5.2398 5.2398 5.3119 5.3119 6.0159 6.0159 6.0642 6.0642 8.2707 8.2707 8.5623 8.5623 9.4171 9.4171 9.4964 9.4964 10.1055 10.1055 10.2992 10.2992 k = 0.2748 0.7793 0.6211 ( 4258 PWs) bands (ev): 2.5700 2.5700 2.5897 2.5897 3.1350 3.1350 3.2585 3.2585 4.1283 4.1283 4.2007 4.2007 4.6090 4.6090 4.8845 4.8845 5.2512 5.2512 5.3230 5.3230 6.0133 6.0133 6.0585 6.0585 8.2752 8.2752 8.5704 8.5704 9.3841 9.3841 9.4703 9.4703 10.1147 10.1147 10.2988 10.2988 k = 0.2686 0.7616 0.6211 ( 4254 PWs) bands (ev): 2.5662 2.5662 2.5850 2.5850 3.1405 3.1405 3.2606 3.2606 4.1252 4.1252 4.1999 4.1999 4.6130 4.6130 4.8820 4.8820 5.2608 5.2608 5.3319 5.3319 6.0104 6.0104 6.0523 6.0523 8.2781 8.2781 8.5754 8.5754 9.3568 9.3568 9.4473 9.4473 10.1242 10.1242 10.2990 10.2990 k = 0.2624 0.7439 0.6211 ( 4254 PWs) bands (ev): 2.5631 2.5631 2.5809 2.5809 3.1462 3.1462 3.2626 3.2626 4.1225 4.1225 4.1987 4.1987 4.6174 4.6174 4.8782 4.8782 5.2682 5.2682 5.3383 5.3383 6.0072 6.0072 6.0458 6.0458 8.2800 8.2800 8.5777 8.5777 9.3351 9.3351 9.4278 9.4278 10.1336 10.1336 10.2991 10.2991 k = 0.2561 0.7262 0.6211 ( 4246 PWs) bands (ev): 2.5607 2.5607 2.5775 2.5775 3.1521 3.1521 3.2645 3.2645 4.1202 4.1202 4.1971 4.1971 4.6220 4.6220 4.8731 4.8731 5.2735 5.2735 5.3419 5.3419 6.0039 6.0039 6.0389 6.0389 8.2813 8.2813 8.5781 8.5781 9.3190 9.3190 9.4119 9.4119 10.1418 10.1418 10.2982 10.2982 k = 0.2499 0.7085 0.6211 ( 4242 PWs) bands (ev): 2.5590 2.5590 2.5748 2.5748 3.1581 3.1581 3.2662 3.2662 4.1182 4.1182 4.1953 4.1953 4.6269 4.6269 4.8667 4.8667 5.2763 5.2763 5.3427 5.3427 6.0004 6.0004 6.0319 6.0319 8.2826 8.2826 8.5769 8.5769 9.3085 9.3085 9.3998 9.3998 10.1483 10.1483 10.2954 10.2954 k = 0.2436 0.6908 0.6211 ( 4242 PWs) bands (ev): 2.5581 2.5581 2.5727 2.5727 3.1643 3.1643 3.2679 3.2679 4.1167 4.1167 4.1932 4.1932 4.6318 4.6318 4.8592 4.8592 5.2768 5.2768 5.3405 5.3405 5.9968 5.9968 6.0248 6.0248 8.2842 8.2842 8.5749 8.5749 9.3033 9.3033 9.3916 9.3916 10.1522 10.1522 10.2900 10.2900 k = 0.2374 0.6730 0.6211 ( 4242 PWs) bands (ev): 2.5579 2.5579 2.5713 2.5713 3.1704 3.1704 3.2695 3.2695 4.1154 4.1154 4.1910 4.1910 4.6366 4.6366 4.8505 4.8505 5.2750 5.2750 5.3355 5.3355 5.9932 5.9932 6.0176 6.0176 8.2866 8.2866 8.5727 8.5727 9.3033 9.3033 9.3874 9.3874 10.1528 10.1528 10.2815 10.2815 k = 0.2311 0.6553 0.6211 ( 4244 PWs) bands (ev): 2.5584 2.5584 2.5706 2.5706 3.1766 3.1766 3.2709 3.2709 4.1144 4.1144 4.1885 4.1885 4.6412 4.6412 4.8406 4.8406 5.2709 5.2709 5.3275 5.3275 5.9896 5.9896 6.0105 6.0105 8.2900 8.2900 8.5707 8.5707 9.3081 9.3081 9.3872 9.3872 10.1497 10.1497 10.2691 10.2691 k = 0.2249 0.6376 0.6211 ( 4246 PWs) bands (ev): 2.5597 2.5597 2.5707 2.5707 3.1826 3.1826 3.2722 3.2722 4.1136 4.1136 4.1859 4.1859 4.6454 4.6454 4.8295 4.8295 5.2648 5.2648 5.3169 5.3169 5.9859 5.9859 6.0036 6.0036 8.2947 8.2947 8.5696 8.5696 9.3173 9.3173 9.3910 9.3910 10.1421 10.1421 10.2525 10.2525 k = 0.2186 0.6199 0.6211 ( 4254 PWs) bands (ev): 2.5617 2.5617 2.5714 2.5714 3.1886 3.1886 3.2733 3.2733 4.1129 4.1129 4.1831 4.1831 4.6491 4.6491 4.8172 4.8172 5.2568 5.2568 5.3037 5.3037 5.9823 5.9823 5.9968 5.9968 8.3009 8.3009 8.5697 8.5697 9.3306 9.3306 9.3986 9.3986 10.1298 10.1298 10.2313 10.2313 k = 0.2124 0.6022 0.6211 ( 4254 PWs) bands (ev): 2.5643 2.5643 2.5728 2.5728 3.1944 3.1944 3.2742 3.2742 4.1123 4.1123 4.1801 4.1801 4.6521 4.6521 4.8036 4.8036 5.2473 5.2473 5.2882 5.2882 5.9788 5.9788 5.9903 5.9903 8.3089 8.3089 8.5715 8.5715 9.3475 9.3475 9.4098 9.4098 10.1124 10.1124 10.2054 10.2054 k = 0.2061 0.5845 0.6211 ( 4258 PWs) bands (ev): 2.5676 2.5676 2.5748 2.5748 3.2001 3.2001 3.2750 3.2750 4.1117 4.1117 4.1770 4.1770 4.6542 4.6542 4.7887 4.7887 5.2366 5.2366 5.2708 5.2708 5.9753 5.9753 5.9840 5.9840 8.3188 8.3188 8.5753 8.5753 9.3675 9.3675 9.4244 9.4244 10.0897 10.0897 10.1748 10.1748 k = 0.1999 0.5668 0.6211 ( 4250 PWs) bands (ev): 2.5715 2.5715 2.5775 2.5775 3.2055 3.2055 3.2756 3.2756 4.1110 4.1110 4.1736 4.1736 4.6552 4.6552 4.7724 4.7724 5.2250 5.2250 5.2519 5.2519 5.9719 5.9719 5.9781 5.9781 8.3308 8.3308 8.5814 8.5814 9.3903 9.3903 9.4421 9.4421 10.0617 10.0617 10.1396 10.1396 k = 0.1936 0.5491 0.6211 ( 4264 PWs) bands (ev): 2.5760 2.5760 2.5808 2.5808 3.2106 3.2106 3.2760 3.2760 4.1102 4.1102 4.1700 4.1700 4.6550 4.6550 4.7549 4.7549 5.2128 5.2128 5.2319 5.2319 5.9686 5.9686 5.9724 5.9724 8.3449 8.3449 8.5900 8.5900 9.4152 9.4152 9.4623 9.4623 10.0287 10.0287 10.1001 10.1001 k = 0.1874 0.5314 0.6211 ( 4268 PWs) bands (ev): 2.5810 2.5810 2.5846 2.5846 3.2154 3.2154 3.2762 3.2762 4.1090 4.1090 4.1661 4.1661 4.6534 4.6534 4.7361 4.7361 5.2004 5.2004 5.2113 5.2113 5.9653 5.9653 5.9669 5.9669 8.3614 8.3614 8.6013 8.6013 9.4418 9.4418 9.4846 9.4846 9.9909 9.9909 10.0568 10.0568 k = 0.1812 0.5136 0.6211 ( 4264 PWs) bands (ev): 2.5865 2.5865 2.5889 2.5889 3.2198 3.2198 3.2762 3.2762 4.1075 4.1075 4.1618 4.1618 4.6503 4.6503 4.7162 4.7162 5.1880 5.1880 5.1904 5.1904 5.9618 5.9618 5.9620 5.9620 8.3801 8.3801 8.6154 8.6154 9.4692 9.4692 9.5083 9.5083 9.9491 9.9491 10.0106 10.0106 k = 0.1749 0.4959 0.6211 ( 4264 PWs) bands (ev): 2.5924 2.5924 2.5937 2.5937 3.2239 3.2239 3.2759 3.2759 4.1055 4.1055 4.1571 4.1571 4.6455 4.6455 4.6953 4.6953 5.1699 5.1699 5.1759 5.1759 5.9567 5.9567 5.9587 5.9587 8.4012 8.4012 8.6323 8.6323 9.4969 9.4969 9.5325 9.5325 9.9040 9.9040 9.9625 9.9625 k = 0.1687 0.4782 0.6211 ( 4268 PWs) bands (ev): 2.5986 2.5986 2.5989 2.5989 3.2276 3.2276 3.2754 3.2754 4.1028 4.1028 4.1520 4.1520 4.6389 4.6389 4.6735 4.6735 5.1500 5.1500 5.1643 5.1643 5.9519 5.9519 5.9553 5.9553 8.4247 8.4247 8.6522 8.6522 9.5234 9.5234 9.5558 9.5558 9.8573 9.8573 9.9141 9.9141 k = 0.1624 0.4605 0.6211 ( 4270 PWs) bands (ev): 2.6044 2.6044 2.6051 2.6051 3.2309 3.2309 3.2747 3.2747 4.0995 4.0995 4.1462 4.1462 4.6305 4.6305 4.6510 4.6510 5.1312 5.1312 5.1533 5.1533 5.9471 5.9471 5.9519 5.9519 8.4505 8.4505 8.6751 8.6751 9.5466 9.5466 9.5760 9.5760 9.8112 9.8112 9.8681 9.8681 k = 0.1562 0.4428 0.6211 ( 4270 PWs) bands (ev): 2.6102 2.6102 2.6118 2.6118 3.2337 3.2337 3.2737 3.2737 4.0955 4.0955 4.1399 4.1399 4.6204 4.6204 4.6283 4.6283 5.1139 5.1139 5.1430 5.1430 5.9425 5.9425 5.9484 5.9484 8.4787 8.4787 8.7008 8.7008 9.5620 9.5620 9.5888 9.5888 9.7708 9.7708 9.8289 9.8289 k = 0.1499 0.4251 0.6211 ( 4268 PWs) bands (ev): 2.6162 2.6162 2.6187 2.6187 3.2361 3.2361 3.2724 3.2724 4.0905 4.0905 4.1328 4.1328 4.6055 4.6055 4.6086 4.6086 5.0981 5.0981 5.1335 5.1335 5.9378 5.9378 5.9447 5.9447 8.5089 8.5089 8.7293 8.7293 9.5615 9.5615 9.5878 9.5878 9.7446 9.7446 9.8036 9.8036 k = 0.1437 0.4074 0.6211 ( 4260 PWs) bands (ev): 2.6224 2.6224 2.6257 2.6257 3.2380 3.2380 3.2709 3.2709 4.0845 4.0845 4.1251 4.1251 4.5829 4.5829 4.5953 4.5953 5.0842 5.0842 5.1248 5.1248 5.9331 5.9331 5.9409 5.9409 8.5410 8.5410 8.7604 8.7604 9.5385 9.5385 9.5686 9.5686 9.7395 9.7395 9.7969 9.7969 k = 0.1374 0.3897 0.6211 ( 4264 PWs) bands (ev): 2.6287 2.6287 2.6327 2.6327 3.2395 3.2395 3.2691 3.2691 4.0775 4.0775 4.1165 4.1165 4.5608 4.5608 4.5808 4.5808 5.0720 5.0720 5.1169 5.1169 5.9283 5.9283 5.9369 5.9369 8.5748 8.5748 8.7940 8.7940 9.4981 9.4981 9.5345 9.5345 9.7512 9.7512 9.8061 9.8061 k = 0.1312 0.3719 0.6211 ( 4264 PWs) bands (ev): 2.6349 2.6349 2.6397 2.6397 3.2405 3.2405 3.2670 3.2670 4.0694 4.0694 4.1072 4.1072 4.5395 4.5395 4.5653 4.5653 5.0617 5.0617 5.1097 5.1097 5.9234 5.9234 5.9326 5.9326 8.6098 8.6098 8.8297 8.8297 9.4494 9.4494 9.4928 9.4928 9.7710 9.7710 9.8245 9.8245 k = 0.1249 0.3542 0.6211 ( 4268 PWs) bands (ev): 2.6412 2.6412 2.6466 2.6466 3.2410 3.2410 3.2647 3.2647 4.0602 4.0602 4.0971 4.0971 4.5193 4.5193 4.5491 4.5491 5.0531 5.0531 5.1034 5.1034 5.9184 5.9184 5.9282 5.9282 8.6454 8.6454 8.8670 8.8670 9.3980 9.3980 9.4490 9.4490 9.7940 9.7940 9.8470 9.8470 k = 0.1187 0.3365 0.6211 ( 4264 PWs) bands (ev): 2.6474 2.6474 2.6533 2.6533 3.2412 3.2412 3.2621 3.2621 4.0499 4.0499 4.0862 4.0862 4.5003 4.5003 4.5326 4.5326 5.0462 5.0462 5.0977 5.0977 5.9133 5.9133 5.9235 5.9235 8.6808 8.6808 8.9052 8.9052 9.3473 9.3473 9.4066 9.4066 9.8177 9.8177 9.8712 9.8712 k = 0.1124 0.3188 0.6211 ( 4264 PWs) bands (ev): 2.6534 2.6534 2.6597 2.6597 3.2409 3.2409 3.2593 3.2593 4.0387 4.0387 4.0746 4.0746 4.4827 4.4827 4.5161 4.5161 5.0407 5.0407 5.0926 5.0926 5.9080 5.9080 5.9186 5.9186 8.7152 8.7152 8.9429 8.9429 9.2999 9.2999 9.3681 9.3681 9.8410 9.8410 9.8954 9.8954 k = 0.1062 0.3011 0.6211 ( 4268 PWs) bands (ev): 2.6592 2.6592 2.6659 2.6659 3.2403 3.2403 3.2563 3.2563 4.0267 4.0267 4.0623 4.0623 4.4665 4.4665 4.4998 4.4998 5.0367 5.0367 5.0882 5.0882 5.9026 5.9026 5.9134 5.9134 8.7471 8.7471 8.9776 8.9776 9.2590 9.2590 9.3354 9.3354 9.8631 9.8631 9.9188 9.9188 k = 0.0999 0.2834 0.6211 ( 4268 PWs) bands (ev): 2.6648 2.6648 2.6718 2.6718 3.2393 3.2393 3.2532 3.2532 4.0140 4.0140 4.0495 4.0495 4.4517 4.4517 4.4839 4.4839 5.0338 5.0338 5.0842 5.0842 5.8971 5.8971 5.9081 5.9081 8.7749 8.7749 9.0040 9.0040 9.2302 9.2302 9.3107 9.3107 9.8836 9.8836 9.9407 9.9407 k = 0.0937 0.2657 0.6211 ( 4268 PWs) bands (ev): 2.6701 2.6701 2.6774 2.6774 3.2381 3.2381 3.2498 3.2498 4.0009 4.0009 4.0363 4.0363 4.4384 4.4384 4.4687 4.4687 5.0320 5.0320 5.0808 5.0808 5.8915 5.8915 5.9026 5.9026 8.7968 8.7968 9.0139 9.0139 9.2218 9.2218 9.2959 9.2959 9.9021 9.9021 9.9608 9.9608 k = 0.0875 0.2480 0.6211 ( 4260 PWs) bands (ev): 2.6751 2.6751 2.6825 2.6825 3.2365 3.2365 3.2464 3.2464 3.9875 3.9875 4.0228 4.0228 4.4264 4.4264 4.4543 4.4543 5.0311 5.0311 5.0778 5.0778 5.8859 5.8859 5.8970 5.8970 8.8114 8.8114 9.0039 9.0039 9.2375 9.2375 9.2925 9.2925 9.9184 9.9184 9.9786 9.9786 k = 0.0812 0.2303 0.6211 ( 4264 PWs) bands (ev): 2.6798 2.6798 2.6873 2.6873 3.2348 3.2348 3.2429 3.2429 3.9742 3.9742 4.0092 4.0092 4.4157 4.4157 4.4407 4.4407 5.0310 5.0310 5.0752 5.0752 5.8803 5.8803 5.8913 5.8913 8.8183 8.8183 8.9806 8.9806 9.2704 9.2704 9.3007 9.3007 9.9321 9.9321 9.9939 9.9939 k = 0.0750 0.2125 0.6211 ( 4268 PWs) bands (ev): 2.6841 2.6841 2.6916 2.6916 3.2328 3.2328 3.2394 3.2394 3.9612 3.9612 3.9955 3.9955 4.4062 4.4062 4.4282 4.4282 5.0316 5.0316 5.0729 5.0729 5.8747 5.8747 5.8856 5.8856 8.8180 8.8180 8.9519 8.9519 9.3124 9.3124 9.3198 9.3198 9.9430 9.9430 10.0063 10.0063 k = 0.0687 0.1948 0.6211 ( 4266 PWs) bands (ev): 2.6881 2.6881 2.6954 2.6954 3.2307 3.2307 3.2359 3.2359 3.9486 3.9486 3.9821 3.9821 4.3977 4.3977 4.4166 4.4166 5.0327 5.0327 5.0709 5.0709 5.8693 5.8693 5.8799 5.8799 8.8124 8.8124 8.9221 8.9221 9.3478 9.3478 9.3591 9.3591 9.9510 9.9510 10.0155 10.0155 k = 0.0625 0.1771 0.6211 ( 4254 PWs) bands (ev): 2.6918 2.6918 2.6988 2.6988 3.2286 3.2286 3.2325 3.2325 3.9368 3.9368 3.9690 3.9690 4.3902 4.3902 4.4062 4.4062 5.0343 5.0343 5.0691 5.0691 5.8642 5.8642 5.8743 5.8743 8.8033 8.8033 8.8933 8.8933 9.3824 9.3824 9.4079 9.4079 9.9559 9.9559 10.0215 10.0215 k = 0.0562 0.1594 0.6211 ( 4268 PWs) bands (ev): 2.6951 2.6951 2.7018 2.7018 3.2264 3.2264 3.2293 3.2293 3.9258 3.9258 3.9564 3.9564 