Program PWSCF v.5.1.1 starts on 31Jul2015 at 6:58:56 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: ./Li2O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 10 3 920 440 71 Max 17 11 4 929 453 80 Sum 805 499 151 44243 21419 3619 bravais-lattice index = 14 lattice parameter (alat) = 5.9574 a.u. unit-cell volume = 447.8079 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.957361 celldm(2)= 1.000000 celldm(3)= 2.445678 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.445678 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.408885 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 42a5b1a926f6369f3011008fc0e1d799 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) 24 Sym. Ops., with inversion, found (12 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 ) ( 1.2228390 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2228390 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2228390 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2228390 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2228390 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2228390 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2228390 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2228390 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2228390 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2228390 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2228390 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2228390 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' i -i s_h -C2 -3C2' -3C2' -s_h G_7+ 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 2.00 -2.00 0.00 G_8+ 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 2.00 -2.00 0.00 G_9+ 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 -2.00 2.00 0.00 G_8- 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 -2.00 2.00 0.00 G_9- 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 -2.00 2.00 0.00 2S6 -2S6 2S3 -2S3 3s_v 3s_d -3s_v -3s_d G_7+ 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8+ 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9+ -2.00 2.00 0.00 0.00 0.00 0.00 G_7- -1.00 1.00 -1.73 1.73 0.00 0.00 G_8- -1.00 1.00 1.73 -1.73 0.00 0.00 G_9- 2.00 -2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 i 13 s_h -s_h 14 -14 3s_v-3s_v 15 -15 21 22 -22 -21 3s_d-3s_d 16 -16 24 -23 23 -24 2S3 17 18 2S6 19 20 -E -1 -2C6 -5 -6 -2C3 -7 -8 -i -13 -2S3 -17 -18 -2S6 -19 -20 Cartesian axes number of k points= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0086207 0.0049772 -0.0000000), wk = 0.0025641 k( 3) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0025641 k( 4) = ( 0.0258621 0.0149315 -0.0000000), wk = 0.0025641 k( 5) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0431035 0.0248858 -0.0000000), wk = 0.0025641 k( 7) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0025641 k( 8) = ( 0.0603448 0.0348401 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0025641 k( 10) = ( 0.0775862 0.0447944 -0.0000000), wk = 0.0025641 k( 11) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0025641 k( 12) = ( 0.0948276 0.0547487 -0.0000000), wk = 0.0025641 k( 13) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0025641 k( 14) = ( 0.1120690 0.0647030 -0.0000000), wk = 0.0025641 k( 15) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0025641 k( 16) = ( 0.1293103 0.0746574 -0.0000000), wk = 0.0025641 k( 17) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0025641 k( 18) = ( 0.1465517 0.0846117 -0.0000000), wk = 0.0025641 k( 19) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0025641 k( 20) = ( 0.1637931 0.0945660 -0.0000000), wk = 0.0025641 k( 21) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0025641 k( 22) = ( 0.1810345 0.1045203 -0.0000000), wk = 0.0025641 k( 23) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0025641 k( 24) = ( 0.1982759 0.1144746 -0.0000000), wk = 0.0025641 k( 25) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0025641 k( 26) = ( 0.2155172 0.1244289 -0.0000000), wk = 0.0025641 k( 27) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0025641 k( 28) = ( 0.2327586 0.1343833 -0.0000000), wk = 0.0025641 k( 29) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0025641 k( 30) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0025641 k( 31) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0025641 k( 32) = ( 0.2672414 0.1542919 -0.0000000), wk = 0.0025641 k( 33) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0025641 k( 34) = ( 0.2844828 0.1642462 -0.0000000), wk = 0.0025641 k( 35) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0025641 k( 36) = ( 0.3017241 0.1742005 -0.0000000), wk = 0.0025641 k( 37) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0025641 k( 38) = ( 0.3189655 0.1841548 -0.0000000), wk = 0.0025641 k( 39) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0025641 k( 40) = ( 0.3362069 0.1941091 -0.0000000), wk = 0.0025641 k( 41) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0025641 k( 42) = ( 0.3534483 0.2040635 -0.0000000), wk = 0.0025641 k( 43) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0025641 k( 44) = ( 0.3706897 0.2140178 -0.0000000), wk = 0.0025641 k( 45) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0025641 k( 46) = ( 0.3879310 0.2239721 -0.0000000), wk = 0.0025641 k( 47) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0025641 k( 48) = ( 0.4051724 0.2339264 -0.0000000), wk = 0.0025641 k( 49) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0025641 k( 50) = ( 0.4224138 0.2438807 -0.0000000), wk = 0.0025641 k( 51) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0025641 k( 52) = ( 0.4396552 0.2538350 -0.0000000), wk = 0.0025641 k( 53) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0025641 k( 54) = ( 0.4568966 0.2637893 -0.0000000), wk = 0.0025641 k( 55) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0025641 k( 56) = ( 0.4741379 0.2737437 -0.0000000), wk = 0.0025641 k( 57) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0025641 k( 58) = ( 0.4913793 0.2836980 -0.0000000), wk = 0.0025641 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025641 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025641 k( 61) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0025641 k( 62) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0025641 k( 63) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0025641 k( 64) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0025641 k( 65) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0025641 k( 66) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0025641 k( 67) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0025641 k( 68) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0025641 k( 69) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0025641 k( 70) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0025641 k( 71) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0025641 k( 72) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0025641 k( 73) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0025641 k( 74) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0025641 k( 75) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0025641 k( 76) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0025641 k( 77) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0025641 k( 78) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0025641 