4.3836 4.3836 4.3968 4.3968 5.0361 5.0361 5.0676 5.0676 5.8593 5.8593 5.8689 5.8689 8.7923 8.7923 8.8665 8.8665 9.4216 9.4216 9.4577 9.4577 9.9575 9.9575 10.0239 10.0239 k = 0.0500 0.1417 0.6211 ( 4284 PWs) bands (ev): 2.6980 2.6980 2.7043 2.7043 3.2242 3.2242 3.2262 3.2262 3.9159 3.9159 3.9445 3.9445 4.3778 4.3778 4.3885 4.3885 5.0382 5.0382 5.0661 5.0661 5.8547 5.8547 5.8637 5.8637 8.7809 8.7809 8.8420 8.8420 9.4637 9.4637 9.5075 9.5075 9.9557 9.9557 10.0227 10.0227 k = 0.0437 0.1240 0.6211 ( 4284 PWs) bands (ev): 2.7006 2.7006 2.7064 2.7064 3.2221 3.2221 3.2234 3.2234 3.9072 3.9072 3.9333 3.9333 4.3728 4.3728 4.3812 4.3812 5.0405 5.0405 5.0649 5.0649 5.8506 5.8506 5.8588 5.8588 8.7700 8.7700 8.8201 8.8201 9.5072 9.5072 9.5566 9.5566 9.9505 9.9505 10.0177 10.0177 k = 0.0375 0.1063 0.6211 ( 4284 PWs) bands (ev): 2.7029 2.7029 2.7081 2.7081 3.2202 3.2202 3.2209 3.2209 3.8999 3.8999 3.9230 3.9230 4.3685 4.3685 4.3750 4.3750 5.0428 5.0428 5.0636 5.0636 5.8470 5.8470 5.8543 5.8543 8.7601 8.7601 8.8008 8.8008 9.5512 9.5512 9.6045 9.6045 9.9418 9.9418 10.0089 10.0089 k = 0.0312 0.0886 0.6211 ( 4284 PWs) bands (ev): 2.7049 2.7049 2.7094 2.7094 3.2184 3.2184 3.2188 3.2188 3.8939 3.8939 3.9138 3.9138 4.3649 4.3649 4.3697 4.3697 5.0452 5.0452 5.0624 5.0624 5.8440 5.8440 5.8503 5.8503 8.7517 8.7517 8.7842 8.7842 9.5946 9.5946 9.6504 9.6504 9.9299 9.9299 9.9964 9.9964 k = 0.0250 0.0708 0.6211 ( 4292 PWs) bands (ev): 2.7066 2.7066 2.7103 2.7103 3.2168 3.2168 3.2169 3.2169 3.8893 3.8893 3.9057 3.9057 4.3620 4.3620 4.3655 4.3655 5.0474 5.0474 5.0612 5.0612 5.8416 5.8416 5.8467 5.8467 8.7451 8.7451 8.7703 8.7703 9.6368 9.6368 9.6937 9.6937 9.9153 9.9153 9.9801 9.9801 k = 0.0187 0.0531 0.6211 ( 4296 PWs) bands (ev): 2.7081 2.7081 2.7109 2.7109 3.2155 3.2155 3.2156 3.2156 3.8862 3.8862 3.8988 3.8988 4.3598 4.3598 4.3622 4.3622 5.0496 5.0496 5.0599 5.0599 5.8398 5.8398 5.8437 5.8437 8.7405 8.7405 8.7589 8.7589 9.6768 9.6768 9.7326 9.7326 9.8991 9.8991 9.9605 9.9605 k = 0.0125 0.0354 0.6211 ( 4300 PWs) bands (ev): 2.7092 2.7092 2.7111 2.7111 3.2145 3.2145 3.2146 3.2146 3.8847 3.8847 3.8932 3.8932 4.3583 4.3583 4.3598 4.3598 5.0517 5.0517 5.0585 5.0585 5.8387 5.8387 5.8414 5.8414 8.7379 8.7379 8.7499 8.7499 9.7139 9.7139 9.7639 9.7639 9.8845 9.8845 9.9381 9.9381 k = 0.0062 0.0177 0.6211 ( 4300 PWs) bands (ev): 2.7101 2.7101 2.7111 2.7111 3.2139 3.2139 3.2140 3.2140 3.8846 3.8846 3.8889 3.8889 4.3575 4.3575 4.3582 4.3582 5.0536 5.0536 5.0570 5.0570 5.8383 5.8383 5.8397 5.8397 8.7375 8.7375 8.7434 8.7434 9.7464 9.7464 9.7791 9.7791 9.8797 9.8797 9.9142 9.9142 k = 0.0000 0.0000 0.6211 ( 4300 PWs) bands (ev): 2.7107 2.7107 2.7107 2.7107 3.2138 3.2138 3.2138 3.2138 3.8860 3.8860 3.8860 3.8860 4.3574 4.3574 4.3574 4.3574 5.0554 5.0554 5.0554 5.0554 5.8386 5.8386 5.8386 5.8386 8.7393 8.7393 8.7393 8.7393 9.7708 9.7708 9.7708 9.7708 9.8920 9.8920 9.8920 9.8920 k = 0.0000 0.0000 0.6211 ( 4300 PWs) bands (ev): 2.7107 2.7107 2.7107 2.7107 3.2138 3.2138 3.2138 3.2138 3.8860 3.8860 3.8860 3.8860 4.3574 4.3574 4.3574 4.3574 5.0554 5.0554 5.0554 5.0554 5.8386 5.8386 5.8386 5.8386 8.7393 8.7393 8.7393 8.7393 9.7708 9.7708 9.7708 9.7708 9.8920 9.8920 9.8920 9.8920 k = 0.0000 0.0000 0.6023 ( 4304 PWs) bands (ev): 2.7005 2.7005 2.7204 2.7204 3.2117 3.2117 3.2149 3.2149 3.8469 3.8469 3.9210 3.9210 4.3487 4.3487 4.3663 4.3663 5.0243 5.0243 5.0861 5.0861 5.7879 5.7879 5.8962 5.8962 8.6498 8.6498 8.8272 8.8272 9.7440 9.7440 9.7816 9.7816 9.8792 9.8792 9.9233 9.9233 k = 0.0000 0.0000 0.5835 ( 4306 PWs) bands (ev): 2.6902 2.6902 2.7290 2.7290 3.2086 3.2086 3.2151 3.2151 3.8040 3.8040 3.9518 3.9518 4.3400 4.3400 4.3752 4.3752 4.9932 4.9932 5.1157 5.1157 5.7438 5.7438 5.9605 5.9605 8.5592 8.5592 8.9127 8.9127 9.7130 9.7130 9.7666 9.7666 9.8934 9.8934 9.9626 9.9626 k = 0.0000 0.0000 0.5647 ( 4300 PWs) bands (ev): 2.6800 2.6800 2.7360 2.7360 3.2044 3.2044 3.2147 3.2147 3.7578 3.7578 3.9785 3.9785 4.3314 4.3314 4.3841 4.3841 4.9628 4.9628 5.1437 5.1437 5.7059 5.7059 6.0312 6.0312 8.4686 8.4686 8.9955 8.9955 9.6819 9.6819 9.7391 9.7391 9.9203 9.9203 10.0068 10.0068 k = 0.0000 0.0000 0.5458 ( 4304 PWs) bands (ev): 2.6703 2.6703 2.7408 2.7408 3.1989 3.1989 3.2138 3.2138 3.7092 3.7092 4.0015 4.0015 4.3228 4.3228 4.3930 4.3930 4.9335 4.9335 5.1696 5.1696 5.6738 5.6738 6.1077 6.1077 8.3787 8.3787 9.0750 9.0750 9.6517 9.6517 9.7101 9.7101 9.9494 9.9494 10.0549 10.0549 k = 0.0000 0.0000 0.5270 ( 4298 PWs) bands (ev): 2.6612 2.6612 2.7428 2.7428 3.1923 3.1923 3.2126 3.2126 3.6593 3.6593 4.0213 4.0213 4.3141 4.3141 4.4018 4.4018 4.9056 4.9056 5.1931 5.1931 5.6468 5.6468 6.1888 6.1888 8.2909 8.2909 9.1508 9.1508 9.6220 9.6220 9.6839 9.6839 9.9774 9.9774 10.1065 10.1065 k = 0.0000 0.0000 0.5082 ( 4294 PWs) bands (ev): 2.6530 2.6530 2.7410 2.7410 3.1843 3.1843 3.2113 3.2113 3.6091 3.6091 4.0381 4.0381 4.3054 4.3054 4.4104 4.4104 4.8794 4.8794 5.2138 5.2138 5.6243 5.6243 6.2732 6.2732 8.2065 8.2065 9.2228 9.2228 9.5920 9.5920 9.6634 9.6634 10.0032 10.0032 10.1607 10.1607 k = 0.0000 0.0000 0.4894 ( 4290 PWs) bands (ev): 2.6457 2.6457 2.7350 2.7350 3.1751 3.1751 3.2101 3.2101 3.5598 3.5598 4.0524 4.0524 4.2966 4.2966 4.4189 4.4189 4.8550 4.8550 5.2315 5.2315 5.6058 5.6058 6.3589 6.3589 8.1273 8.1273 9.2905 9.2905 9.5615 9.5615 9.6496 9.6496 10.0269 10.0269 10.2169 10.2169 k = 0.0000 0.0000 0.4706 ( 4290 PWs) bands (ev): 2.6393 2.6393 2.7239 2.7239 3.1647 3.1647 3.2091 3.2091 3.5126 3.5126 4.0645 4.0645 4.2881 4.2881 4.4270 4.4270 4.8327 4.8327 5.2463 5.2463 5.5905 5.5905 6.4436 6.4436 8.0556 8.0556 9.3536 9.3536 9.5312 9.5312 9.6431 9.6431 10.0485 10.0485 10.2746 10.2746 k = 0.0000 0.0000 0.4517 ( 4290 PWs) bands (ev): 2.6336 2.6336 2.7078 2.7078 3.1531 3.1531 3.2086 3.2086 3.4685 3.4685 4.0745 4.0745 4.2802 4.2802 4.4349 4.4349 4.8125 4.8125 5.2579 5.2579 5.5779 5.5779 6.5242 6.5242 7.9941 7.9941 9.4115 9.4115 9.5022 9.5022 9.6436 9.6436 10.0684 10.0684 10.3330 10.3330 k = 0.0000 0.0000 0.4329 ( 4278 PWs) bands (ev): 2.6277 2.6277 2.6871 2.6871 3.1404 3.1404 3.2083 3.2083 3.4283 3.4283 4.0822 4.0822 4.2734 4.2734 4.4425 4.4425 4.7945 4.7945 5.2666 5.2666 5.5675 5.5675 6.5969 6.5969 7.9465 7.9465 9.4550 9.4550 9.4841 9.4841 9.6510 9.6510 10.0868 10.0868 10.3915 10.3915 k = 0.0000 0.0000 0.4141 ( 4276 PWs) bands (ev): 2.6184 2.6184 2.6655 2.6655 3.1269 3.1269 3.2083 3.2083 3.3922 3.3922 4.0874 4.0874 4.2684 4.2684 4.4499 4.4499 4.7786 4.7786 5.2724 5.2724 5.5585 5.5585 6.6575 6.6575 7.9166 7.9166 9.4407 9.4407 9.5205 9.5205 9.6653 9.6653 10.1041 10.1041 10.4498 10.4498 k = 0.0000 0.0000 0.3953 ( 4280 PWs) bands (ev): 2.5981 2.5981 2.6510 2.6510 3.1127 3.1127 3.2081 3.2081 3.3607 3.3607 4.0896 4.0896 4.2659 4.2659 4.4569 4.4569 4.7650 4.7650 5.2754 5.2754 5.5506 5.5506 6.7020 6.7020 7.9082 7.9082 9.4165 9.4165 9.5640 9.5640 9.6862 9.6862 10.1205 10.1205 10.5071 10.5071 k = 0.0000 0.0000 0.3764 ( 4268 PWs) bands (ev): 2.5646 2.5646 2.6466 2.6466 3.0980 3.0980 3.2072 3.2072 3.3336 3.3336 4.0885 4.0885 4.2664 4.2664 4.4637 4.4637 4.7536 4.7536 5.2758 5.2758 5.5432 5.5432 6.7274 6.7274 7.9237 7.9237 9.3934 9.3934 9.6038 9.6038 9.7137 9.7137 10.1362 10.1362 10.5629 10.5629 k = 0.0000 0.0000 0.3576 ( 4264 PWs) bands (ev): 2.5237 2.5237 2.6476 2.6476 3.0830 3.0830 3.2052 3.2052 3.3108 3.3108 4.0841 4.0841 4.2703 4.2703 4.4702 4.4702 4.7445 4.7445 5.2739 5.2739 5.5359 5.5359 6.7336 6.7336 7.9632 7.9632 9.3722 9.3722 9.6395 9.6395 9.7472 9.7472 10.1514 10.1514 10.6168 10.6168 k = 0.0000 0.0000 0.3388 ( 4260 PWs) bands (ev): 2.4787 2.4787 2.6515 2.6515 3.0678 3.0678 3.2014 3.2014 3.2921 3.2921 4.0767 4.0767 4.2771 4.2771 4.4765 4.4765 4.7377 4.7377 5.2698 5.2698 5.5286 5.5286 6.7227 6.7227 8.0241 8.0241 9.3531 9.3531 9.6714 9.6714 9.7865 9.7865 10.1662 10.1662 10.6681 10.6681 k = 0.0000 0.0000 0.3200 ( 4268 PWs) bands (ev): 2.4315 2.4315 2.6577 2.6577 3.0527 3.0527 3.1953 3.1953 3.2772 3.2772 4.0670 4.0670 4.2864 4.2864 4.4825 4.4825 4.7333 4.7333 5.2637 5.2637 5.5208 5.5208 6.6983 6.6983 8.1021 8.1021 9.3361 9.3361 9.6995 9.6995 9.8314 9.8314 10.1805 10.1805 10.7164 10.7164 k = 0.0000 0.0000 0.3012 ( 4268 PWs) bands (ev): 2.3834 2.3834 2.6658 2.6658 3.0377 3.0377 3.1870 3.1870 3.2655 3.2655 4.0555 4.0555 4.2975 4.2975 4.4883 4.4883 4.7313 4.7313 5.2559 5.2559 5.5124 5.5124 6.6646 6.6646 8.1927 8.1927 9.3214 9.3214 9.7241 9.7241 9.8816 9.8816 10.1942 10.1942 10.7612 10.7612 k = 0.0000 0.0000 0.2823 ( 4264 PWs) bands (ev): 2.3352 2.3352 2.6757 2.6757 3.0231 3.0231 3.1770 3.1770 3.2560 3.2560 4.0430 4.0430 4.3095 4.3095 4.4939 4.4939 4.7318 4.7318 5.2467 5.2467 5.5032 5.5032 6.6250 6.6250 8.2918 8.2918 9.3088 9.3088 9.7453 9.7453 9.9370 9.9370 10.2074 10.2074 10.8021 10.8021 k = 0.0000 0.0000 0.2635 ( 4262 PWs) bands (ev): 2.2877 2.2877 2.6871 2.6871 3.0088 3.0088 3.1659 3.1659 3.2475 3.2475 4.0299 4.0299 4.3219 4.3219 4.4994 4.4994 4.7347 4.7347 5.2364 5.2364 5.4933 5.4933 6.5824 6.5824 8.3958 8.3958 9.2982 9.2982 9.7633 9.7633 9.9971 9.9971 10.2200 10.2200 10.8387 10.8387 k = 0.0000 0.0000 0.2447 ( 4274 PWs) bands (ev): 2.2417 2.2417 2.7001 2.7001 2.9951 2.9951 3.1544 3.1544 3.2390 3.2390 4.0166 4.0166 4.3341 4.3341 4.5047 4.5047 4.7400 4.7400 5.2252 5.2252 5.4824 5.4824 6.5388 6.5388 8.5020 8.5020 9.2897 9.2897 9.7785 9.7785 10.0614 10.0614 10.2318 10.2318 10.8706 10.8706 k = 0.0000 0.0000 0.2259 ( 4270 PWs) bands (ev): 2.1975 2.1975 2.7144 2.7144 2.9821 2.9821 3.1430 3.1430 3.2301 3.2301 4.0034 4.0034 4.3456 4.3456 4.5098 4.5098 4.7475 4.7475 5.2136 5.2136 5.4707 5.4707 6.4958 6.4958 8.6078 8.6078 9.2830 9.2830 9.7913 9.7913 10.1291 10.1291 10.2432 10.2432 10.8979 10.8979 k = 0.0000 0.0000 0.2070 ( 4270 PWs) bands (ev): 2.1557 2.1557 2.7299 2.7299 2.9700 2.9700 3.1320 3.1320 3.2201 3.2201 3.9907 3.9907 4.3563 4.3563 4.5146 4.5146 4.7571 4.7571 5.2021 5.2021 5.4580 5.4580 6.4544 6.4544 8.7114 8.7114 9.2781 9.2781 9.8018 9.8018 10.1978 10.1978 10.2556 10.2556 10.9206 10.9206 k = 0.0000 0.0000 0.1882 ( 4269 PWs) bands (ev): 2.1166 2.1166 2.7465 2.7465 2.9588 2.9588 3.1216 3.1216 3.2091 3.2091 3.9784 3.9784 4.3660 4.3660 4.5191 4.5191 4.7682 4.7682 5.1911 5.1911 5.4443 5.4443 6.4154 6.4154 8.8109 8.8109 9.2747 9.2747 9.8105 9.8105 10.2481 10.2481 10.2880 10.2880 10.9389 10.9389 k = 0.0000 0.0000 0.1694 ( 4257 PWs) bands (ev): 2.0805 2.0805 2.7638 2.7638 2.9487 2.9487 3.1118 3.1118 3.1967 3.1967 3.9670 3.9670 4.3746 4.3746 4.5233 4.5233 4.7805 4.7805 5.1813 5.1813 5.4299 5.4299 6.3794 6.3794 8.9047 8.9047 9.2729 9.2729 9.8175 9.8175 10.2621 10.2621 10.3571 10.3571 10.9534 10.9534 k = 0.0000 0.0000 0.1506 ( 4265 PWs) bands (ev): 2.0476 2.0476 2.7815 2.7815 2.9401 2.9401 3.1029 3.1029 3.1831 3.1831 3.9563 3.9563 4.3822 4.3822 4.5270 4.5270 4.7931 4.7931 5.1731 5.1731 5.4146 5.4146 6.3467 6.3467 8.9914 8.9914 9.2724 9.2724 9.8231 9.8231 10.2697 10.2697 10.4324 10.4324 10.9646 10.9646 k = 0.0000 0.0000 0.1318 ( 4263 PWs) bands (ev): 2.0182 2.0182 2.7991 2.7991 2.9332 2.9332 3.0949 3.0949 3.1684 3.1684 3.9467 3.9467 4.3888 4.3888 4.5303 4.5303 4.8056 4.8056 5.1671 5.1671 5.3988 5.3988 6.3175 6.3175 9.0695 9.0695 9.2734 9.2734 9.8274 9.8274 10.2755 10.2755 10.5080 10.5080 10.9732 10.9732 k = 0.0000 0.0000 0.1129 ( 4251 PWs) bands (ev): 1.9924 1.9924 2.8160 2.8160 2.9284 2.9284 3.0878 3.0878 3.1527 3.1527 3.9381 3.9381 4.3946 4.3946 4.5330 4.5330 4.8171 4.8171 5.1637 5.1637 5.3825 5.3825 6.2921 6.2921 9.1374 9.1374 9.2762 9.2762 9.8307 9.8307 10.2800 10.2800 10.5818 10.5818 10.9798 10.9798 k = 0.0000 0.0000 0.0941 ( 4259 PWs) bands (ev): 1.9703 1.9703 2.8311 2.8311 2.9265 2.9265 3.0818 3.0818 3.1365 3.1365 3.9306 3.9306 4.3995 4.3995 4.5351 4.5351 4.8271 4.8271 5.1631 5.1631 5.3663 5.3663 6.2705 6.2705 9.1927 9.1927 9.2822 9.2822 9.8331 9.8331 10.2836 10.2836 10.6517 10.6517 10.9850 10.9850 k = 0.0000 0.0000 0.0753 ( 4261 PWs) bands (ev): 1.9521 1.9521 2.8433 2.8433 2.9281 2.9281 3.0768 3.0768 3.1201 3.1201 3.9244 3.9244 4.4036 4.4036 4.5368 4.5368 4.8353 4.8353 5.1651 5.1651 5.3505 5.3505 6.2528 6.2528 9.2307 9.2307 9.2954 9.2954 9.8348 9.8348 10.2863 10.2863 10.7155 10.7155 10.9889 10.9889 k = 0.0000 0.0000 0.0565 ( 4261 PWs) bands (ev): 1.9379 1.9379 2.8517 2.8517 2.9333 2.9333 3.0731 3.0731 3.1044 3.1044 3.9195 3.9195 4.4069 4.4069 4.5380 4.5380 4.8414 4.8414 5.1691 5.1691 5.3360 5.3360 6.2390 6.2390 9.2493 9.2493 9.3171 9.3171 9.8359 9.8359 10.2884 10.2884 10.7702 10.7702 10.9919 10.9919 k = 0.0000 0.0000 0.0376 ( 4257 PWs) bands (ev): 1.9277 1.9277 2.8566 2.8566 2.9405 2.9405 3.0707 3.0707 3.0905 3.0905 3.9160 3.9160 4.4093 4.4093 4.5389 4.5389 4.8457 4.8457 5.1739 5.1739 5.3238 5.3238 6.2291 6.2291 9.2568 9.2568 9.3387 9.3387 9.8366 9.8366 10.2898 10.2898 10.8127 10.8127 10.9941 10.9941 k = 0.0000 0.0000 0.0188 ( 4259 PWs) bands (ev): 1.9216 1.9216 2.8589 2.8589 2.9469 2.9469 3.0700 3.0700 3.0800 3.0800 3.9139 3.9139 4.4107 4.4107 4.5393 4.5393 4.8481 4.8481 5.1779 5.1779 5.3155 5.3155 6.2232 6.2232 9.2598 9.2598 9.3532 9.3532 9.8370 9.8370 10.2906 10.2906 10.8398 10.8398 10.9953 10.9953 k = 0.0000 0.0000 0.0000 ( 4263 PWs) bands (ev): 1.9195 1.9195 2.8595 2.8595 2.9495 2.9495 3.0706 3.0706 3.0752 3.0752 3.9131 3.9131 4.4112 4.4112 4.5395 4.5395 4.8489 4.8489 5.1795 5.1795 5.3125 5.3125 6.2213 6.2213 9.2607 9.2607 9.3582 9.3582 9.8371 9.8371 10.2909 10.2909 10.8492 10.8492 10.9958 10.9958 k = 0.0000 0.0000 0.0000 ( 4263 PWs) bands (ev): 1.9195 1.9195 2.8595 2.8595 2.9495 2.9495 3.0706 3.0706 3.0752 3.0752 3.9131 3.9131 4.4112 4.4112 4.5395 4.5395 4.8489 4.8489 5.1795 5.1795 5.3125 5.3125 6.2213 6.2213 9.2607 9.2607 9.3582 9.3582 9.8371 9.8371 10.2909 10.2909 10.8492 10.8492 10.9958 10.9958 k =-0.0172 0.0061-0.0000 ( 4267 PWs) bands (ev): 1.9207 1.9207 2.8598 2.8598 2.9500 2.9500 3.0700 3.0700 3.0754 3.0754 3.9135 3.9135 4.4106 4.4106 4.5395 4.5395 4.8488 4.8488 5.1794 5.1794 5.3125 5.3125 6.2208 6.2208 9.2608 9.2608 9.3547 9.3547 9.8399 9.8399 10.2907 10.2907 10.8477 10.8477 11.0008 11.0008 k =-0.0345 0.0122-0.0000 ( 4267 PWs) bands (ev): 1.9243 1.9243 2.8605 2.8605 2.9513 2.9513 3.0685 3.0685 3.0758 3.0758 3.9148 3.9148 4.4087 4.4087 4.5396 4.5396 4.8485 4.8485 5.1792 5.1792 5.3126 5.3126 6.2193 6.2193 9.2612 9.2612 9.3447 9.3447 9.8478 9.8478 10.2904 10.2904 10.8443 10.8443 11.0148 11.0148 k =-0.0517 0.0182-0.0000 ( 4269 PWs) bands (ev): 1.9302 1.9302 2.8617 2.8617 2.9534 2.9534 3.0664 3.0664 3.0760 3.0760 3.9168 3.9168 4.4056 4.4056 4.5397 4.5397 4.8481 4.8481 5.1789 5.1789 5.3127 5.3127 6.2167 6.2167 9.2613 9.2613 9.3292 9.3292 9.8596 9.8596 10.2903 10.2903 10.8406 10.8406 11.0349 11.0349 k =-0.0690 0.0243-0.0000 ( 4257 PWs) bands (ev): 1.9384 1.9384 2.8633 2.8633 2.9563 2.9563 3.0638 3.0638 3.0761 3.0761 3.9197 3.9197 4.4013 4.4013 4.5399 4.5399 4.8475 4.8475 5.1784 5.1784 5.3129 5.3129 6.2130 6.2130 9.2602 9.2602 9.3105 9.3105 9.8735 9.8735 10.2912 10.2912 10.8381 10.8381 11.0578 11.0578 k =-0.0862 0.0304-0.0000 ( 4261 PWs) bands (ev): 1.9488 1.9488 2.8653 2.8653 2.9601 2.9601 3.0609 3.0609 3.0760 3.0760 3.9234 3.9234 4.3960 4.3960 4.5401 4.5401 4.8468 4.8468 5.1778 5.1778 5.3131 5.3131 6.2081 6.2081 9.2543 9.2543 9.2934 9.2934 9.8875 9.8875 10.2937 10.2937 10.8378 10.8378 11.0794 11.0794 k =-0.1034 0.0365-0.0000 ( 4258 PWs) bands (ev): 1.9611 1.9611 2.8676 2.8676 2.9646 2.9646 3.0577 3.0577 3.0758 3.0758 3.9279 3.9279 4.3895 4.3895 4.5404 4.5404 4.8460 4.8460 5.1770 5.1770 5.3135 5.3135 6.2018 6.2018 9.2373 9.2373 9.2847 9.2847 9.8998 9.8998 10.2987 10.2987 10.8401 10.8401 11.0953 11.0953 k =-0.1207 0.0426-0.0000 ( 4258 PWs) bands (ev): 1.9754 1.9754 2.8703 2.8703 2.9698 2.9698 3.0542 3.0542 3.0755 3.0755 3.9332 3.9332 4.3822 4.3822 4.5406 4.5406 4.8453 4.8453 5.1761 5.1761 5.3140 5.3140 6.1940 6.1940 9.2112 9.2112 9.2833 9.2833 9.9089 9.9089 10.3069 10.3069 10.8451 10.8451 11.1014 11.1014 k =-0.1379 0.0486-0.0000 ( 4254 PWs) bands (ev): 1.9913 1.9913 2.8732 2.8732 2.9756 2.9756 3.0506 3.0506 3.0754 3.0754 3.9393 3.9393 4.3740 4.3740 4.5409 4.5409 4.8446 4.8446 5.1751 5.1751 5.3147 5.3147 6.1845 6.1845 9.1813 9.1813 9.2844 9.2844 9.9139 9.9139 10.3183 10.3183 10.8524 10.8524 11.0964 11.0964 k =-0.1552 0.0547-0.0000 ( 4258 PWs) bands (ev): 2.0087 2.0087 2.8763 2.8763 2.9818 2.9818 3.0468 3.0468 3.0757 3.0757 3.9461 3.9461 4.3651 4.3651 4.5411 4.5411 4.8440 4.8440 5.1741 5.1741 5.3155 5.3155 6.1731 6.1731 9.1496 9.1496 9.2864 9.2864 9.9146 9.9146 10.3325 10.3325 10.8616 10.8616 11.0822 11.0822 k =-0.1724 0.0608-0.0000 ( 4258 PWs) bands (ev): 2.0273 2.0273 2.8795 2.8795 2.9882 2.9882 3.0429 3.0429 3.0767 3.0767 3.9537 3.9537 4.3555 4.3555 4.5414 4.5414 4.8436 4.8436 5.1729 5.1729 5.3166 5.3166 6.1597 6.1597 9.1171 9.1171 9.2886 9.2886 9.9113 9.9113 10.3484 10.3484 10.8718 10.8718 11.0627 11.0627 k =-0.1897 0.0669-0.0000 ( 4254 PWs) bands (ev): 2.0469 2.0469 2.8828 2.8828 2.9945 2.9945 3.0390 3.0390 3.0787 3.0787 3.9619 3.9619 4.3456 4.3456 4.5416 4.5416 4.8435 4.8435 5.1717 5.1717 5.3179 5.3179 6.1442 6.1442 9.0843 9.0843 9.2906 9.2906 9.9047 9.9047 10.3644 10.3644 10.8809 10.8809 11.0424 11.0424 k =-0.2069 0.0730-0.0000 ( 4254 PWs) bands (ev): 2.0672 2.0672 2.8860 2.8860 3.0004 3.0004 3.0351 3.0351 3.0822 3.0822 3.9707 3.9707 4.3353 4.3353 4.5417 4.5417 4.8437 4.8437 5.1704 5.1704 5.3196 5.3196 6.1264 6.1264 9.0517 9.0517 9.2923 9.2923 9.8957 9.8957 10.3790 10.3790 10.8860 10.8860 11.0263 11.0263 k =-0.2241 0.0790-0.0000 ( 4266 PWs) bands (ev): 2.0878 2.0878 2.8892 2.8892 3.0055 3.0055 3.0313 3.0313 3.0876 3.0876 3.9800 3.9800 4.3248 4.3248 4.5419 4.5419 4.8442 4.8442 5.1690 5.1690 5.3216 5.3216 6.1062 6.1062 9.0197 9.0197 9.2934 9.2934 9.8852 9.8852 10.3902 10.3902 10.8831 10.8831 11.0198 11.0198 k =-0.2414 0.0851-0.0000 ( 4274 PWs) bands (ev): 2.1085 2.1085 2.8922 2.8922 3.0095 3.0095 3.0276 3.0276 3.0951 3.0951 3.9897 3.9897 4.3143 4.3143 4.5420 4.5420 4.8452 4.8452 5.1676 5.1676 5.3240 5.3240 6.0835 6.0835 8.9887 8.9887 9.2938 9.2938 9.8740 9.8740 10.3968 10.3968 10.8710 10.8710 11.0247 11.0247 k =-0.2586 0.0912-0.0000 ( 4274 PWs) bands (ev): 2.1290 2.1290 2.8950 2.8950 3.0124 3.0124 3.0242 3.0242 3.1049 3.1049 3.9997 3.9997 4.3038 4.3038 4.5420 4.5420 4.8467 4.8467 5.1662 5.1662 5.3268 5.3268 6.0584 6.0584 8.9588 8.9588 9.2934 9.2934 9.8625 9.8625 10.3975 10.3975 10.8524 10.8524 11.0385 11.0385 k =-0.2759 0.0973-0.0000 ( 4270 PWs) bands (ev): 2.1491 2.1491 2.8976 2.8976 3.0143 3.0143 3.0209 3.0209 3.1167 3.1167 4.0099 4.0099 4.2936 4.2936 4.5421 4.5421 4.8486 4.8486 5.1648 5.1648 5.3302 5.3302 6.0309 6.0309 8.9306 8.9306 9.2922 9.2922 9.8514 9.8514 10.3916 10.3916 10.8309 10.8309 11.0576 11.0576 k =-0.2931 0.1034-0.0000 ( 4274 PWs) bands (ev): 2.1683 2.1683 2.8998 2.8998 3.0154 3.0154 3.0181 3.0181 3.1303 3.1303 4.0201 4.0201 4.2837 4.2837 4.5421 4.5421 4.8511 4.8511 5.1635 5.1635 5.3341 5.3341 6.0013 6.0013 8.9042 8.9042 9.2902 9.2902 9.8409 9.8409 10.3792 10.3792 10.8088 10.8088 11.0795 11.0795 k =-0.3103 0.1095-0.0000 ( 4274 PWs) bands (ev): 2.1865 2.1865 2.9017 2.9017 3.0146 3.0146 3.0170 3.0170 3.1452 3.1452 4.0301 4.0301 4.2743 4.2743 4.5421 4.5421 4.8541 4.8541 5.1622 5.1622 5.3388 5.3388 5.9696 5.9696 8.8799 8.8799 9.2875 9.2875 9.8312 9.8312 10.3606 10.3606 10.7872 10.7872 11.1028 11.1028 k =-0.3276 0.1155-0.0000 ( 4278 PWs) bands (ev): 2.2036 2.2036 2.9033 2.9033 3.0123 3.0123 3.0172 3.0172 3.1610 3.1610 4.0398 4.0398 4.2656 4.2656 4.5421 4.5421 4.8576 4.8576 5.1609 5.1609 5.3441 5.3441 5.9362 5.9362 8.8578 8.8578 9.2841 9.2841 9.8225 9.8225 10.3367 10.3367 10.7668 10.7668 11.1264 11.1264 k =-0.3448 0.1216-0.0000 ( 4276 PWs) bands (ev): 2.2192 2.2192 2.9045 2.9045 3.0103 3.0103 3.0175 3.0175 3.1772 3.1772 4.0490 4.0490 4.2575 4.2575 4.5422 4.5422 4.8615 4.8615 5.1597 5.1597 5.3503 5.3503 5.9016 5.9016 8.8382 8.8382 9.2802 9.2802 9.8149 9.8149 10.3090 10.3090 10.7480 10.7480 11.1496 11.1496 k =-0.3621 0.1277-0.0000 ( 4274 PWs) bands (ev): 2.2333 2.2333 2.9053 2.9053 3.0084 3.0084 3.0177 3.0177 3.1936 3.1936 4.0576 4.0576 4.2502 4.2502 4.5422 4.5422 4.8657 4.8657 5.1586 5.1586 5.3574 5.3574 5.8663 5.8663 8.8210 8.8210 9.2760 9.2760 9.8083 9.8083 10.2787 10.2787 10.7313 10.7313 11.1718 11.1718 k =-0.3793 0.1338-0.0000 ( 4268 PWs) bands (ev): 2.2459 2.2459 2.9059 2.9059 3.0069 3.0069 3.0179 3.0179 3.2095 3.2095 4.0654 4.0654 4.2438 4.2438 4.5423 4.5423 4.8702 4.8702 5.1576 5.1576 5.3654 5.3654 5.8308 5.8308 8.8062 8.8062 9.2717 9.2717 9.8027 9.8027 10.2476 10.2476 10.7167 10.7167 11.1926 11.1926 k =-0.3966 0.1399-0.0000 ( 4270 PWs) bands (ev): 2.2567 2.2567 2.9063 2.9063 3.0056 3.0056 3.0182 3.0182 3.2245 3.2245 4.0722 4.0722 4.2384 4.2384 4.5424 4.5424 4.8747 4.8747 5.1567 5.1567 5.3743 5.3743 5.7960 5.7960 8.7937 8.7937 9.2675 9.2675 9.7981 9.7981 10.2171 10.2171 10.7043 10.7043 11.2115 11.2115 k =-0.4138 0.1459-0.0000 ( 4266 PWs) bands (ev): 2.2659 2.2659 2.9065 2.9065 3.0046 3.0046 3.0184 3.0184 3.2382 3.2382 4.0780 4.0780 4.2339 4.2339 4.5425 4.5425 4.8790 4.8790 5.1560 5.1560 5.3840 5.3840 5.7627 5.7627 8.7836 8.7836 9.2635 9.2635 9.7943 9.7943 10.1886 10.1886 10.6941 10.6941 11.2282 11.2282 k =-0.4310 0.1520-0.0000 ( 4270 PWs) bands (ev): 2.2734 2.2734 2.9065 2.9065 3.0038 3.0038 3.0186 3.0186 3.2501 3.2501 4.0827 4.0827 4.2303 4.2303 4.5426 4.5426 4.8830 4.8830 5.1553 5.1553 5.3940 5.3940 5.7320 5.7320 8.7756 8.7756 9.2600 9.2600 9.7914 9.7914 10.1634 10.1634 10.6860 10.6860 11.2423 11.2423 k =-0.4483 0.1581-0.0000 ( 4268 PWs) bands (ev): 2.2792 2.2792 2.9065 2.9065 3.0032 3.0032 3.0188 3.0188 3.2599 3.2599 4.0863 4.0863 4.2277 4.2277 4.5427 4.5427 4.8864 4.8864 5.1548 5.1548 5.4039 5.4039 5.7052 5.7052 8.7696 8.7696 9.2572 9.2572 9.7892 9.7892 10.1426 10.1426 10.6799 10.6799 11.2535 11.2535 k =-0.4655 0.1642-0.0000 ( 4270 PWs) bands (ev): 2.2833 2.2833 2.9065 2.9065 3.0028 3.0028 3.0190 3.0190 3.2671 3.2671 4.0889 4.0889 4.2259 4.2259 4.5428 4.5428 4.8890 4.8890 5.1545 5.1545 5.4126 