k( 79) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0025641 k( 80) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0025641 k( 81) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0025641 k( 82) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0025641 k( 83) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0025641 k( 84) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0025641 k( 85) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0025641 k( 86) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0025641 k( 87) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0025641 k( 88) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0025641 k( 89) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0025641 k( 90) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0025641 k( 91) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0025641 k( 92) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0025641 k( 93) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0025641 k( 94) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025641 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025641 k( 96) = ( 0.3283582 0.5687331 -0.0000000), wk = 0.0025641 k( 97) = ( 0.3233831 0.5601159 -0.0000000), wk = 0.0025641 k( 98) = ( 0.3184080 0.5514988 -0.0000000), wk = 0.0025641 k( 99) = ( 0.3134328 0.5428816 -0.0000000), wk = 0.0025641 k( 100) = ( 0.3084577 0.5342644 -0.0000000), wk = 0.0025641 k( 101) = ( 0.3034826 0.5256473 -0.0000000), wk = 0.0025641 k( 102) = ( 0.2985075 0.5170301 -0.0000000), wk = 0.0025641 k( 103) = ( 0.2935323 0.5084129 -0.0000000), wk = 0.0025641 k( 104) = ( 0.2885572 0.4997957 -0.0000000), wk = 0.0025641 k( 105) = ( 0.2835821 0.4911786 -0.0000000), wk = 0.0025641 k( 106) = ( 0.2786070 0.4825614 -0.0000000), wk = 0.0025641 k( 107) = ( 0.2736318 0.4739442 -0.0000000), wk = 0.0025641 k( 108) = ( 0.2686567 0.4653271 -0.0000000), wk = 0.0025641 k( 109) = ( 0.2636816 0.4567099 -0.0000000), wk = 0.0025641 k( 110) = ( 0.2587065 0.4480928 -0.0000000), wk = 0.0025641 k( 111) = ( 0.2537313 0.4394756 -0.0000000), wk = 0.0025641 k( 112) = ( 0.2487562 0.4308584 -0.0000000), wk = 0.0025641 k( 113) = ( 0.2437811 0.4222412 -0.0000000), wk = 0.0025641 k( 114) = ( 0.2388060 0.4136241 -0.0000000), wk = 0.0025641 k( 115) = ( 0.2338309 0.4050069 -0.0000000), wk = 0.0025641 k( 116) = ( 0.2288557 0.3963897 -0.0000000), wk = 0.0025641 k( 117) = ( 0.2238806 0.3877726 -0.0000000), wk = 0.0025641 k( 118) = ( 0.2189055 0.3791554 -0.0000000), wk = 0.0025641 k( 119) = ( 0.2139303 0.3705382 -0.0000000), wk = 0.0025641 k( 120) = ( 0.2089552 0.3619211 -0.0000000), wk = 0.0025641 k( 121) = ( 0.2039801 0.3533039 -0.0000000), wk = 0.0025641 k( 122) = ( 0.1990050 0.3446867 -0.0000000), wk = 0.0025641 k( 123) = ( 0.1940299 0.3360696 -0.0000000), wk = 0.0025641 k( 124) = ( 0.1890547 0.3274524 -0.0000000), wk = 0.0025641 k( 125) = ( 0.1840796 0.3188352 -0.0000000), wk = 0.0025641 k( 126) = ( 0.1791045 0.3102181 -0.0000000), wk = 0.0025641 k( 127) = ( 0.1741293 0.3016009 -0.0000000), wk = 0.0025641 k( 128) = ( 0.1691542 0.2929837 -0.0000000), wk = 0.0025641 k( 129) = ( 0.1641791 0.2843665 -0.0000000), wk = 0.0025641 k( 130) = ( 0.1592040 0.2757494 -0.0000000), wk = 0.0025641 k( 131) = ( 0.1542289 0.2671322 -0.0000000), wk = 0.0025641 k( 132) = ( 0.1492537 0.2585150 -0.0000000), wk = 0.0025641 k( 133) = ( 0.1442786 0.2498979 -0.0000000), wk = 0.0025641 k( 134) = ( 0.1393035 0.2412807 -0.0000000), wk = 0.0025641 k( 135) = ( 0.1343284 0.2326635 -0.0000000), wk = 0.0025641 k( 136) = ( 0.1293532 0.2240464 -0.0000000), wk = 0.0025641 k( 137) = ( 0.1243781 0.2154292 -0.0000000), wk = 0.0025641 k( 