5.4126 5.6840 5.6840 8.7654 8.7654 9.2550 9.2550 9.7877 9.7877 10.1271 10.1271 10.6756 10.6756 11.2617 11.2617 k =-0.4828 0.1703-0.0000 ( 4264 PWs) bands (ev): 2.2858 2.2858 2.9064 2.9064 3.0026 3.0026 3.0191 3.0191 3.2715 3.2715 4.0904 4.0904 4.2248 4.2248 4.5428 4.5428 4.8907 4.8907 5.1543 5.1543 5.4187 5.4187 5.6701 5.6701 8.7629 8.7629 9.2537 9.2537 9.7868 9.7868 10.1176 10.1176 10.6731 10.6731 11.2666 11.2666 k =-0.5000 0.1763-0.0000 ( 4268 PWs) bands (ev): 2.2866 2.2866 2.9064 2.9064 3.0025 3.0025 3.0191 3.0191 3.2730 3.2730 4.0909 4.0909 4.2244 4.2244 4.5429 4.5429 4.8912 4.8912 5.1542 5.1542 5.4209 5.4209 5.6653 5.6653 8.7621 8.7621 9.2533 9.2533 9.7866 9.7866 10.1144 10.1144 10.6723 10.6723 11.2683 11.2683 k =-0.5000 0.1763-0.0000 ( 4268 PWs) bands (ev): 2.2866 2.2866 2.9064 2.9064 3.0025 3.0025 3.0191 3.0191 3.2730 3.2730 4.0909 4.0909 4.2244 4.2244 4.5429 4.5429 4.8912 4.8912 5.1542 5.1542 5.4209 5.4209 5.6653 5.6653 8.7621 8.7621 9.2533 9.2533 9.7866 9.7866 10.1144 10.1144 10.6723 10.6723 11.2683 11.2683 k =-0.4937 0.1941-0.0000 ( 4272 PWs) bands (ev): 2.2874 2.2874 2.9065 2.9065 3.0027 3.0027 3.0197 3.0197 3.2740 3.2740 4.0912 4.0912 4.2247 4.2247 4.5430 4.5430 4.8914 4.8914 5.1534 5.1534 5.4206 5.4206 5.6686 5.6686 8.7638 8.7638 9.2497 9.2497 9.7855 9.7855 10.1155 10.1155 10.6727 10.6727 11.2664 11.2664 k =-0.4875 0.2118-0.0000 ( 4272 PWs) bands (ev): 2.2896 2.2896 2.9068 2.9068 3.0034 3.0034 3.0214 3.0214 3.2769 3.2769 4.0921 4.0921 4.2253 4.2253 4.5435 4.5435 4.8918 4.8918 5.1511 5.1511 5.4199 5.4199 5.6782 5.6782 8.7689 8.7689 9.2392 9.2392 9.7822 9.7822 10.1188 10.1188 10.6740 10.6740 11.2608 11.2608 k =-0.4812 0.2295-0.0000 ( 4272 PWs) bands (ev): 2.2932 2.2932 2.9074 2.9074 3.0046 3.0046 3.0241 3.0241 3.2817 3.2817 4.0937 4.0937 4.2264 4.2264 4.5443 4.5443 4.8925 4.8925 5.1473 5.1473 5.4189 5.4189 5.6939 5.6939 8.7770 8.7770 9.2220 9.2220 9.7768 9.7768 10.1242 10.1242 10.6761 10.6761 11.2514 11.2514 k =-0.4750 0.2473-0.0000 ( 4272 PWs) bands (ev): 2.2983 2.2983 2.9083 2.9083 3.0062 3.0062 3.0277 3.0277 3.2885 3.2885 4.0958 4.0958 4.2280 4.2280 4.5456 4.5456 4.8935 4.8935 5.1423 5.1423 5.4181 5.4181 5.7151 5.7151 8.7878 8.7878 9.1988 9.1988 9.7694 9.7694 10.1316 10.1316 10.6790 10.6790 11.2382 11.2382 k =-0.4687 0.2650-0.0000 ( 4272 PWs) bands (ev): 2.3047 2.3047 2.9095 2.9095 3.0083 3.0083 3.0320 3.0320 3.2972 3.2972 4.0984 4.0984 4.2302 4.2302 4.5477 4.5477 4.8947 4.8947 5.1363 5.1363 5.4175 5.4175 5.7412 5.7412 8.8006 8.8006 9.1705 9.1705 9.7600 9.7600 10.1407 10.1407 10.6826 10.6826 11.2214 11.2214 k =-0.4625 0.2827-0.0000 ( 4268 PWs) bands (ev): 2.3123 2.3123 2.9111 2.9111 3.0108 3.0108 3.0370 3.0370 3.3078 3.3078 4.1014 4.1014 4.2329 4.2329 4.5506 4.5506 4.8961 4.8961 5.1294 5.1294 5.4175 5.4175 5.7716 5.7716 8.8140 8.8140 9.1386 9.1386 9.7488 9.7488 10.1515 10.1515 10.6868 10.6868 11.2011 11.2011 k =-0.4562 0.3005-0.0000 ( 4264 PWs) bands (ev): 2.3212 2.3212 2.9131 2.9131 3.0137 3.0137 3.0425 3.0425 3.3203 3.3203 4.1048 4.1048 4.2363 4.2363 4.5546 4.5546 4.8977 4.8977 5.1219 5.1219 5.4181 5.4181 5.8060 5.8060 8.8259 8.8259 9.1054 9.1054 9.7359 9.7359 10.1634 10.1634 10.6916 10.6916 11.1774 11.1774 k =-0.4500 0.3182-0.0000 ( 4264 PWs) bands (ev): 2.3312 2.3312 2.9155 2.9155 3.0169 3.0169 3.0484 3.0484 3.3346 3.3346 4.1085 4.1085 4.2404 4.2404 4.5599 4.5599 4.8995 4.8995 5.1141 5.1141 5.4194 5.4194 5.8439 5.8439 8.8327 8.8327 9.0749 9.0749 9.7214 9.7214 10.1763 10.1763 10.6968 10.6968 11.1505 11.1505 k =-0.4437 0.3359-0.0000 ( 4264 PWs) bands (ev): 2.3421 2.3421 2.9183 2.9183 3.0204 3.0204 3.0546 3.0546 3.3505 3.3505 4.1124 4.1124 4.2454 4.2454 4.5667 4.5667 4.9013 4.9013 5.1060 5.1060 5.4214 5.4214 5.8849 5.8849 8.8285 8.8285 9.0527 9.0527 9.7053 9.7053 10.1896 10.1896 10.7023 10.7023 11.1210 11.1210 k =-0.4375 0.3537-0.0000 ( 4270 PWs) bands (ev): 2.3540 2.3540 2.9216 2.9216 3.0239 3.0239 3.0612 3.0612 3.3680 3.3680 4.1164 4.1164 4.2512 4.2512 4.5752 4.5752 4.9031 4.9031 5.0979 5.0979 5.4241 5.4241 5.9289 5.9289 8.8082 8.8082 9.0441 9.0441 9.6877 9.6877 10.2027 10.2027 10.7079 10.7079 11.0894 11.0894 k =-0.4312 0.3714-0.0000 ( 4270 PWs) bands (ev): 2.3666 2.3666 2.9252 2.9252 3.0276 3.0276 3.0679 3.0679 3.3870 3.3870 4.1206 4.1206 4.2581 4.2581 4.5856 4.5856 4.9050 4.9050 5.0900 5.0900 5.4274 5.4274 5.9755 5.9755 8.7720 8.7720 9.0487 9.0487 9.6684 9.6684 10.2151 10.2151 10.7135 10.7135 11.0565 11.0565 k =-0.4249 0.3891-0.0000 ( 4270 PWs) bands (ev): 2.3798 2.3798 2.9291 2.9291 3.0313 3.0313 3.0748 3.0748 3.4072 3.4072 4.1248 4.1248 4.2662 4.2662 4.5978 4.5978 4.9067 4.9067 5.0822 5.0822 5.4312 5.4312 6.0246 6.0246 8.7243 8.7243 9.0617 9.0617 9.6472 9.6472 10.2260 10.2260 10.7188 10.7188 11.0236 11.0236 k =-0.4187 0.4069-0.0000 ( 4274 PWs) bands (ev): 2.3936 2.3936 2.9334 2.9334 3.0350 3.0350 3.0818 3.0818 3.4284 3.4284 4.1292 4.1292 4.2755 4.2755 4.6121 4.6121 4.9083 4.9083 5.0749 5.0749 5.4357 5.4357 6.0758 6.0758 8.6696 8.6696 9.0783 9.0783 9.6238 9.6238 10.2344 10.2344 10.7237 10.7237 10.9921 10.9921 k =-0.4124 0.4246-0.0000 ( 4278 PWs) bands (ev): 2.4078 2.4078 2.9379 2.9379 3.0387 3.0387 3.0889 3.0889 3.4504 3.4504 4.1336 4.1336 4.2862 4.2862 4.6283 4.6283 4.9098 4.9098 5.0681 5.0681 5.4407 5.4407 6.1292 6.1292 8.6106 8.6106 9.0949 9.0949 9.5977 9.5977 10.2393 10.2393 10.7280 10.7280 10.9639 10.9639 k =-0.4062 0.4423-0.0000 ( 4274 PWs) bands (ev): 2.4224 2.4224 2.9426 2.9426 3.0424 3.0424 3.0960 3.0960 3.4731 3.4731 4.1380 4.1380 4.2985 4.2985 4.6463 4.6463 4.9109 4.9109 5.0619 5.0619 5.4462 5.4462 6.1844 6.1844 8.5492 8.5492 9.1090 9.1090 9.5684 9.5684 10.2396 10.2396 10.7315 10.7315 10.9410 10.9410 k =-0.3999 0.4601-0.0000 ( 4262 PWs) bands (ev): 2.4371 2.4371 2.9475 2.9475 3.0461 3.0461 3.1030 3.1030 3.4961 3.4961 4.1426 4.1426 4.3126 4.3126 4.6659 4.6659 4.9119 4.9119 5.0565 5.0565 5.4521 5.4521 6.2414 6.2414 8.4867 8.4867 9.1182 9.1182 9.5358 9.5358 10.2338 10.2338 10.7340 10.7340 10.9257 10.9257 k =-0.3937 0.4778-0.0000 ( 4252 PWs) bands (ev): 2.4519 2.4519 2.9523 2.9523 3.0498 3.0498 3.1100 3.1100 3.5193 3.5193 4.1472 4.1472 4.3286 4.3286 4.6868 4.6868 4.9127 4.9127 5.0520 5.0520 5.4585 5.4585 6.2999 6.2999 8.4239 8.4239 9.1199 9.1199 9.5005 9.5005 10.2208 10.2208 10.7354 10.7354 10.9198 10.9198 k =-0.3874 0.4956-0.0000 ( 4248 PWs) bands (ev): 2.4667 2.4667 2.9571 2.9571 3.0536 3.0536 3.1167 3.1167 3.5424 3.5424 4.1518 4.1518 4.3466 4.3466 4.7085 4.7085 4.9135 4.9135 5.0485 5.0485 5.4654 5.4654 6.3599 6.3599 8.3615 8.3615 9.1107 9.1107 9.4646 9.4646 10.1992 10.1992 10.7357 10.7357 10.9249 10.9249 k =-0.3812 0.5133-0.0000 ( 4248 PWs) bands (ev): 2.4815 2.4815 2.9618 2.9618 3.0573 3.0573 3.1233 3.1233 3.5652 3.5652 4.1565 4.1565 4.3669 4.3669 4.7305 4.7305 4.9148 4.9148 5.0461 5.0461 5.4726 5.4726 6.4211 6.4211 8.3000 8.3000 9.0865 9.0865 9.4316 9.4316 10.1680 10.1680 10.7349 10.7349 10.9419 10.9419 k =-0.3749 0.5310-0.0000 ( 4244 PWs) bands (ev): 2.4961 2.4961 2.9663 2.9663 3.0612 3.0612 3.1296 3.1296 3.5876 3.5876 4.1611 4.1611 4.3895 4.3895 4.7519 4.7519 4.9171 4.9171 5.0448 5.0448 5.4803 5.4803 6.4836 6.4836 8.2401 8.2401 9.0436 9.0436 9.4054 9.4054 10.1262 10.1262 10.7332 10.7332 10.9708 10.9708 k =-0.3687 0.5488-0.0000 ( 4254 PWs) bands (ev): 2.5104 2.5104 2.9705 2.9705 3.0651 3.0651 3.1356 3.1356 3.6095 3.6095 4.1656 4.1656 4.4144 4.4144 4.7713 4.7713 4.9213 4.9213 5.0447 5.0447 5.4883 5.4883 6.5471 6.5471 8.1821 8.1821 8.9810 8.9810 9.3881 9.3881 10.0734 10.0734 10.7307 10.7307 11.0111 11.0111 k =-0.3624 0.5665-0.0000 ( 4258 PWs) bands (ev): 2.5245 2.5245 2.9744 2.9744 3.0690 3.0690 3.1414 3.1414 3.6308 3.6308 4.1699 4.1699 4.4417 4.4417 4.7874 4.7874 4.9286 4.9286 5.0459 5.0459 5.4967 5.4967 6.6116 6.6116 8.1263 8.1263 8.9006 8.9006 9.3788 9.3788 10.0097 10.0097 10.7277 10.7277 11.0617 11.0617 k =-0.3561 0.5842-0.0000 ( 4250 PWs) bands (ev): 2.5382 2.5382 2.9781 2.9781 3.0729 3.0729 3.1469 3.1469 3.6514 3.6514 4.1740 4.1740 4.4713 4.4713 4.7990 4.7990 4.9396 4.9396 5.0487 5.0487 5.5054 5.5054 6.6769 6.6769 8.0733 8.0733 8.8056 8.8056 9.3758 9.3758 9.9359 9.9359 10.7242 10.7242 11.1212 11.1212 k =-0.3499 0.6020-0.0000 ( 4246 PWs) bands (ev): 2.5515 2.5515 2.9814 2.9814 3.0768 3.0768 3.1520 3.1520 3.6714 3.6714 4.1777 4.1777 4.5031 4.5031 4.8057 4.8057 4.9541 4.9541 5.0536 5.0536 5.5144 5.5144 6.7430 6.7430 8.0231 8.0231 8.6995 8.6995 9.3768 9.3768 9.8533 9.8533 10.7204 10.7204 11.1881 11.1881 k =-0.3436 0.6197-0.0000 ( 4246 PWs) bands (ev): 2.5644 2.5644 2.9845 2.9845 3.0804 3.0804 3.1569 3.1569 3.6907 3.6907 4.1811 4.1811 4.5368 4.5368 4.8081 4.8081 4.9705 4.9705 5.0612 5.0612 5.5238 5.5238 6.8097 6.8097 7.9763 7.9763 8.5849 8.5849 9.3794 9.3794 9.7643 9.7643 10.7164 10.7164 11.2607 11.2607 k =-0.3374 0.6374-0.0000 ( 4240 PWs) bands (ev): 2.5768 2.5768 2.9873 2.9873 3.0837 3.0837 3.1616 3.1616 3.7094 3.7094 4.1840 4.1840 4.5722 4.5722 4.8074 4.8074 4.9863 4.9863 5.0726 5.0726 5.5335 5.5335 6.8769 6.8769 7.9329 7.9329 8.4640 8.4640 9.3795 9.3795 9.6739 9.6739 10.7123 10.7123 11.3376 11.3376 k =-0.3311 0.6552-0.0000 ( 4234 PWs) bands (ev): 2.5886 2.5886 2.9898 2.9898 3.0867 3.0867 3.1661 3.1661 3.7276 3.7276 4.1864 4.1864 4.6090 4.6090 4.8045 4.8045 4.9995 4.9995 5.0885 5.0885 5.5436 5.5436 6.9445 6.9445 7.8933 7.8933 8.3385 8.3385 9.3665 9.3665 9.5937 9.5937 10.7082 10.7082 11.4172 11.4172 k =-0.3249 0.6729-0.0000 ( 4242 PWs) bands (ev): 2.5999 2.5999 2.9921 2.9921 3.0891 3.0891 3.1704 3.1704 3.7453 3.7453 4.1883 4.1883 4.6467 4.6467 4.8004 4.8004 5.0097 5.0097 5.1085 5.1085 5.5539 5.5539 7.0125 7.0125 7.8575 7.8575 8.2102 8.2102 9.3198 9.3198 9.5456 9.5456 10.7042 10.7042 11.4980 11.4980 k =-0.3186 0.6906-0.0000 ( 4246 PWs) bands (ev): 2.6106 2.6106 2.9943 2.9943 3.0910 3.0910 3.1746 3.1746 3.7626 3.7626 4.1896 4.1896 4.6847 4.6847 4.7958 4.7958 5.0172 5.0172 5.1314 5.1314 5.5644 5.5644 7.0806 7.0806 7.8257 7.8257 8.0802 8.0802 9.2335 9.2335 9.5367 9.5367 10.7005 10.7005 11.5786 11.5786 k =-0.3124 0.7084-0.0000 ( 4258 PWs) bands (ev): 2.6207 2.6207 2.9963 2.9963 3.0923 3.0923 3.1786 3.1786 3.7797 3.7797 4.1904 4.1904 4.7217 4.7217 4.7919 4.7919 5.0232 5.0232 5.1556 5.1556 5.5752 5.5752 7.1486 7.1486 7.7975 7.7975 7.9504 7.9504 9.1255 9.1255 9.5504 9.5504 10.6972 10.6972 11.6572 11.6572 k =-0.3061 0.7261-0.0000 ( 4258 PWs) bands (ev): 2.6300 2.6300 2.9982 2.9982 3.0928 3.0928 3.1826 3.1826 3.7964 3.7964 4.1906 4.1906 4.7530 4.7530 4.7931 4.7931 5.0282 5.0282 5.1801 5.1801 5.5861 5.5861 7.2163 7.2163 7.7683 7.7683 7.8267 7.8267 9.0081 9.0081 9.5754 9.5754 10.6945 10.6945 11.7285 11.7285 k =-0.2999 0.7438-0.0000 ( 4256 PWs) bands (ev): 2.6387 2.6387 3.0000 3.0000 3.0927 3.0927 3.1865 3.1865 3.8129 3.8129 4.1902 4.1902 4.7647 4.7647 4.8128 4.8128 5.0329 5.0329 5.2040 5.2040 5.5970 5.5970 7.2831 7.2831 7.6816 7.6816 7.7671 7.7671 8.8867 8.8867 9.6076 9.6076 10.6925 10.6925 11.7298 11.7298 k =-0.2936 0.7616-0.0000 ( 4260 PWs) bands (ev): 2.6465 2.6465 3.0017 3.0017 3.0918 3.0918 3.1902 3.1902 3.8291 3.8291 4.1892 4.1892 4.7628 4.7628 4.8446 4.8446 5.0377 5.0377 5.2268 5.2268 5.6077 5.6077 7.3470 7.3470 7.5610 7.5610 7.7508 7.7508 8.7639 8.7639 9.6452 9.6452 10.6914 10.6914 11.6686 11.6686 k =-0.2873 0.7793-0.0000 ( 4252 PWs) bands (ev): 2.6535 2.6535 3.0033 3.0033 3.0903 3.0903 3.1939 3.1939 3.8450 3.8450 4.1877 4.1877 4.7582 4.7582 4.8768 4.8768 5.0433 5.0433 5.2480 5.2480 5.6180 5.6180 7.3866 7.3866 7.4641 7.4641 7.7423 7.7423 8.6415 8.6415 9.6876 9.6876 10.6912 10.6912 11.6019 11.6019 k =-0.2811 0.7970-0.0000 ( 4254 PWs) bands (ev): 2.6597 2.6597 3.0048 3.0048 3.0882 3.0882 3.1975 3.1975 3.8605 3.8605 4.1856 4.1856 4.7530 4.7530 4.9060 4.9060 5.0503 5.0503 5.2674 5.2674 5.6274 5.6274 7.3028 7.3028 7.4927 7.4927 7.7398 7.7398 8.5210 8.5210 9.7342 9.7342 10.6923 10.6923 11.5334 11.5334 k =-0.2811 0.7970-0.0000 ( 4254 PWs) bands (ev): 2.6597 2.6597 3.0048 3.0048 3.0882 3.0882 3.1975 3.1975 3.8605 3.8605 4.1856 4.1856 4.7530 4.7530 4.9060 4.9060 5.0503 5.0503 5.2674 5.2674 5.6274 5.6274 7.3028 7.3028 7.4927 7.4927 7.7398 7.7398 8.5210 8.5210 9.7342 9.7342 10.6923 10.6923 11.5334 11.5334 k =-0.2811 0.7970 0.0188 ( 4254 PWs) bands (ev): 2.6586 2.6586 3.0045 3.0045 3.0874 3.0874 3.1985 3.1985 3.8610 3.8610 4.1863 4.1863 4.7530 4.7530 4.9074 4.9074 5.0513 5.0513 5.2671 5.2671 5.6264 5.6264 7.3038 7.3038 7.4644 7.4644 7.7662 7.7662 8.5254 8.5254 9.7320 9.7320 10.6896 10.6896 11.5264 11.5264 k =-0.2811 0.7970 0.0376 ( 4255 PWs) bands (ev): 2.6553 2.6553 3.0034 3.0034 3.0853 3.0853 3.2016 3.2016 3.8623 3.8623 4.1881 4.1881 4.7532 4.7532 4.9108 4.9108 5.0546 5.0546 5.2664 5.2664 5.6234 5.6234 7.3034 7.3034 7.4045 7.4045 7.8239 7.8239 8.5387 8.5387 9.7257 9.7257 10.6818 10.6818 11.5071 11.5071 k =-0.2811 0.7970 0.0565 ( 4259 PWs) bands (ev): 2.6499 2.6499 3.0018 3.0018 3.0818 3.0818 3.2065 3.2065 3.8646 3.8646 4.1911 4.1911 4.7539 4.7539 4.9150 4.9150 5.0612 5.0612 5.2652 5.2652 5.6185 5.6185 7.2767 7.2767 7.3608 7.3608 7.8900 7.8900 8.5603 8.5603 9.7155 9.7155 10.6687 10.6687 11.4790 11.4790 k =-0.2811 0.7970 0.0753 ( 4257 PWs) bands (ev): 2.6427 2.6427 2.9995 2.9995 3.0771 3.0771 3.2131 3.2131 3.8677 3.8677 4.1951 4.1951 4.7555 4.7555 4.9182 4.9182 5.0724 5.0724 5.2637 5.2637 5.6117 5.6117 7.2038 7.2038 7.3618 7.3618 7.9560 7.9560 8.5898 8.5898 9.7018 9.7018 10.6505 10.6505 11.4452 11.4452 k =-0.2811 0.7970 0.0941 ( 4259 PWs) bands (ev): 2.6339 2.6339 2.9966 2.9966 3.0713 3.0713 3.2210 3.2210 3.8716 3.8716 4.2000 4.2000 4.7583 4.7583 4.9186 4.9186 5.0894 5.0894 5.2617 5.2617 5.6034 5.6034 7.1171 7.1171 7.3785 7.3785 8.0191 8.0191 8.6259 8.6259 9.6852 9.6852 10.6274 10.6274 11.4080 11.4080 k =-0.2811 0.7970 0.1129 ( 4263 PWs) bands (ev): 2.6237 2.6237 2.9932 2.9932 3.0648 3.0648 3.2299 3.2299 3.8762 3.8762 4.2057 4.2057 4.7626 4.7626 4.9156 4.9156 5.1124 5.1124 5.2595 5.2595 5.5937 5.5937 7.0277 7.0277 7.4014 7.4014 8.0787 8.0787 8.6673 8.6673 9.6663 9.6663 10.5998 10.5998 11.3687 11.3687 k =-0.2811 0.7970 0.1318 ( 4255 PWs) bands (ev): 2.6125 2.6125 2.9893 2.9893 3.0576 3.0576 3.2396 3.2396 3.8814 3.8814 4.2120 4.2120 4.7682 4.7682 4.9094 4.9094 5.1411 5.1411 5.2571 5.2571 5.5828 5.5828 6.9383 6.9383 7.4281 7.4281 8.1352 8.1352 8.7122 8.7122 9.6460 9.6460 10.5680 10.5680 11.3278 11.3278 k =-0.2811 0.7970 0.1506 ( 4249 PWs) bands (ev): 2.6006 2.6006 2.9846 2.9846 3.0502 3.0502 3.2498 3.2498 3.8872 3.8872 4.2188 4.2188 4.7747 4.7747 4.9007 4.9007 5.1742 5.1742 5.2549 5.2549 5.5709 5.5709 6.8504 6.8504 7.4577 7.4577 8.1892 8.1892 8.7588 8.7588 9.6250 9.6250 10.5327 10.5327 11.2850 11.2850 k =-0.2811 0.7970 0.1694 ( 4251 PWs) bands (ev): 2.5882 2.5882 2.9790 2.9790 3.0428 3.0428 3.2602 3.2602 3.8934 3.8934 4.2260 4.2260 4.7815 4.7815 4.8907 4.8907 5.2095 5.2095 5.2544 5.2544 5.5585 5.5585 6.7649 6.7649 7.4892 7.4892 8.2416 8.2416 8.8053 8.8053 9.6042 9.6042 10.4946 10.4946 11.2401 11.2401 k =-0.2811 0.7970 0.1882 ( 4246 PWs) bands (ev): 2.5757 2.5757 2.9723 2.9723 3.0359 3.0359 3.2706 3.2706 3.9000 3.9000 4.2336 4.2336 4.7873 4.7873 4.8809 4.8809 5.2345 5.2345 5.2672 5.2672 5.5457 5.5457 6.6825 6.6825 7.5220 7.5220 8.2932 8.2932 8.8505 8.8505 9.5841 9.5841 10.4545 10.4545 11.1924 11.1924 k =-0.2811 0.7970 0.2070 ( 4250 PWs) bands (ev): 2.5633 2.5633 2.9643 2.9643 3.0300 3.0300 3.2808 3.2808 3.9069 3.9069 4.2414 4.2414 4.7898 4.7898 4.8737 4.8737 5.2373 5.2373 5.3044 5.3044 5.5331 5.5331 6.6038 6.6038 7.5554 7.5554 8.3445 8.3445 8.8932 8.8932 9.5657 9.5657 10.4132 10.4132 11.1411 11.1411 k =-0.2811 0.7970 0.2259 ( 4254 PWs) bands (ev): 2.5512 2.5512 2.9547 2.9547 3.0253 3.0253 3.2904 3.2904 3.9141 3.9141 4.2494 4.2494 4.7867 4.7867 4.8715 4.8715 5.2347 5.2347 5.3478 5.3478 5.5216 5.5216 6.5294 6.5294 7.5888 7.5888 8.3961 8.3961 8.9329 8.9329 9.5494 9.5494 10.3714 10.3714 11.0858 11.0858 k =-0.2811 0.7970 0.2447 ( 4260 PWs) bands (ev): 2.5396 2.5396 2.9435 2.9435 3.0219 3.0219 3.2995 3.2995 3.9214 3.9214 4.2576 4.2576 4.7772 4.7772 4.8750 4.8750 5.2311 5.2311 5.3906 5.3906 5.5133 5.5133 6.4597 6.4597 7.6217 7.6217 8.4478 8.4478 8.9695 8.9695 9.5358 9.5358 10.3302 10.3302 11.0259 11.0259 k =-0.2811 0.7970 0.2635 ( 4256 PWs) bands (ev): 2.5289 2.5289 2.9309 2.9309 3.0200 3.0200 3.3076 3.3076 3.9290 3.9290 4.2658 4.2658 4.7630 4.7630 4.8826 4.8826 5.2271 5.2271 5.4251 5.4251 5.5151 5.5151 6.3950 6.3950 7.6535 7.6535 8.4995 8.4995 9.0031 9.0031 9.5250 9.5250 10.2902 10.2902 10.9614 10.9614 k =-0.2811 0.7970 0.2823 ( 4252 PWs) bands (ev): 2.5190 2.5190 2.9170 2.9170 3.0193 3.0193 3.3148 3.3148 3.9367 3.9367 4.2739 4.2739 4.7461 4.7461 4.8921 4.8921 5.2230 5.2230 5.4389 5.4389 5.5386 5.5386 6.3357 6.3357 7.6840 7.6840 8.5507 8.5507 9.0343 9.0343 9.5173 9.5173 10.2525 10.2525 10.8924 10.8924 k =-0.2811 0.7970 0.3012 ( 4248 PWs) bands (ev): 2.5102 2.5102 2.9019 2.9019 3.0200 3.0200 3.3208 3.3208 3.9446 3.9446 4.2817 4.2817 4.7277 4.7277 4.9021 4.9021 5.2189 5.2189 5.4358 5.4358 5.5795 5.5795 6.2821 6.2821 7.7130 7.7130 8.6005 8.6005 9.0643 9.0643 9.5123 9.5123 10.2179 10.2179 10.8194 10.8194 k =-0.2811 0.7970 0.3200 ( 4251 PWs) bands (ev): 2.5026 2.5026 2.8859 2.8859 3.0217 3.0217 3.3255 3.3255 3.9528 3.9528 4.2890 4.2890 4.7089 4.7089 4.9116 4.9116 5.2150 5.2150 5.4266 5.4266 5.6266 5.6266 6.2343 6.2343 7.7407 7.7407 8.6476 8.6476 9.0943 9.0943 9.5097 9.5097 10.1872 10.1872 10.7433 10.7433 k =-0.2811 0.7970 0.3388 ( 4249 PWs) bands (ev): 2.4963 2.4963 2.8690 2.8690 3.0246 3.0246 3.3288 3.3288 3.9613 3.9613 4.2956 4.2956 4.6903 4.6903 4.9200 4.9200 5.2116 5.2116 5.4156 5.4156 5.6748 5.6748 6.1925 6.1925 7.7672 7.7672 8.6904 8.6904 9.1257 9.1257 9.5088 9.5088 10.1613 10.1613 10.6650 10.6650 k =-0.2811 0.7970 0.3576 ( 4249 PWs) bands (ev): 2.4914 2.4914 2.8514 2.8514 3.0285 3.0285 3.3306 3.3306 3.9702 3.9702 4.3012 4.3012 4.6723 4.6723 4.9268 4.9268 5.2088 5.2088 5.4043 5.4043 5.7222 5.7222 6.1566 6.1566 7.7930 7.7930 8.7273 8.7273 9.1602 9.1602 9.5086 9.5086 10.1410 10.1410 10.5858 10.5858 k =-0.2811 0.7970 0.3764 ( 4253 PWs) bands (ev): 2.4880 2.4880 2.8332 2.8332 3.0334 3.0334 3.3309 3.3309 3.9796 3.9796 4.3053 4.3053 4.6556 4.6556 4.9316 4.9316 5.2069 5.2069 5.3931 5.3931 5.7675 5.7675 6.1267 6.1267 7.8186 7.8186 8.7567 8.7567 9.1988 9.1988 9.5081 9.5081 10.1266 10.1266 10.5075 10.5075 k =-0.2811 0.7970 0.3953 ( 4251 PWs) bands (ev): 2.4862 2.4862 2.8144 2.8144 3.0393 3.0393 3.3296 3.3296 3.9895 3.9895 4.3076 4.3076 4.6406 4.6406 4.9343 4.9343 5.2060 5.2060 5.3825 5.3825 5.8098 5.8098 6.1028 6.1028 7.8449 7.8449 8.7776 8.7776 9.2416 9.2416 9.5066 9.5066 10.1178 10.1178 10.4321 10.4321 k =-0.2811 0.7970 0.4141 ( 4252 PWs) bands (ev): 2.4859 2.4859 2.7951 2.7951 3.0460 3.0460 3.3268 3.3268 4.0000 4.0000 4.3077 4.3077 4.6277 4.6277 4.9347 4.9347 5.2062 5.2062 5.3726 5.3726 5.8482 5.8482 6.0845 6.0845 7.8725 7.8725 8.7898 8.7898 9.2877 9.2877 9.5032 9.5032 10.1132 10.1132 10.3630 10.3630 k =-0.2811 0.7970 0.4329 ( 4249 PWs) bands (ev): 2.4872 2.4872 2.7755 2.7755 3.0535 3.0535 3.3226 3.3226 4.0111 4.0111 4.3054 4.3054 4.6172 4.6172 4.9330 4.9330 5.2076 5.2076 5.3633 5.3633 5.8819 5.8819 6.0718 6.0718 7.9021 7.9021 8.7935 8.7935 9.3352 9.3352 9.4980 9.4980 10.1095 10.1095 10.3047 10.3047 k =-0.2811 0.7970 0.4517 ( 4245 PWs) bands (ev): 2.4901 2.4901 2.7557 2.7557 3.0618 3.0618 3.3170 3.3170 4.0229 4.0229 4.3005 4.3005 4.6093 4.6093 4.9295 4.9295 5.2100 5.2100 5.3547 5.3547 5.9106 5.9106 6.0642 6.0642 7.9345 7.9345 8.7894 8.7894 9.3812 9.3812 9.4911 9.4911 10.1009 10.1009 10.2645 10.2645 k =-0.2811 0.7970 0.4706 ( 4247 PWs) bands (ev): 2.4947 2.4947 2.7357 2.7357 3.0707 3.0707 3.3103 3.3103 4.0354 4.0354 4.2929 4.2929 4.6039 4.6039 4.9244 4.9244 5.2132 5.2132 5.3469 5.3469 5.9341 5.9341 6.0611 6.0611 7.9699 7.9699 8.7780 8.7780 9.4216 9.4216 9.4840 9.4840 10.0840 10.0840 10.2469 10.2469 k =-0.2811 0.7970 0.4894 ( 4255 PWs) bands (ev): 2.5008 2.5008 2.7157 2.7157 3.0800 3.0800 3.3026 3.3026 4.0485 4.0485 4.2830 4.2830 4.6008 4.6008 4.9183 4.9183 5.2172 5.2172 5.3397 5.3397 5.9529 5.9529 6.0612 6.0612 8.0087 8.0087 8.7598 8.7598 9.4483 9.4483 9.4817 9.4817 10.0646 10.0646 10.2473 10.2473 k =-0.2811 0.7970 0.5082 ( 4247 PWs) bands (ev): 2.5084 2.5084 2.6958 2.6958 3.0896 3.0896 3.2942 3.2942 4.0621 4.0621 4.2711 4.2711 4.5997 4.5997 4.9117 4.9117 5.2215 5.2215 5.3332 5.3332 5.9680 5.9680 6.0631 6.0631 8.0506 8.0506 8.7354 8.7354 9.4512 9.4512 9.4928 9.4928 10.0518 10.0518 10.2568 10.2568 k =-0.2811 0.7970 0.5270 ( 4249 PWs) bands (ev): 2.5176 2.5176 2.6762 2.6762 3.0992 3.0992 3.2855 3.2855 4.0762 4.0762 4.2578 4.2578 4.6000 4.6000 4.9050 4.9050 5.2259 5.2259 5.3273 5.3273 5.9805 5.9805 6.0654 6.0654 8.0952 8.0952 8.7055 8.7055 9.4439 9.4439 9.5033 9.5033 10.0502 10.0502 10.2690 10.2690 k =-0.2811 0.7970 0.5458 ( 4249 PWs) bands (ev): 2.5281 2.5281 2.6569 2.6569 3.1084 3.1084 3.2769 3.2769 4.0904 4.0904 4.2435 4.2435 4.6011 4.6011 4.8988 4.8988 5.2302 5.2302 5.3222 5.3222 5.9913 5.9913 6.0668 6.0668 8.1412 8.1412 8.6713 8.6713 9.4355 9.4355 9.5066 9.5066 10.0588 10.0588 10.2805 10.2805 k =-0.2811 0.7970 0.5647 ( 4251 PWs) bands (ev): 2.5400 2.5400 2.6383 2.6383 3.1168 3.1168 3.2689 3.2689 4.1045 4.1045 4.2292 4.2292 4.6027 4.6027 4.8933 4.8933 5.2341 5.2341 5.3180 5.3180 6.0008 6.0008 6.0670 6.0670 8.1867 8.1867 8.6349 8.6349 9.4280 9.4280 9.5047 9.5047 10.0736 10.0736 10.2894 10.2894 k =-0.2811 0.7970 0.5835 ( 4256 PWs) bands (ev): 2.5528 2.5528 2.6205 2.6205 3.1236 3.1236 3.2623 3.2623 4.1175 4.1175 4.2157 4.2157 4.6041 4.6041 4.8892 4.8892 5.2371 5.2371 5.3147 5.3147 6.0085 6.0085 6.0661 6.0661 8.2280 8.2280 8.6000 8.6000 9.4221 9.4221 9.5009 9.5009 10.0894 10.0894 10.2952 10.2952 k =-0.2811 0.7970 0.6023 ( 4258 PWs) bands (ev): 2.5660 2.5660 2.6043 2.6043 3.1281 3.1281 3.2579 3.2579 4.1277 4.1277 4.2052 4.2052 4.6051 4.6051 4.8865 4.8865 5.2391 5.2391 5.3126 5.3126 6.0140 6.0140 6.0648 6.0648 8.2588 8.2588 8.5729 