138) = ( 0.1194030 0.2068120 -0.0000000), wk = 0.0025641 k( 139) = ( 0.1144279 0.1981949 -0.0000000), wk = 0.0025641 k( 140) = ( 0.1094527 0.1895777 -0.0000000), wk = 0.0025641 k( 141) = ( 0.1044776 0.1809605 -0.0000000), wk = 0.0025641 k( 142) = ( 0.0995025 0.1723434 -0.0000000), wk = 0.0025641 k( 143) = ( 0.0945274 0.1637262 -0.0000000), wk = 0.0025641 k( 144) = ( 0.0895522 0.1551090 -0.0000000), wk = 0.0025641 k( 145) = ( 0.0845771 0.1464919 -0.0000000), wk = 0.0025641 k( 146) = ( 0.0796020 0.1378747 -0.0000000), wk = 0.0025641 k( 147) = ( 0.0746269 0.1292575 -0.0000000), wk = 0.0025641 k( 148) = ( 0.0696517 0.1206404 -0.0000000), wk = 0.0025641 k( 149) = ( 0.0646766 0.1120232 -0.0000000), wk = 0.0025641 k( 150) = ( 0.0597015 0.1034060 -0.0000000), wk = 0.0025641 k( 151) = ( 0.0547264 0.0947889 -0.0000000), wk = 0.0025641 k( 152) = ( 0.0497512 0.0861717 -0.0000000), wk = 0.0025641 k( 153) = ( 0.0447761 0.0775545 -0.0000000), wk = 0.0025641 k( 154) = ( 0.0398010 0.0689374 -0.0000000), wk = 0.0025641 k( 155) = ( 0.0348259 0.0603202 -0.0000000), wk = 0.0025641 k( 156) = ( 0.0298507 0.0517030 -0.0000000), wk = 0.0025641 k( 157) = ( 0.0248756 0.0430858 -0.0000000), wk = 0.0025641 k( 158) = ( 0.0199005 0.0344687 -0.0000000), wk = 0.0025641 k( 159) = ( 0.0149254 0.0258515 -0.0000000), wk = 0.0025641 k( 160) = ( 0.0099503 0.0172343 -0.0000000), wk = 0.0025641 k( 161) = ( 0.0049751 0.0086172 -0.0000000), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.0097353), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.0194707), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.0292060), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.0389414), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.0486767), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.0584121), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.0681474), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.0778828), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.0876181), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.0973535), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.1070888), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.1168242), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.1265595), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.1362949), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.1460302), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.1557655), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.1655009), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.1752362), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.1849716), wk = 0.0025641 k( 183) = ( 0.0000000 0.0000000 0.1947069), wk = 0.0025641 k( 184) = ( 0.0000000 0.0000000 0.2044423), wk = 0.0025641 k( 185) = ( 0.0000000 0.0000000 0.2044423), wk = 0.0025641 k( 186) = ( 0.0086207 0.0049772 0.2044423), wk = 0.0025641 k( 187) = ( 0.0172414 0.0099543 0.2044423), wk = 0.0025641 k( 188) = ( 0.0258621 0.0149315 0.2044423), wk = 0.0025641 k( 189) = ( 0.0344828 0.0199086 0.2044423), wk = 0.0025641 k( 190) = ( 0.0431035 0.0248858 0.2044423), wk = 0.0025641 k( 191) = ( 0.0517241 0.0298629 0.2044423), wk = 0.0025641 k( 192) = ( 0.0603448 0.0348401 0.2044423), wk = 0.0025641 k( 193) = ( 0.0689655 0.0398173 0.2044423), wk = 0.0025641 k( 194) = ( 0.0775862 0.0447944 0.2044423), wk = 0.0025641 k( 195) = ( 0.0862069 0.0497716 0.2044423), wk = 0.0025641 k( 196) = ( 0.0948276 0.0547487 0.2044423), wk = 0.0025641 k( 197) = ( 0.1034483 0.0597259 0.2044423), wk = 0.0025641 k( 198) = ( 0.1120690 0.0647030 0.2044423), wk = 0.0025641 k( 199) = ( 0.1206897 0.0696802 0.2044423), wk = 0.0025641 k( 200) = ( 0.1293103 0.0746574 