8.5729 9.4184 9.4184 9.4977 9.4977 10.1012 10.1012 10.2983 10.2983 k =-0.2811 0.7970 0.6211 ( 4254 PWs) bands (ev): 2.5745 2.5745 2.5949 2.5949 3.1297 3.1297 3.2563 3.2563 4.1318 4.1318 4.2010 4.2010 4.6055 4.6055 4.8856 4.8856 5.2398 5.2398 5.3119 5.3119 6.0159 6.0159 6.0642 6.0642 8.2707 8.2707 8.5623 8.5623 9.4171 9.4171 9.4964 9.4964 10.1055 10.1055 10.2992 10.2992 k =-0.2811 0.7970 0.6211 ( 4254 PWs) bands (ev): 2.5745 2.5745 2.5949 2.5949 3.1297 3.1297 3.2563 3.2563 4.1318 4.1318 4.2010 4.2010 4.6055 4.6055 4.8856 4.8856 5.2398 5.2398 5.3119 5.3119 6.0159 6.0159 6.0642 6.0642 8.2707 8.2707 8.5623 8.5623 9.4171 9.4171 9.4964 9.4964 10.1055 10.1055 10.2992 10.2992 k =-0.2873 0.7793 0.6211 ( 4250 PWs) bands (ev): 2.5796 2.5796 2.6006 2.6006 3.1248 3.1248 3.2541 3.2541 4.1357 4.1357 4.2008 4.2008 4.6025 4.6025 4.8852 4.8852 5.2269 5.2269 5.2987 5.2987 6.0182 6.0182 6.0695 6.0695 8.2641 8.2641 8.5505 8.5505 9.4556 9.4556 9.5255 9.5255 10.0975 10.0975 10.3010 10.3010 k =-0.2936 0.7616 0.6211 ( 4262 PWs) bands (ev): 2.5853 2.5853 2.6069 2.6069 3.1202 3.1202 3.2518 3.2518 4.1400 4.1400 4.2000 4.2000 4.6001 4.6001 4.8830 4.8830 5.2128 5.2128 5.2838 5.2838 6.0202 6.0202 6.0741 6.0741 8.2548 8.2548 8.5349 8.5349 9.4994 9.4994 9.5574 9.5574 10.0912 10.0912 10.3053 10.3053 k =-0.2999 0.7438 0.6211 ( 4274 PWs) bands (ev): 2.5916 2.5916 2.6135 2.6135 3.1159 3.1159 3.2494 3.2494 4.1447 4.1447 4.1985 4.1985 4.5984 4.5984 4.8790 4.8790 5.1979 5.1979 5.2674 5.2674 6.0217 6.0217 6.0781 6.0781 8.2425 8.2425 8.5150 8.5150 9.5484 9.5484 9.5916 9.5916 10.0871 10.0871 10.3125 10.3125 k =-0.3061 0.7261 0.6211 ( 4276 PWs) bands (ev): 2.5984 2.5984 2.6205 2.6205 3.1121 3.1121 3.2469 3.2469 4.1497 4.1497 4.1963 4.1963 4.5973 4.5973 4.8730 4.8730 5.1827 5.1827 5.2500 5.2500 6.0226 6.0226 6.0814 6.0814 8.2268 8.2268 8.4910 8.4910 9.6023 9.6023 9.6279 9.6279 10.0856 10.0856 10.3235 10.3235 k =-0.3124 0.7084 0.6211 ( 4280 PWs) bands (ev): 2.6057 2.6057 2.6277 2.6277 3.1087 3.1087 3.2443 3.2443 4.1549 4.1549 4.1933 4.1933 4.5969 4.5969 4.8649 4.8649 5.1677 5.1677 5.2319 5.2319 6.0229 6.0229 6.0838 6.0838 8.2076 8.2076 8.4628 8.4628 9.6607 9.6607 9.6659 9.6659 10.0870 10.0870 10.3388 10.3388 k =-0.3186 0.6906 0.6211 ( 4280 PWs) bands (ev): 2.6134 2.6134 2.6352 2.6352 3.1057 3.1057 3.2416 3.2416 4.1603 4.1603 4.1895 4.1895 4.5970 4.5970 4.8546 4.8546 5.1531 5.1531 5.2134 5.2134 6.0226 6.0226 6.0852 6.0852 8.1847 8.1847 8.4308 8.4308 9.7054 9.7054 9.7233 9.7233 10.0915 10.0915 10.3587 10.3587 k =-0.3249 0.6729 0.6211 ( 4280 PWs) bands (ev): 2.6214 2.6214 2.6429 2.6429 3.1032 3.1032 3.2388 3.2388 4.1658 4.1658 4.1851 4.1851 4.5978 4.5978 4.8422 4.8422 5.1393 5.1393 5.1948 5.1948 6.0214 6.0214 6.0856 6.0856 8.1583 8.1583 8.3953 8.3953 9.7459 9.7459 9.7897 9.7897 10.0991 10.0991 10.3837 10.3837 k =-0.3311 0.6552 0.6211 ( 4272 PWs) bands (ev): 2.6298 2.6298 2.6507 2.6507 3.1011 3.1011 3.2358 3.2358 4.1714 4.1714 4.1798 4.1798 4.5990 4.5990 4.8278 4.8278 5.1265 5.1265 5.1765 5.1765 6.0193 6.0193 6.0849 6.0849 8.1287 8.1287 8.3567 8.3567 9.7870 9.7870 9.8591 9.8591 10.1102 10.1102 10.4139 10.4139 k =-0.3374 0.6374 0.6211 ( 4272 PWs) bands (ev): 2.6384 2.6384 2.6585 2.6585 3.0994 3.0994 3.2327 3.2327 4.1739 4.1739 4.1768 4.1768 4.6006 4.6006 4.8115 4.8115 5.1148 5.1148 5.1587 5.1587 6.0162 6.0162 6.0828 6.0828 8.0964 8.0964 8.3158 8.3158 9.8282 9.8282 9.9302 9.9302 10.1258 10.1258 10.4494 10.4494 k =-0.3436 0.6197 0.6211 ( 4256 PWs) bands (ev): 2.6471 2.6471 2.6663 2.6663 3.0982 3.0982 3.2294 3.2294 4.1674 4.1674 4.1821 4.1821 4.6026 4.6026 4.7938 4.7938 5.1044 5.1044 5.1416 5.1416 6.0119 6.0119 6.0792 6.0792 8.0620 8.0620 8.2732 8.2732 9.8691 9.8691 9.9998 9.9998 10.1484 10.1484 10.4901 10.4901 k =-0.3499 0.6020 0.6211 ( 4264 PWs) bands (ev): 2.6560 2.6560 2.6740 2.6740 3.0973 3.0973 3.2259 3.2259 4.1603 4.1603 4.1871 4.1871 4.6047 4.6047 4.7750 4.7750 5.0950 5.0950 5.1256 5.1256 6.0063 6.0063 6.0741 6.0741 8.0261 8.0261 8.2295 8.2295 9.9092 9.9092 10.0606 10.0606 10.1848 10.1848 10.5360 10.5360 k =-0.3561 0.5842 0.6211 ( 4260 PWs) bands (ev): 2.6649 2.6649 2.6816 2.6816 3.0968 3.0968 3.2221 3.2221 4.1529 4.1529 4.1916 4.1916 4.6069 4.6069 4.7555 4.7555 5.0866 5.0866 5.1108 5.1108 5.9993 5.9993 6.0671 6.0671 7.9894 7.9894 8.1855 8.1855 9.9481 9.9481 10.1041 10.1041 10.2430 10.2430 10.5868 10.5868 k =-0.3624 0.5665 0.6211 ( 4260 PWs) bands (ev): 2.6739 2.6739 2.6891 2.6891 3.0966 3.0966 3.2181 3.2181 4.1451 4.1451 4.1957 4.1957 4.6090 4.6090 4.7358 4.7358 5.0791 5.0791 5.0972 5.0972 5.9908 5.9908 6.0583 6.0583 7.9527 7.9527 8.1419 8.1419 9.9853 9.9853 10.1330 10.1330 10.3197 10.3197 10.6420 10.6420 k =-0.3687 0.5488 0.6211 ( 4256 PWs) bands (ev): 2.6827 2.6827 2.6963 2.6963 3.0966 3.0966 3.2139 3.2139 4.1373 4.1373 4.1990 4.1990 4.6110 4.6110 4.7163 4.7163 5.0725 5.0725 5.0851 5.0851 5.9808 5.9808 6.0475 6.0475 7.9168 7.9168 8.0993 8.0993 10.0206 10.0206 10.1551 10.1551 10.4067 10.4067 10.7008 10.7008 k =-0.3749 0.5310 0.6211 ( 4260 PWs) bands (ev): 2.6915 2.6915 2.7034 2.7034 3.0969 3.0969 3.2094 3.2094 4.1295 4.1295 4.2016 4.2016 4.6127 4.6127 4.6974 4.6974 5.0664 5.0664 5.0745 5.0745 5.9691 5.9691 6.0346 6.0346 7.8823 7.8823 8.0583 8.0583 10.0539 10.0539 10.1743 10.1743 10.4995 10.4995 10.7625 10.7625 k =-0.3812 0.5133 0.6211 ( 4264 PWs) bands (ev): 2.7000 2.7000 2.7101 2.7101 3.0974 3.0974 3.2046 3.2046 4.1219 4.1219 4.2033 4.2033 4.6141 4.6141 4.6793 4.6793 5.0610 5.0610 5.0654 5.0654 5.9558 5.9558 6.0196 6.0196 7.8498 7.8498 8.0194 8.0194 10.0850 10.0850 10.1918 10.1918 10.5964 10.5964 10.8256 10.8256 k =-0.3874 0.4956 0.6211 ( 4260 PWs) bands (ev): 2.7084 2.7084 2.7166 2.7166 3.0980 3.0980 3.1996 3.1996 4.1146 4.1146 4.2041 4.2041 4.6150 4.6150 4.6623 4.6623 5.0562 5.0562 5.0577 5.0577 5.9409 5.9409 6.0025 6.0025 7.8198 7.8198 7.9830 7.9830 10.1140 10.1140 10.2084 10.2084 10.6961 10.6961 10.8883 10.8883 k =-0.3937 0.4778 0.6211 ( 4260 PWs) bands (ev): 2.7164 2.7164 2.7229 2.7229 3.0987 3.0987 3.1943 3.1943 4.1078 4.1078 4.2039 4.2039 4.6154 4.6154 4.6467 4.6467 5.0514 5.0514 5.0518 5.0518 5.9244 5.9244 5.9834 5.9834 7.7929 7.7929 7.9495 7.9495 10.1408 10.1408 10.2243 10.2243 10.7978 10.7978 10.9480 10.9480 k =-0.3999 0.4601 0.6211 ( 4256 PWs) bands (ev): 2.7241 2.7241 2.7288 2.7288 3.0995 3.0995 3.1888 3.1888 4.1015 4.1015 4.2028 4.2028 4.6154 4.6154 4.6325 4.6325 5.0465 5.0465 5.0479 5.0479 5.9067 5.9067 5.9625 5.9625 7.7692 7.7692 7.9190 7.9190 10.1656 10.1656 10.2395 10.2395 10.9004 10.9004 11.0016 11.0016 k =-0.4062 0.4423 0.6211 ( 4268 PWs) bands (ev): 2.7315 2.7315 2.7344 2.7344 3.1002 3.1002 3.1831 3.1831 4.0960 4.0960 4.2006 4.2006 4.6148 4.6148 4.6198 4.6198 5.0427 5.0427 5.0445 5.0445 5.8877 5.8877 5.9401 5.9401 7.7490 7.7490 7.8917 7.8917 10.1886 10.1886 10.2543 10.2543 11.0021 11.0021 11.0454 11.0454 k =-0.4124 0.4246 0.6211 ( 4264 PWs) bands (ev): 2.7384 2.7384 2.7397 2.7397 3.1010 3.1010 3.1773 3.1773 4.0913 4.0913 4.1976 4.1976 4.6087 4.6087 4.6137 4.6137 5.0399 5.0399 5.0415 5.0415 5.8679 5.8679 5.9164 5.9164 7.7322 7.7322 7.8675 7.8675 10.2099 10.2099 10.2687 10.2687 11.0762 11.0762 11.0986 11.0986 k =-0.4187 0.4069 0.6211 ( 4264 PWs) bands (ev): 2.7446 2.7446 2.7448 2.7448 3.1017 3.1017 3.1714 3.1714 4.0874 4.0874 4.1937 4.1937 4.5990 4.5990 4.6121 4.6121 5.0381 5.0381 5.0390 5.0390 5.8474 5.8474 5.8918 5.8918 7.7189 7.7189 7.8464 7.8464 10.2299 10.2299 10.2828 10.2828 11.0928 11.0928 11.1781 11.1781 k =-0.4249 0.3891 0.6211 ( 4264 PWs) bands (ev): 2.7493 2.7493 2.7508 2.7508 3.1023 3.1023 3.1654 3.1654 4.0845 4.0845 4.1891 4.1891 4.5907 4.5907 4.6100 4.6100 5.0369 5.0369 5.0369 5.0369 5.8266 5.8266 5.8668 5.8668 7.7089 7.7089 7.8282 7.8282 10.2487 10.2487 10.2967 10.2967 11.0963 11.0963 11.2127 11.2127 k =-0.4312 0.3714 0.6211 ( 4276 PWs) bands (ev): 2.7536 2.7536 2.7563 2.7563 3.1030 3.1030 3.1595 3.1595 4.0825 4.0825 4.1840 4.1840 4.5837 4.5837 4.6076 4.6076 5.0352 5.0352 5.0363 5.0363 5.8058 5.8058 5.8417 5.8417 7.7018 7.7018 7.8127 7.8127 10.2665 10.2665 10.3104 10.3104 11.0892 11.0892 11.1977 11.1977 k =-0.4375 0.3537 0.6211 ( 4280 PWs) bands (ev): 2.7576 2.7576 2.7612 2.7612 3.1035 3.1035 3.1538 3.1538 4.0814 4.0814 4.1784 4.1784 4.5779 4.5779 4.6047 4.6047 5.0340 5.0340 5.0362 5.0362 5.7854 5.7854 5.8170 5.8170 7.6976 7.6976 7.7995 7.7995 10.2836 10.2836 10.3241 10.3241 11.0745 11.0745 11.1624 11.1624 k =-0.4437 0.3359 0.6211 ( 4276 PWs) bands (ev): 2.7614 2.7614 2.7655 2.7655 3.1041 3.1041 3.1482 3.1482 4.0813 4.0813 4.1724 4.1724 4.5732 4.5732 4.6015 4.6015 5.0332 5.0332 5.0363 5.0363 5.7657 5.7657 5.7931 5.7931 7.6957 7.6957 7.7885 7.7885 10.3001 10.3001 10.3377 10.3377 11.0547 11.0547 11.1218 11.1218 k =-0.4500 0.3182 0.6211 ( 4272 PWs) bands (ev): 2.7648 2.7648 2.7693 2.7693 3.1046 3.1046 3.1428 3.1428 4.0821 4.0821 4.1661 4.1661 4.5696 4.5696 4.5981 4.5981 5.0327 5.0327 5.0366 5.0366 5.7472 5.7472 5.7705 5.7705 7.6958 7.6958 7.7791 7.7791 10.3162 10.3162 10.3512 10.3512 11.0318 11.0318 11.0806 11.0806 k =-0.4562 0.3005 0.6211 ( 4272 PWs) bands (ev): 2.7679 2.7679 2.7726 2.7726 3.1051 3.1051 3.1378 3.1378 4.0838 4.0838 4.1596 4.1596 4.5669 4.5669 4.5945 4.5945 5.0326 5.0326 5.0369 5.0369 5.7300 5.7300 5.7495 5.7495 7.6977 7.6977 7.7712 7.7712 10.3320 10.3320 10.3643 10.3643 11.0072 11.0072 11.0409 11.0409 k =-0.4625 0.2827 0.6211 ( 4264 PWs) bands (ev): 2.7706 2.7706 2.7752 2.7752 3.1058 3.1058 3.1331 3.1331 4.0863 4.0863 4.1531 4.1531 4.5651 4.5651 4.5907 4.5907 5.0328 5.0328 5.0373 5.0373 5.7146 5.7146 5.7305 5.7305 7.7009 7.7009 7.7644 7.7644 10.3473 10.3473 10.3769 10.3769 10.9823 10.9823 11.0038 11.0038 k =-0.4687 0.2650 0.6211 ( 4266 PWs) bands (ev): 2.7731 2.7731 2.7774 2.7774 3.1065 3.1065 3.1288 3.1288 4.0895 4.0895 4.1464 4.1464 4.5641 4.5641 4.5869 4.5869 5.0331 5.0331 5.0375 5.0375 5.7011 5.7011 5.7139 5.7139 7.7051 7.7051 7.7583 7.7583 10.3621 10.3621 10.3886 10.3886 10.9582 10.9582 10.9704 10.9704 k =-0.4750 0.2473 0.6211 ( 4266 PWs) bands (ev): 2.7753 2.7753 2.7789 2.7789 3.1074 3.1074 3.1248 3.1248 4.0934 4.0934 4.1398 4.1398 4.5639 4.5639 4.5831 4.5831 5.0337 5.0337 5.0376 5.0376 5.6900 5.6900 5.6997 5.6997 7.7099 7.7099 7.7528 7.7528 10.3760 10.3760 10.3988 10.3988 10.9359 10.9359 10.9415 10.9415 k =-0.4812 0.2295 0.6211 ( 4266 PWs) bands (ev): 2.7771 2.7771 2.7800 2.7800 3.1084 3.1084 3.1213 3.1213 4.0980 4.0980 4.1332 4.1332 4.5644 4.5644 4.5794 4.5794 5.0343 5.0343 5.0375 5.0375 5.6813 5.6813 5.6883 5.6883 7.7152 7.7152 7.7475 7.7475 10.3886 10.3886 10.4069 10.4069 10.9165 10.9165 10.9182 10.9182 k =-0.4875 0.2118 0.6211 ( 4258 PWs) bands (ev): 2.7786 2.7786 2.7806 2.7806 3.1098 3.1098 3.1182 3.1182 4.1030 4.1030 4.1267 4.1267 4.5657 4.5657 4.5759 4.5759 5.0350 5.0350 5.0373 5.0373 5.6752 5.6752 5.6798 5.6798 7.7207 7.7207 7.7423 7.7423 10.3993 10.3993 10.4122 10.4122 10.9011 10.9011 10.9014 10.9014 k =-0.4937 0.1941 0.6211 ( 4254 PWs) bands (ev): 