0.2044423), wk = 0.0025641 k( 201) = ( 0.1379310 0.0796345 0.2044423), wk = 0.0025641 k( 202) = ( 0.1465517 0.0846117 0.2044423), wk = 0.0025641 k( 203) = ( 0.1551724 0.0895888 0.2044423), wk = 0.0025641 k( 204) = ( 0.1637931 0.0945660 0.2044423), wk = 0.0025641 k( 205) = ( 0.1724138 0.0995431 0.2044423), wk = 0.0025641 k( 206) = ( 0.1810345 0.1045203 0.2044423), wk = 0.0025641 k( 207) = ( 0.1896552 0.1094975 0.2044423), wk = 0.0025641 k( 208) = ( 0.1982759 0.1144746 0.2044423), wk = 0.0025641 k( 209) = ( 0.2068966 0.1194518 0.2044423), wk = 0.0025641 k( 210) = ( 0.2155172 0.1244289 0.2044423), wk = 0.0025641 k( 211) = ( 0.2241379 0.1294061 0.2044423), wk = 0.0025641 k( 212) = ( 0.2327586 0.1343833 0.2044423), wk = 0.0025641 k( 213) = ( 0.2413793 0.1393604 0.2044423), wk = 0.0025641 k( 214) = ( 0.2500000 0.1443376 0.2044423), wk = 0.0025641 k( 215) = ( 0.2586207 0.1493147 0.2044423), wk = 0.0025641 k( 216) = ( 0.2672414 0.1542919 0.2044423), wk = 0.0025641 k( 217) = ( 0.2758621 0.1592690 0.2044423), wk = 0.0025641 k( 218) = ( 0.2844828 0.1642462 0.2044423), wk = 0.0025641 k( 219) = ( 0.2931034 0.1692234 0.2044423), wk = 0.0025641 k( 220) = ( 0.3017241 0.1742005 0.2044423), wk = 0.0025641 k( 221) = ( 0.3103448 0.1791777 0.2044423), wk = 0.0025641 k( 222) = ( 0.3189655 0.1841548 0.2044423), wk = 0.0025641 k( 223) = ( 0.3275862 0.1891320 0.2044423), wk = 0.0025641 k( 224) = ( 0.3362069 0.1941091 0.2044423), wk = 0.0025641 k( 225) = ( 0.3448276 0.1990863 0.2044423), wk = 0.0025641 k( 226) = ( 0.3534483 0.2040635 0.2044423), wk = 0.0025641 k( 227) = ( 0.3620690 0.2090406 0.2044423), wk = 0.0025641 k( 228) = ( 0.3706897 0.2140178 0.2044423), wk = 0.0025641 k( 229) = ( 0.3793103 0.2189949 0.2044423), wk = 0.0025641 k( 230) = ( 0.3879310 0.2239721 0.2044423), wk = 0.0025641 k( 231) = ( 0.3965517 0.2289492 0.2044423), wk = 0.0025641 k( 232) = ( 0.4051724 0.2339264 0.2044423), wk = 0.0025641 k( 233) = ( 0.4137931 0.2389036 0.2044423), wk = 0.0025641 k( 234) = ( 0.4224138 0.2438807 0.2044423), wk = 0.0025641 k( 235) = ( 0.4310345 0.2488579 0.2044423), wk = 0.0025641 k( 236) = ( 0.4396552 0.2538350 0.2044423), wk = 0.0025641 k( 237) = ( 0.4482759 0.2588122 0.2044423), wk = 0.0025641 k( 238) = ( 0.4568966 0.2637893 0.2044423), wk = 0.0025641 k( 239) = ( 0.4655172 0.2687665 0.2044423), wk = 0.0025641 k( 240) = ( 0.4741379 0.2737437 0.2044423), wk = 0.0025641 k( 241) = ( 0.4827586 0.2787208 0.2044423), wk = 0.0025641 k( 242) = ( 0.4913793 0.2836980 0.2044423), wk = 0.0025641 k( 243) = ( 0.5000000 0.2886751 0.2044423), wk = 0.0025641 k( 244) = ( 0.5000000 0.2886751 0.2044423), wk = 0.0025641 k( 245) = ( 0.4950980 0.2971656 0.2044423), wk = 0.0025641 k( 246) = ( 0.4901961 0.3056560 0.2044423), wk = 0.0025641 k( 247) = ( 0.4852941 0.3141465 0.2044423), wk = 0.0025641 k( 248) = ( 0.4803922 0.3226369 0.2044423), wk = 0.0025641 k( 249) = ( 0.4754902 0.3311274 0.2044423), wk = 0.0025641 k( 250) = ( 0.4705882 0.3396178 0.2044423), wk = 0.0025641 k( 251) = ( 0.4656863 0.3481082 0.2044423), wk = 0.0025641 k( 252) = ( 0.4607843 0.3565987 0.2044423), wk = 0.0025641 k( 253) = ( 0.4558823 0.3650891 0.2044423), wk = 0.0025641 k( 254) = ( 0.4509804 0.3735796 0.2044423), wk = 0.0025641 k( 255) = ( 0.4460784 0.3820700 0.2044423), wk = 0.0025641 k( 256) = ( 0.4411765 0.3905605 0.2044423), wk = 0.0025641 k( 257) = ( 0.4362745 0.3990509 0.2044423), wk = 0.0025641 k( 258) = ( 0.4313726 0.4075414 0.2044423), wk = 0.0025641 k( 259) = ( 0.4264706 0.4160318 0.2044423), wk = 0.0025641 k( 260) = ( 0.4215686 0.4245223 0.2044423), wk = 0.0025641 k( 261) = ( 0.4166667 0.4330127 0.2044423), wk = 0.0025641 k( 262) = ( 0.4117647 0.4415032 0.2044423), wk = 0.0025641 k( 263) = ( 0.4068627 0.4499936 0.2044423), wk = 0.0025641 k( 264) = ( 0.4019608 0.4584840 0.2044423), wk = 0.0025641 k( 265) = ( 0.3970588 0.4669745 0.2044423), wk = 0.0025641 k( 266) = ( 0.3921569 0.4754649 0.2044423), wk = 0.0025641 k( 267) = ( 0.3872549 0.4839554 0.2044423), wk = 0.0025641 k( 268) = ( 0.3823529 0.4924458 0.2044423), wk = 0.0025641 k( 269) = ( 0.3774510 0.5009363 0.2044423), wk = 0.0025641 k( 270) = ( 0.3725490 0.5094267 0.2044423), wk = 0.0025641 k( 271) = ( 0.3676471 0.5179172 0.2044423), wk = 0.0025641 k( 272) = ( 0.3627451 0.5264076 0.2044423), wk = 0.0025641 k( 273) = ( 0.3578431 0.5348981 0.2044423), wk = 0.0025641 k( 274) = ( 0.3529412 0.5433885 0.2044423), wk = 0.0025641 k( 275) = ( 0.3480392 0.5518789 0.2044423), wk = 0.0025641 k( 276) = ( 0.3431373 0.5603694 0.2044423), wk = 0.0025641 k( 277) = ( 0.3382353 0.5688598 0.2044423), wk = 0.0025641 k( 278) = ( 0.3333333 0.5773503 0.2044423), wk = 0.0025641 k( 279) = ( 0.3333333 0.5773503 0.2044423), wk = 0.0025641 k( 280) = ( 0.3283582 0.5687331 0.2044423), wk = 0.0025641 k( 281) = ( 0.3233831 0.5601159 0.2044423), wk = 0.0025641 k( 282) = ( 0.3184080 0.5514988 0.2044423), wk = 0.0025641 k( 283) = ( 0.3134328 0.5428816 0.2044423), wk = 0.0025641 k( 284) = ( 0.3084577 0.5342644 0.2044423), wk = 0.0025641 k( 285) = ( 0.3034826 0.5256473 0.2044423), wk = 0.0025641 k( 286) = ( 0.2985075 0.5170301 0.2044423), wk = 0.0025641 k( 287) = ( 0.2935323 0.5084129 0.2044423), wk = 0.0025641 k( 288) = ( 0.2885572 0.4997957 0.2044423), wk = 0.0025641 k( 289) = ( 0.2835821 0.4911786 0.2044423), wk = 0.0025641 k( 290) = ( 0.2786070 0.4825614 0.2044423), wk = 0.0025641 k( 291) = ( 0.2736318 0.4739442 0.2044423), wk = 0.0025641 k( 292) = ( 0.2686567 0.4653271 0.2044423), wk = 0.0025641 k( 293) = ( 0.2636816 0.4567099 0.2044423), wk = 0.0025641 k( 294) = ( 0.2587065 0.4480928 0.2044423), wk = 0.0025641 k( 295) = ( 0.2537313 0.4394756 0.2044423), wk = 0.0025641 k( 296) = ( 0.2487562 0.4308584 0.2044423), wk = 0.0025641 k( 297) = ( 0.2437811 0.4222412 0.2044423), wk = 0.0025641 k( 298) = ( 0.2388060 0.4136241 0.2044423), wk = 0.0025641 k( 299) = ( 0.2338309 0.4050069 0.2044423), wk = 0.0025641 k( 300) = ( 0.2288557 0.3963897 0.2044423), wk = 0.0025641 k( 301) = ( 0.2238806 0.3877726 0.2044423), wk = 0.0025641 k( 302) = ( 0.2189055 0.3791554 0.2044423), wk = 0.0025641 k( 303) = ( 0.2139303 0.3705382 0.2044423), wk = 0.0025641 k( 304) = ( 0.2089552 0.3619211 0.2044423), wk = 0.0025641 k( 305) = ( 0.2039801 0.3533039 0.2044423), wk = 0.0025641 k( 306) = ( 0.1990050 0.3446867 0.2044423), wk = 0.0025641 k( 307) = ( 0.1940299 0.3360696 0.2044423), wk = 0.0025641 k( 308) = ( 0.1890547 0.3274524 0.2044423), wk = 0.0025641 k( 309) = ( 0.1840796 0.3188352 0.2044423), wk = 0.0025641 k( 310) = ( 0.1791045 0.3102181 0.2044423), wk = 0.0025641 k( 311) = ( 0.1741293 0.3016009 0.2044423), wk = 0.0025641 k( 312) = ( 0.1691542 0.2929837 0.2044423), wk = 0.0025641 k( 313) = ( 0.1641791 0.2843665 0.2044423), wk = 0.0025641 k( 314) = ( 0.1592040 0.2757494 0.2044423), wk = 0.0025641 k( 315) = ( 0.1542289 0.2671322 0.2044423), wk = 0.0025641 k( 316) = ( 0.1492537 0.2585150 0.2044423), wk = 0.0025641 k( 317) = ( 0.1442786 0.2498979 0.2044423), wk = 0.0025641 k( 318) = ( 0.1393035 0.2412807 0.2044423), wk = 0.0025641 k( 319) = ( 0.1343284 0.2326635 0.2044423), wk = 0.0025641 k( 320) = ( 0.1293532 0.2240464 0.2044423), wk = 0.0025641 k( 321) = ( 0.1243781 0.2154292 0.2044423), wk = 0.0025641 k( 322) = ( 0.1194030 0.2068120 0.2044423), wk = 0.0025641 k( 323) = ( 0.1144279 0.1981949 0.2044423), wk = 0.0025641 k( 324) = ( 0.1094527 0.1895777 0.2044423), wk = 0.0025641 k( 325) = ( 0.1044776 0.1809605 0.2044423), wk = 0.0025641 k( 326) = ( 0.0995025 0.1723434 0.2044423), wk = 0.0025641 k( 327) = ( 0.0945274 0.1637262 0.2044423), wk = 0.0025641 k( 328) = ( 0.0895522 0.1551090 0.2044423), wk = 0.0025641 k( 329) = ( 0.0845771 0.1464919 0.2044423), wk = 0.0025641 k( 330) = ( 0.0796020 0.1378747 0.2044423), wk = 0.0025641 k( 331) = ( 0.0746269 0.1292575 0.2044423), wk = 0.0025641 k( 332) = ( 0.0696517 0.1206404 0.2044423), wk = 0.0025641 k( 333) = ( 0.0646766 0.1120232 0.2044423), wk = 0.0025641 k( 334) = ( 0.0597015 0.1034060 0.2044423), wk = 0.0025641 k( 335) = ( 0.0547264 0.0947889 0.2044423), wk = 0.0025641 k( 336) = ( 0.0497512 0.0861717 0.2044423), wk = 0.0025641 k( 337) = ( 0.0447761 0.0775545 0.2044423), wk = 0.0025641 k( 338) = ( 0.0398010 0.0689374 0.2044423), wk = 0.0025641 k( 339) = ( 0.0348259 0.0603202 0.2044423), wk = 0.0025641 k( 340) = ( 0.0298507 0.0517030 0.2044423), wk = 0.0025641 k( 341) = ( 0.0248756 0.0430858 0.2044423), wk = 0.0025641 k( 342) = ( 0.0199005 0.0344687 0.2044423), wk = 0.0025641 k( 343) = ( 0.0149254 0.0258515 0.2044423), wk = 0.0025641 k( 344) = ( 0.0099503 0.0172343 0.2044423), wk = 0.0025641 k( 345) = ( 0.0049751 0.0086172 0.2044423), wk = 0.0025641 k( 346) = ( 0.0000000 0.0000000 0.2044423), wk = 0.0025641 k( 347) = ( 0.5000000 0.2886751 0.2044423), wk = 0.0025641 k( 348) = ( 0.5000000 0.2886751 0.1947069), wk = 0.0025641 k( 349) = ( 0.5000000 0.2886751 0.1849716), wk = 0.0025641 k( 350) = ( 0.5000000 0.2886751 0.1752362), wk = 0.0025641 k( 351) = ( 0.5000000 0.2886751 0.1655009), wk = 0.0025641 k( 352) = ( 0.5000000 0.2886751 0.1557655), wk = 0.0025641 k( 353) = ( 0.5000000 0.2886751 0.1460302), wk = 0.0025641 k( 354) = ( 0.5000000 0.2886751 0.1362949), wk = 0.0025641 k( 355) = ( 0.5000000 0.2886751 0.1265595), wk = 0.0025641 k( 356) = ( 0.5000000 0.2886751 0.1168242), wk = 0.0025641 k( 357) = ( 0.5000000 0.2886751 0.1070888), wk = 0.0025641 k( 358) = ( 0.5000000 0.2886751 0.0973535), wk = 0.0025641 k( 359) = ( 0.5000000 0.2886751 0.0876181), wk = 0.0025641 k( 360) = ( 0.5000000 0.2886751 0.0778828), wk = 0.0025641 k( 361) = ( 0.5000000 0.2886751 0.0681474), wk = 0.0025641 k( 362) = ( 0.5000000 0.2886751 0.0584121), wk = 0.0025641 k( 363) = ( 0.5000000 0.2886751 0.0486767), wk = 0.0025641 k( 364) = ( 0.5000000 0.2886751 0.0389414), wk = 0.0025641 k( 365) = ( 0.5000000 0.2886751 0.0292060), wk = 0.0025641 k( 366) = ( 0.5000000 0.2886751 0.0194707), wk = 0.0025641 k( 367) = ( 0.5000000 0.2886751 0.0097353), wk = 0.0025641 k( 368) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025641 k( 369) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025641 k( 370) = ( 0.3333333 0.5773503 0.0097353), wk = 0.0025641 k( 371) = ( 0.3333333 0.5773503 0.0194707), wk = 0.0025641 k( 372) = ( 0.3333333 0.5773503 0.0292060), wk = 0.0025641 k( 373) = ( 0.3333333 0.5773503 0.0389414), wk = 0.0025641 k( 374) = ( 0.3333333 0.5773503 0.0486767), wk = 0.0025641 k( 375) = ( 0.3333333 0.5773503 0.0584121), wk = 0.0025641 k( 376) = ( 0.3333333 0.5773503 0.0681474), wk = 0.0025641 k( 377) = ( 0.3333333 0.5773503 0.0778828), wk = 0.0025641 k( 378) = ( 0.3333333 0.5773503 0.0876181), wk = 0.0025641 k( 379) = ( 0.3333333 0.5773503 0.0973535), wk = 0.0025641 k( 380) = ( 0.3333333 0.5773503 0.1070888), wk = 0.0025641 k( 381) = ( 0.3333333 0.5773503 0.1168242), wk = 0.0025641 k( 382) = ( 0.3333333 0.5773503 0.1265595), wk = 0.0025641 k( 383) = ( 0.3333333 0.5773503 0.1362949), wk = 0.0025641 k( 384) = ( 0.3333333 0.5773503 0.1460302), wk = 0.0025641 k( 385) = ( 0.3333333 0.5773503 0.1557655), wk = 0.0025641 k( 386) = ( 0.3333333 0.5773503 0.1655009), wk = 0.0025641 