2.7797 2.7797 2.7807 2.7807 3.1114 3.1114 3.1156 3.1156 4.1085 4.1085 4.1204 4.1204 4.5675 4.5675 4.5727 4.5727 5.0357 5.0357 5.0369 5.0369 5.6720 5.6720 5.6742 5.6742 7.7262 7.7262 7.7371 7.7371 10.4075 10.4075 10.4142 10.4142 10.8908 10.8908 10.8914 10.8914 k =-0.5000 0.1763 0.6211 ( 4244 PWs) bands (ev): 2.7804 2.7804 2.7804 2.7804 3.1133 3.1133 3.1133 3.1133 4.1143 4.1143 4.1143 4.1143 4.5698 4.5698 4.5698 4.5698 5.0363 5.0363 5.0363 5.0363 5.6716 5.6716 5.6716 5.6716 7.7317 7.7317 7.7317 7.7317 10.4126 10.4126 10.4126 10.4126 10.8877 10.8877 10.8877 10.8877 k =-0.5000 0.1763 0.6211 ( 4244 PWs) bands (ev): 2.7804 2.7804 2.7804 2.7804 3.1133 3.1133 3.1133 3.1133 4.1143 4.1143 4.1143 4.1143 4.5698 4.5698 4.5698 4.5698 5.0363 5.0363 5.0363 5.0363 5.6716 5.6716 5.6716 5.6716 7.7317 7.7317 7.7317 7.7317 10.4126 10.4126 10.4126 10.4126 10.8877 10.8877 10.8877 10.8877 k =-0.5000 0.1763 0.6023 ( 4250 PWs) bands (ev): 2.7720 2.7720 2.7884 2.7884 3.1103 3.1103 3.1156 3.1156 4.1042 4.1042 4.1225 4.1225 4.5460 4.5460 4.5906 4.5906 5.0066 5.0066 5.0643 5.0643 5.6222 5.6222 5.7301 5.7301 7.6528 7.6528 7.8076 7.8076 10.3897 10.3897 10.4353 10.4353 10.8590 10.8590 10.9205 10.9205 k =-0.5000 0.1763 0.5835 ( 4252 PWs) bands (ev): 2.7634 2.7634 2.7956 2.7956 3.1067 3.1067 3.1172 3.1172 4.0919 4.0919 4.1292 4.1292 4.5201 4.5201 4.6079 4.6079 4.9756 4.9756 5.0901 5.0901 5.5819 5.5819 5.7971 5.7971 7.5714 7.5714 7.8801 7.8801 10.3667 10.3667 10.4578 10.4578 10.8347 10.8347 10.9571 10.9571 k =-0.5000 0.1763 0.5647 ( 4264 PWs) bands (ev): 2.7551 2.7551 2.8016 2.8016 3.1029 3.1029 3.1179 3.1179 4.0767 4.0767 4.1346 4.1346 4.4931 4.4931 4.6214 4.6214 4.9436 4.9436 5.1134 5.1134 5.5504 5.5504 5.8720 5.8720 7.4882 7.4882 7.9488 7.9488 10.3435 10.3435 10.4801 10.4801 10.8149 10.8149 10.9974 10.9974 k =-0.5000 0.1763 0.5458 ( 4260 PWs) bands (ev): 2.7471 2.7471 2.8058 2.8058 3.0990 3.0990 3.1177 3.1177 4.0579 4.0579 4.1391 4.1391 4.4666 4.4666 4.6314 4.6314 4.9113 4.9113 5.1341 5.1341 5.5272 5.5272 5.9536 5.9536 7.4040 7.4040 8.0135 8.0135 10.3201 10.3201 10.5020 10.5020 10.7999 10.7999 11.0409 11.0409 k =-0.5000 0.1763 0.5270 ( 4264 PWs) bands (ev): 2.7397 2.7397 2.8079 2.8079 3.0953 3.0953 3.1166 3.1166 4.0352 4.0352 4.1427 4.1427 4.4418 4.4418 4.6382 4.6382 4.8790 4.8790 5.1521 5.1521 5.5112 5.5112 6.0407 6.0407 7.3200 7.3200 8.0741 8.0741 10.2966 10.2966 10.5236 10.5236 10.7897 10.7897 11.0875 11.0875 k =-0.5000 0.1763 0.5082 ( 4274 PWs) bands (ev): 2.7331 2.7331 2.8072 2.8072 3.0922 3.0922 3.1145 3.1145 4.0081 4.0081 4.1458 4.1458 4.4198 4.4198 4.6423 4.6423 4.8470 4.8470 5.1676 5.1676 5.5012 5.5012 6.1314 6.1314 7.2375 7.2375 8.1306 8.1306 10.2730 10.2730 10.5449 10.5449 10.7847 10.7847 11.1366 11.1366 k =-0.5000 0.1763 0.4894 ( 4270 PWs) bands (ev): 2.7273 2.7273 2.8034 2.8034 3.0898 3.0898 3.1117 3.1117 3.9768 3.9768 4.1485 4.1485 4.4012 4.4012 4.6444 4.6444 4.8159 4.8159 5.1808 5.1808 5.4962 5.4962 6.2235 6.2235 7.1588 7.1588 8.1831 8.1831 10.2492 10.2492 10.5656 10.5656 10.7848 10.7848 11.1877 11.1877 k =-0.5000 0.1763 0.4706 ( 4272 PWs) bands (ev): 2.7226 2.7226 2.7962 2.7962 3.0881 3.0881 3.1081 3.1081 3.9418 3.9418 4.1511 4.1511 4.3858 4.3858 4.6449 4.6449 4.7858 4.7858 5.1917 5.1917 5.4947 5.4947 6.3132 6.3132 7.0873 7.0873 8.2318 8.2318 10.2252 10.2252 10.5858 10.5858 10.7901 10.7901 11.2400 11.2400 k =-0.5000 0.1763 0.4517 ( 4272 PWs) bands (ev): 2.7191 2.7191 2.7853 2.7853 3.0869 3.0869 3.1042 3.1042 3.9041 3.9041 4.1537 4.1537 4.3732 4.3732 4.6445 4.6445 4.7573 4.7573 5.2007 5.2007 5.4958 5.4958 6.3938 6.3938 7.0297 7.0297 8.2769 8.2769 10.2010 10.2010 10.6053 10.6053 10.8005 10.8005 11.2920 11.2920 k =-0.5000 0.1763 0.4329 ( 4270 PWs) bands (ev): 2.7166 2.7166 2.7709 2.7709 3.0852 3.0852 3.1010 3.1010 3.8646 3.8646 4.1565 4.1565 4.3625 4.3625 4.6437 4.6437 4.7306 4.7306 5.2079 5.2079 5.4983 5.4983 6.4541 6.4541 6.9971 6.9971 8.3187 8.3187 10.1765 10.1765 10.6239 10.6239 10.8159 10.8159 11.3407 11.3407 k =-0.5000 0.1763 0.4141 ( 4274 PWs) bands (ev): 2.7153 2.7153 2.7532 2.7532 3.0814 3.0814 3.0998 3.0998 3.8243 3.8243 4.1595 4.1595 4.3528 4.3528 4.6428 4.6428 4.7066 4.7066 5.2134 5.2134 5.5016 5.5016 6.4800 6.4800 7.0034 7.0034 8.3576 8.3576 10.1519 10.1519 10.6414 10.6414 10.8358 10.8358 11.3788 11.3788 k =-0.5000 0.1763 0.3953 ( 4270 PWs) bands (ev): 2.7144 2.7144 2.7335 2.7335 3.0753 3.0753 3.1007 3.1007 3.7840 3.7840 4.1627 4.1627 4.3435 4.3435 4.6414 4.6414 4.6861 4.6861 5.2173 5.2173 5.5050 5.5050 6.4673 6.4673 7.0530 7.0530 8.3937 8.3937 10.1271 10.1271 10.6575 10.6575 10.8599 10.8599 11.3937 11.3937 k =-0.5000 0.1763 0.3764 ( 4266 PWs) bands (ev): 2.7044 2.7044 2.7216 2.7216 3.0675 3.0675 3.1028 3.1028 3.7444 3.7444 4.1660 4.1660 4.3337 4.3337 4.6377 4.6377 4.6718 4.6718 5.2197 5.2197 5.5081 5.5081 6.4266 6.4266 7.1352 7.1352 8.4276 8.4276 10.1022 10.1022 10.6720 10.6720 10.8875 10.8875 11.3814 11.3814 k =-0.5000 0.1763 0.3576 ( 4258 PWs) bands (ev): 2.6803 2.6803 2.7231 2.7231 3.0586 3.0586 3.1054 3.1054 3.7058 3.7058 4.1694 4.1694 4.3231 4.3231 4.6291 4.6291 4.6667 4.6667 5.2206 5.2206 5.5104 5.5104 6.3710 6.3710 7.2368 7.2368 8.4594 8.4594 10.0772 10.0772 10.6843 10.6843 10.9180 10.9180 11.3517 11.3517 k =-0.5000 0.1763 0.3388 ( 4256 PWs) bands (ev): 2.6530 2.6530 2.7274 2.7274 3.0489 3.0489 3.1080 3.1080 3.6686 3.6686 4.1726 4.1726 4.3115 4.3115 4.6174 4.6174 4.6691 4.6691 5.2200 5.2200 5.5119 5.5119 6.3090 6.3090 7.3494 7.3494 8.4896 8.4896 10.0523 10.0523 10.6937 10.6937 10.9505 10.9505 11.3130 11.3130 k =-0.5000 0.1763 0.3200 ( 4256 PWs) bands (ev): 2.6241 2.6241 2.7336 2.7336 3.0386 3.0386 3.1103 3.1103 3.6330 3.6330 4.1754 4.1754 4.2991 4.2991 4.6058 4.6058 4.6759 4.6759 5.2181 5.2181 5.5122 5.5122 6.2450 6.2450 7.4684 7.4684 8.5184 8.5184 10.0276 10.0276 10.6994 10.6994 10.9842 10.9842 11.2694 11.2694 k =-0.5000 0.1763 0.3012 ( 4256 PWs) bands (ev): 2.5944 2.5944 2.7413 2.7413 3.0278 3.0278 3.1120 3.1120 3.5990 3.5990 4.1776 4.1776 4.2862 4.2862 4.5954 4.5954 4.6857 4.6857 5.2149 5.2149 5.5113 5.5113 6.1817 6.1817 7.5911 7.5911 8.5460 8.5460 10.0033 10.0033 10.7007 10.7007 11.0181 11.0181 11.2232 11.2232 k =-0.5000 0.1763 0.2823 ( 4252 PWs) bands (ev): 2.5643 2.5643 2.7505 2.7505 3.0168 3.0168 3.1132 3.1132 3.5666 3.5666 4.1787 4.1787 4.2733 4.2733 4.5865 4.5865 4.6978 4.6978 5.2105 5.2105 5.5092 5.5092 6.1204 6.1204 7.7158 7.7158 8.5727 8.5727 9.9794 9.9794 10.6966 10.6966 11.0515 11.0515 11.1756 11.1756 k =-0.5000 0.1763 0.2635 ( 4248 PWs) bands (ev): 2.5343 2.5343 2.7612 2.7612 3.0056 3.0056 3.1136 3.1136 3.5357 3.5357 4.1782 4.1782 4.2612 4.2612 4.5789 4.5789 4.7120 4.7120 5.2052 5.2052 5.5059 5.5059 6.0621 6.0621 7.8415 7.8415 8.5987 8.5987 9.9562 9.9562 10.6864 10.6864 11.0832 11.0832 11.1278 11.1278 k =-0.5000 0.1763 0.2447 ( 4242 PWs) bands (ev): 2.5047 2.5047 2.7734 2.7734 2.9945 2.9945 3.1132 3.1132 3.5063 3.5063 4.1756 4.1756 4.2507 4.2507 4.5726 4.5726 4.7278 4.7278 5.1990 5.1990 5.5014 5.5014 6.0073 6.0073 7.9671 7.9671 8.6241 8.6241 9.9338 9.9338 10.6695 10.6695 11.0786 11.0786 11.1144 11.1144 k =-0.5000 0.1763 0.2259 ( 4242 PWs) bands (ev): 2.4760 2.4760 2.7870 2.7870 2.9834 2.9834 3.1120 3.1120 3.4782 3.4782 4.1706 4.1706 4.2424 4.2424 4.5672 4.5672 4.7449 4.7449 5.1924 5.1924 5.4958 5.4958 5.9564 5.9564 8.0916 8.0916 8.6494 8.6494 9.9124 9.9124 10.6455 10.6455 11.0317 11.0317 11.1413 11.1413 k =-0.5000 0.1763 0.2070 ( 4240 PWs) bands (ev): 2.4484 2.4484 2.8018 2.8018 2.9727 2.9727 3.1100 3.1100 3.4514 3.4514 4.1633 4.1633 4.2365 4.2365 4.5627 4.5627 4.7628 4.7628 5.1855 5.1855 5.4893 5.4893 5.9097 5.9097 8.2140 8.2140 8.6749 8.6749 9.8923 9.8923 10.6146 10.6146 10.9852 10.9852 11.1656 11.1656 k =-0.5000 0.1763 0.1882 ( 4242 PWs) bands (ev): 2.4223 2.4223 2.8179 2.8179 2.9624 2.9624 3.1071 3.1071 3.4258 3.4258 4.1543 4.1543 4.2326 4.2326 4.5588 4.5588 4.7811 4.7811 5.1786 5.1786 5.4819 5.4819 5.8671 5.8671 8.3325 8.3325 8.7015 8.7015 9.8735 9.8735 10.5769 10.5769 10.9400 10.9400 11.1869 11.1869 k =-0.5000 0.1763 0.1694 ( 4250 PWs) bands (ev): 2.3980 2.3980 2.8351 2.8351 2.9526 2.9526 3.1033 3.1033 3.4015 3.4015 4.1445 4.1445 4.2301 4.2301 4.5556 4.5556 4.7992 4.7992 5.1721 5.1721 5.4740 5.4740 5.8288 5.8288 8.4445 8.4445 8.7313 8.7313 9.8563 9.8563 10.5332 10.5332 10.8962 10.8962 11.2052 11.2052 k =-0.5000 0.1763 0.1506 ( 4256 PWs) bands (ev): 2.3756 2.3756 2.8533 2.8533 2.9436 2.9436 3.0985 3.0985 3.3784 3.3784 4.1346 4.1346 4.2284 4.2284 4.5528 4.5528 4.8168 4.8168 5.1663 5.1663 5.4657 5.4657 5.7946 5.7946 8.5447 8.5447 8.7685 8.7685 9.8408 9.8408 10.4840 10.4840 10.8546 10.8546 11.2205 11.2205 k =-0.5000 0.1763 0.1318 ( 4258 PWs) bands (ev): 2.3554 2.3554 2.8723 2.8723 2.9353 2.9353 3.0927 3.0927 3.3567 3.3567 4.1252 4.1252 4.2273 4.2273 4.5504 4.5504 4.8333 4.8333 5.1615 5.1615 5.4573 5.4573 5.7645 5.7645 8.6241 8.6241 8.8210 8.8210 9.8271 9.8271 10.4303 10.4303 10.8156 10.8156 11.2332 11.2332 k =-0.5000 0.1763 0.1129 ( 4270 PWs) bands (ev): 2.3376 2.3376 2.8920 2.8920 2.9279 2.9279 3.0858 3.0858 3.3367 3.3367 4.1165 4.1165 4.2264 4.2264 4.5484 4.5484 4.8483 4.8483 5.1578 5.1578 5.4492 5.4492 5.7384 5.7384 8.6771 8.6771 8.8931 8.8931 9.8154 9.8154 10.3733 10.3733 10.7800 10.7800 11.2435 11.2435 k =-0.5000 0.1763 0.0941 ( 4272 PWs) bands (ev): 2.3223 2.3223 2.9120 2.9120 2.9216 2.9216 3.0776 3.0776 3.3186 3.3186 4.1089 4.1089 4.2258 4.2258 4.5467 4.5467 4.8613 4.8613 5.1554 5.1554 5.4415 5.4415 5.7163 5.7163 8.7098 8.7098 8.9767 8.9767 9.8057 9.8057 10.3145 10.3145 10.7486 10.7486 11.2517 11.2517 k =-0.5000 0.1763 0.0753 ( 4278 PWs) bands (ev): 2.3096 2.3096 2.9160 2.9160 2.9326 2.9326 3.0679 3.0679 3.3030 3.3030 4.1025 4.1025 4.2253 4.2253 4.5453 4.5453 4.8721 4.8721 5.1541 5.1541 5.4347 5.4347 5.6981 5.6981 8.7310 8.7310 9.0606 9.0606 9.7980 9.7980 10.2564 10.2564 10.7219 10.7219 11.2580 11.2580 k =-0.5000 0.1763 0.0565 ( 4278 PWs) bands (ev): 2.2996 2.2996 2.9119 2.9119 2.9527 2.9527 3.0566 3.0566 3.2903 3.2903 4.0975 4.0975 4.2249 4.2249 4.5443 4.5443 4.8805 4.8805 5.1537 5.1537 5.4289 5.4289 5.6838 5.6838 8.7453 8.7453 9.1367 9.1367 9.7925 9.7925 10.2022 10.2022 10.7005 10.7005 11.2626 11.2626 k =-0.5000 0.1763 0.0376 ( 4274 PWs) bands (ev): 2.2924 2.2924 2.9088 2.9088 2.9724 2.9724 3.0436 3.0436 3.2808 3.2808 4.0938 4.0938 4.2247 4.2247 4.5435 4.5435 4.8865 4.8865 5.1538 5.1538 5.4245 5.4245 5.6735 5.6735 8.7549 8.7549 9.1983 9.1983 9.7889 9.7889 10.1567 10.1567 10.6849 10.6849 11.2658 11.2658 k =-0.5000 0.1763 0.0188 ( 4276 PWs) bands (ev): 2.2881 2.2881 2.9070 2.9070 2.9908 2.9908 3.0294 3.0294 3.2750 3.2750 4.0916 4.0916 4.2245 4.2245 4.5430 4.5430 4.8901 4.8901 5.1541 5.1541 5.4218 5.4218 5.6673 5.6673 8.7603 8.7603 9.2390 9.2390 9.7871 9.7871 10.1255 10.1255 10.6754 10.6754 11.2677 11.2677 k =-0.5000 0.1763-0.0000 ( 4268 PWs) bands (ev): 2.2866 2.2866 2.9064 2.9064 3.0025 3.0025 3.0191 3.0191 3.2730 3.2730 4.0909 4.0909 4.2244 4.2244 4.5429 4.5429 4.8912 4.8912 5.1542 5.1542 5.4209 5.4209 5.6653 5.6653 8.7621 8.7621 9.2533 9.2533 9.7866 9.7866 10.1144 10.1144 10.6723 10.6723 11.2683 11.2683 k = 0.0000 0.0000 0.6211 ( 4300 PWs) bands (ev): 2.7107 2.7107 2.7107 2.7107 3.2138 3.2138 3.2138 3.2138 3.8860 3.8860 3.8860 3.8860 4.3574 4.3574 4.3574 4.3574 5.0554 5.0554 5.0554 5.0554 5.8386 5.8386 5.8386 5.8386 8.7393 8.7393 8.7393 8.7393 9.7708 9.7708 9.7708 9.7708 9.8920 9.8920 9.8920 9.8920 k =-0.0172 0.0061 0.6211 ( 4298 PWs) bands (ev): 2.7109 2.7109 2.7109 2.7109 3.2134 3.2134 3.2134 3.2134 3.8871 3.8871 3.8871 3.8871 4.3575 4.3575 4.3575 4.3575 5.0552 5.0552 5.0552 5.0552 5.8383 5.8383 5.8383 5.8383 8.7364 8.7364 8.7364 8.7364 9.7725 9.7725 9.7725 9.7725 9.8939 9.8939 9.8939 9.8939 k =-0.0345 0.0122 0.6211 ( 4298 PWs) bands (ev): 2.7115 2.7115 2.7115 2.7115 3.2123 3.2123 3.2123 3.2123 3.8903 3.8903 3.8903 3.8903 4.3578 4.3578 4.3578 4.3578 5.0546 5.0546 5.0546 5.0546 5.8372 5.8372 5.8372 5.8372 8.7275 8.7275 8.7275 8.7275 9.7773 9.7773 9.7773 9.7773 9.8996 9.8996 9.8996 9.8996 k =-0.0517 0.0182 0.6211 ( 4296 PWs) bands (ev): 2.7125 2.7125 2.7125 2.7125 3.2105 3.2105 3.2105 3.2105 3.8955 3.8955 3.8955 3.8955 4.3583 4.3583 4.3583 4.3583 5.0536 5.0536 5.0536 5.0536 5.8354 5.8354 5.8354 5.8354 8.7129 8.7129 8.7129 8.7129 9.7852 9.7852 9.7852 9.7852 9.9093 9.9093 9.9093 9.9093 k =-0.0690 0.0243 0.6211 ( 4284 PWs) bands (ev): 2.7138 2.7138 2.7138 2.7138 3.2081 3.2081 3.2081 3.2081 3.9027 3.9027 3.9027 3.9027 4.3591 4.3591 4.3591 4.3591 5.0522 5.0522 5.0522 5.0522 5.8329 5.8329 5.8329 5.8329 8.6927 8.6927 8.6927 8.6927 9.7962 9.7962 9.7962 9.7962 9.9230 9.9230 9.9230 9.9230 k =-0.0862 0.0304 0.6211 ( 4280 PWs) bands (ev): 2.7156 2.7156 2.7156 2.7156 3.2051 3.2051 3.2051 3.2051 3.9117 3.9117 3.9117 3.9117 4.3602 4.3602 4.3602 4.3602 5.0505 5.0505 5.0505 5.0505 5.8297 5.8297 5.8297 5.8297 8.6671 8.6671 8.6671 8.6671 9.8102 9.8102 9.8102 9.8102 9.9406 9.9406 9.9406 9.9406 k =-0.1034 0.0365 0.6211 ( 4284 PWs) bands (ev): 2.7176 2.7176 2.7176 2.7176 3.2015 3.2015 3.2015 3.2015 3.9224 3.9224 3.9224 3.9224 4.3617 4.3617 4.3617 4.3617 5.0485 5.0485 5.0485 5.0485 5.8258 5.8258 5.8258 5.8258 8.6364 8.6364 8.6364 8.6364 9.8269 9.8269 9.8269 9.8269 9.9624 9.9624 9.9624 9.9624 k =-0.1207 0.0426 0.6211 ( 4290 PWs) bands (ev): 2.7200 2.7200 2.7200 2.7200 3.1975 3.1975 3.1975 3.1975 3.9344 3.9344 3.9344 3.9344 4.3637 4.3637 4.3637 4.3637 5.0462 5.0462 5.0462 5.0462 5.8212 5.8212 5.8212 5.8212 8.6010 8.6010 8.6010 8.6010 9.8463 9.8463 9.8463 9.8463 9.9882 9.9882 9.9882 9.9882 k =-0.1379 0.0486 0.6211 ( 4294 PWs) bands (ev): 2.7226 2.7226 2.7226 2.7226 3.1930 3.1930 3.1930 3.1930 3.9476 3.9476 3.9476 3.9476 4.3664 4.3664 4.3664 4.3664 5.0437 5.0437 5.0437 5.0437 5.8161 5.8161 5.8161 5.8161 8.5612 8.5612 8.5612 8.5612 9.8682 9.8682 9.8682 9.8682 10.0180 10.0180 10.0180 10.0180 k =-0.1552 0.0547 0.6211 ( 4286 PWs) bands (ev): 2.7256 2.7256 2.7256 2.7256 3.1882 3.1882 3.1882 3.1882 3.9617 3.9617 3.9617 3.9617 4.3699 4.3699 4.3699 4.3699 5.0412 5.0412 5.0412 5.0412 5.8103 5.8103 5.8103 5.8103 8.5177 8.5177 8.5177 8.5177 9.8925 9.8925 9.8925 9.8925 10.0517 10.0517 10.0517 10.0517 k =-0.1724 0.0608 0.6211 ( 4288 PWs) bands (ev): 2.7288 2.7288 2.7288 2.7288 3.1832 3.1832 3.1832 3.1832 3.9764 3.9764 3.9764 3.9764 4.3743 4.3743 4.3743 4.3743 5.0385 5.0385 5.0385 5.0385 5.8040 5.8040 5.8040 5.8040 8.4709 8.4709 8.4709 8.4709 9.9189 9.9189 9.9189 9.9189 10.0891 10.0891 10.0891 10.0891 k =-0.1897 0.0669 0.6211 ( 4282 PWs) bands (ev): 2.7321 2.7321 2.7321 2.7321 3.1779 3.1779 3.1779 3.1779 3.9914 3.9914 3.9914 3.9914 4.3797 4.3797 4.3797 4.3797 5.0359 5.0359 5.0359 5.0359 5.7971 5.7971 5.7971 5.7971 8.4214 8.4214 8.4214 8.4214 9.9473 9.9473 9.9473 9.9473 10.1299 10.1299 10.1299 10.1299 k =-0.2069 0.0730 0.6211 ( 4278 PWs) bands (ev): 2.7357 2.7357 2.7357 2.7357 3.1726 3.1726 3.1726 3.1726 4.0062 4.0062 4.0062 4.0062 4.3864 4.3864 4.3864 4.3864 5.0334 5.0334 5.0334 5.0334 5.7898 5.7898 5.7898 5.7898 8.3698 8.3698 8.3698 8.3698 9.9775 9.9775 9.9775 9.9775 10.1739 10.1739 10.1739 10.1739 k =-0.2241 0.0790 0.6211 ( 4280 PWs) bands (ev): 2.7393 2.7393 2.7393 2.7393 3.1672 3.1672 3.1672 3.1672 4.0207 4.0207 4.0207 4.0207 4.3945 4.3945 4.3945 4.3945 5.0310 5.0310 5.0310 5.0310 5.7820 5.7820 5.7820 5.7820 8.3167 8.3167 8.3167 8.3167 10.0091 10.0091 10.0091 10.0091 10.2207 10.2207 10.2207 10.2207 k =-0.2414 0.0851 0.6211 ( 4274 PWs) bands (ev): 2.7431 2.7431 2.7431 2.7431 3.1618 3.1618 3.1618 3.1618 4.0344 4.0344 4.0344 4.0344 4.4040 4.4040 4.4040 4.4040 5.0289 5.0289 5.0289 5.0289 5.7738 5.7738 5.7738 5.7738 8.2627 8.2627 8.2627 8.2627 10.0420 10.0420 10.0420 10.0420 10.2700 10.2700 10.2700 10.2700 k =-0.2586 0.0912 0.6211 ( 4262 PWs) bands (ev): 2.7469 2.7469 2.7469 2.7469 3.1565 3.1565 3.1565 3.1565 4.0472 4.0472 4.0472 4.0472 4.4149 4.4149 4.4149 4.4149 5.0271 5.0271 5.0271 5.0271 5.7653 5.7653 5.7653 5.7653 8.2084 8.2084 8.2084 8.2084 10.0758 10.0758 10.0758 10.0758 10.3213 10.3213 10.3213 10.3213 k =-0.2759 0.0973 0.6211 ( 4262 PWs) bands (ev): 2.7506 2.7506 2.7506 2.7506 3.1513 3.1513 3.1513 3.1513 4.0588 4.0588 4.0588 4.0588 4.4272 4.4272 4.4272 4.4272 5.0256 5.0256 5.0256 5.0256 5.7566 5.7566 5.7566 5.7566 8.1545 8.1545 8.1545 8.1545 10.1102 10.1102 10.1102 10.1102 10.3743 10.3743 10.3743 10.3743 k =-0.2931 0.1034 0.6211 ( 4254 PWs) bands (ev): 2.7543 2.7543 2.7543 2.7543 3.1462 3.1462 3.1462 3.1462 4.0691 4.0691 4.0691 4.0691 4.4407 4.4407 4.4407 4.4407 5.0246 5.0246 5.0246 5.0246 5.7477 5.7477 5.7477 5.7477 8.1015 8.1015 8.1015 8.1015 10.1448 10.1448 10.1448 10.1448 10.4283 10.4283 10.4283 10.4283 k =-0.3103 0.1095 0.6211 ( 4246 PWs) bands (ev): 2.7580 2.7580 2.7580 2.7580 3.1414 3.1414 3.1414 3.1414 4.0782 4.0782 4.0782 4.0782 4.4552 4.4552 4.4552 4.4552 5.0241 5.0241 5.0241 5.0241 5.7386 5.7386 5.7386 5.7386 8.0501 8.0501 8.0501 8.0501 10.1792 10.1792 10.1792 10.1792 10.4829 10.4829 10.4829 10.4829 k =-0.3276 0.1155 0.6211 ( 4236 PWs) bands (ev): 2.7614 2.7614 2.7614 2.7614 3.1369 3.1369 3.1369 3.1369 4.0859 4.0859 4.0859 4.0859 4.4702 4.4702 4.4702 4.4702 5.0240 5.0240 5.0240 5.0240 5.7296 5.7296 5.7296 5.7296 8.0007 8.0007 8.0007 8.0007 10.2130 10.2130 10.2130 10.2130 10.5374 10.5374 10.5374 10.5374 k =-0.3448 0.1216 0.6211 ( 4236 PWs) bands (ev): 2.7647 2.7647 2.7647 2.7647 3.1327 3.1327 3.1327 3.1327 4.0925 4.0925 4.0925 4.0925 4.4855 4.4855 4.4855 4.4855 5.0245 5.0245 5.0245 5.0245 5.7207 5.7207 5.7207 5.7207 7.9541 7.9541 7.9541 7.9541 10.2457 10.2457 10.2457 10.2457 10.5911 10.5911 10.5911 10.5911 k =-0.3621 0.1277 0.6211 ( 4240 PWs) bands (ev): 2.7678 2.7678 2.7678 2.7678 3.1288 3.1288 3.1288 3.1288 4.0979 4.0979 4.0979 4.0979 4.5006 4.5006 4.5006 4.5006 5.0254 5.0254 5.0254 5.0254 5.7120 5.7120 5.7120 5.7120 7.9107 7.9107 7.9107 7.9107 10.2768 10.2768 10.2768 10.2768 10.6433 10.6433 10.6433 10.6433 k =-0.3793 0.1338 0.6211 ( 4244 PWs) bands (ev): 2.7706 2.7706 2.7706 2.7706 3.1253 3.1253 3.1253 3.1253 4.1023 4.1023 4.1023 4.1023 4.5151 4.5151 4.5151 4.5151 5.0267 5.0267 5.0267 5.0267 5.7038 5.7038 5.7038 5.7038 7.8710 7.8710 7.8710 7.8710 10.3058 10.3058 10.3058 10.3058 10.6930 10.6930 10.6930 10.6930 k =-0.3966 0.1399 0.6211 ( 4256 PWs) bands (ev): 2.7731 2.7731 2.7731 2.7731 3.1222 3.1222 3.1222 3.1222 4.1058 4.1058 4.1058 4.1058 4.5285 4.5285 4.5285 4.5285 5.0284 5.0284 5.0284 5.0284 5.6961 5.6961 5.6961 5.6961 7.8355 7.8355 7.8355 7.8355 10.3322 10.3322 10.3322 10.3322 10.7394 10.7394 10.7394 10.7394 k =-0.4138 0.1459 0.6211 ( 4252 PWs) bands (ev): 2.7753 2.7753 2.7753 2.7753 3.1195 3.1195 3.1195 3.1195 4.1086 4.1086 4.1086 4.1086 4.5405 4.5405 4.5405 4.5405 5.0302 5.0302 5.0302 5.0302 5.6891 5.6891 5.6891 5.6891 7.8047 7.8047 7.8047 7.8047 10.3556 10.3556 10.3556 10.3556 10.7813 10.7813 10.7813 10.7813 k =-0.4310 0.1520 0.6211 ( 4256 PWs) bands (ev): 2.7771 2.7771 2.7771 2.7771 3.1173 3.1173 3.1173 3.1173 4.1108 4.1108 4.1108 4.1108 4.5507 4.5507 4.5507 4.5507 5.0321 5.0321 5.0321 5.0321 5.6831 5.6831 5.6831 5.6831 7.7789 7.7789 7.7789 7.7789 10.3755 10.3755 10.3755 10.3755 10.8176 10.8176 10.8176 10.8176 k =-0.4483 0.1581 0.6211 ( 4256 PWs) bands (ev): 2.7785 2.7785 2.7785 2.7785 3.1155 3.1155 3.1155 3.1155 4.1124 4.1124 4.1124 4.1124 4.5589 4.5589 4.5589 4.5589 5.0338 5.0338 5.0338 5.0338 5.6782 5.6782 5.6782 5.6782 7.7584 7.7584 7.7584 7.7584 10.3915 10.3915 10.3915 10.3915 10.8474 10.8474 10.8474 10.8474 k =-0.4655 0.1642 0.6211 ( 4250 PWs) bands (ev): 2.7796 2.7796 2.7796 2.7796 3.1143 3.1143 3.1143 3.1143 4.1134 4.1134 4.1134 4.1134 4.5650 4.5650 4.5650 4.5650 5.0351 5.0351 5.0351 5.0351 5.6746 5.6746 5.6746 5.6746 7.7437 7.7437 7.7437 7.7437 10.4031 10.4031 10.4031 10.4031 10.8695 10.8695 10.8695 10.8695 k =-0.4828 0.1703 0.6211 ( 4256 PWs) bands (ev): 2.7802 2.7802 2.7802 2.7802 3.1135 3.1135 3.1135 3.1135 4.1141 4.1141 4.1141 4.1141 4.5686 4.5686 4.5686 4.5686 5.0360 5.0360 5.0360 5.0360 5.6724 5.6724 5.6724 5.6724 7.7347 7.7347 7.7347 7.7347 10.4102 10.4102 10.4102 10.4102 10.8831 10.8831 10.8831 10.8831 k =-0.5000 0.1763 0.6211 ( 4244 PWs) bands (ev): 2.7804 2.7804 2.7804 2.7804 3.1133 3.1133 3.1133 3.1133 4.1143 4.1143 4.1143 4.1143 4.5698 4.5698 4.5698 4.5698 5.0363 5.0363 5.0363 5.0363 5.6716 5.6716 5.6716 5.6716 7.7317 7.7317 7.7317 7.7317 10.4126 10.4126 10.4126 10.4126 10.8877 10.8877 10.8877 10.8877 Writing output data file LaAu.save init_run : 3.84s CPU 13.21s WALL ( 1 calls) electrons : 745.48s CPU 754.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 745.44s CPU 753.93s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.07s WALL ( 1 calls) v_xc : 0.15s CPU 0.63s WALL ( 1 calls) newd : 0.43s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.27s WALL ( 392 calls) cegterg : 677.70s CPU 683.08s WALL ( 1030 calls) Called by sum_band: Called by *egterg: h_psi : 409.29s CPU 420.49s WALL ( 18878 calls) s_psi : 29.15s CPU 29.55s WALL ( 18878 calls) g_psi : 1.09s CPU 1.13s WALL ( 17456 calls) cdiaghg : 156.92s CPU 153.94s WALL ( 17848 calls) cegterg:over : 57.55s CPU 52.16s WALL ( 17456 calls) cegterg:upda : 9.96s CPU 14.83s WALL ( 17456 calls) cegterg:last : 10.63s CPU 12.35s WALL ( 4081 calls) Called by h_psi: h_psi:vloc : 328.81s CPU 338.06s WALL ( 18878 calls) h_psi:vnl : 80.16s CPU 81.43s WALL ( 18878 calls) add_vuspsi : 26.50s CPU 32.49s WALL ( 18878 calls) General routines calbec : 53.59s CPU 48.81s WALL ( 18878 calls) fft : 0.26s CPU 1.31s WALL ( 19 calls) ffts : 0.02s CPU 0.06s WALL ( 4 calls) fftw : 302.08s CPU 306.77s WALL ( 1802144 calls) interpolate : 0.05s CPU 0.09s WALL ( 4 calls) davcio : 0.06s CPU 1.96s WALL ( 784 calls) Parallel routines fft_scatter : 172.84s CPU 173.95s WALL ( 1802167 calls) PWSCF : 13m23.57s CPU 15m53.52s WALL This run was terminated on: 11:26:45 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. 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