k( 387) = ( 0.3333333 0.5773503 0.1752362), wk = 0.0025641 k( 388) = ( 0.3333333 0.5773503 0.1849716), wk = 0.0025641 k( 389) = ( 0.3333333 0.5773503 0.1947069), wk = 0.0025641 k( 390) = ( 0.3333333 0.5773503 0.2044423), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0086207 0.0000000 0.0000000), wk = 0.0025641 k( 3) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0025641 k( 4) = ( 0.0258621 0.0000000 0.0000000), wk = 0.0025641 k( 5) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0025641 k( 6) = ( 0.0431035 0.0000000 -0.0000000), wk = 0.0025641 k( 7) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0025641 k( 8) = ( 0.0603448 0.0000000 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0025641 k( 10) = ( 0.0775862 0.0000000 0.0000000), wk = 0.0025641 k( 11) = ( 0.0862069 0.0000000 -0.0000000), wk = 0.0025641 k( 12) = ( 0.0948276 0.0000000 0.0000000), wk = 0.0025641 k( 13) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0025641 k( 14) = ( 0.1120690 0.0000000 0.0000000), wk = 0.0025641 k( 15) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0025641 k( 16) = ( 0.1293103 0.0000000 0.0000000), wk = 0.0025641 k( 17) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0025641 k( 18) = ( 0.1465517 0.0000000 0.0000000), wk = 0.0025641 k( 19) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0025641 k( 20) = ( 0.1637931 0.0000000 -0.0000000), wk = 0.0025641 k( 21) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0025641 k( 22) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0025641 k( 23) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0025641 k( 24) = ( 0.1982759 0.0000000 0.0000000), wk = 0.0025641 k( 25) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0025641 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0025641 k( 27) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0025641 k( 28) = ( 0.2327586 0.0000000 0.0000000), wk = 0.0025641 k( 29) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0025641 k( 30) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025641 k( 31) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0025641 k( 32) = ( 0.2672414 0.0000000 0.0000000), wk = 0.0025641 k( 33) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0025641 k( 34) = ( 0.2844828 0.0000000 0.0000000), wk = 0.0025641 k( 35) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0025641 k( 36) = ( 0.3017241 0.0000000 0.0000000), wk = 0.0025641 k( 37) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0025641 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0025641 k( 39) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0025641 k( 40) = ( 0.3362069 0.0000000 0.0000000), wk = 0.0025641 k( 41) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0025641 k( 42) = ( 0.3534483 0.0000000 0.0000000), wk = 0.0025641 k( 43) = ( 0.3620690 0.0000000 0.0000000), wk = 0.0025641 k( 44) = ( 0.3706897 0.0000000 -0.0000000), wk = 0.0025641 k( 45) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0025641 k( 46) = ( 0.3879310 0.0000000 0.0000000), wk = 0.0025641 k( 47) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0025641 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0025641 k( 49) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0025641 k( 50) = ( 0.4224138 0.0000000 0.0000000), wk = 0.0025641 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0025641 k( 52) = ( 0.4396552 0.0000000 0.0000000), wk = 0.0025641 k( 53) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0025641 k( 54) = ( 0.4568966 0.0000000 0.0000000), wk = 0.0025641 k( 55) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0025641 k( 56) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0025641 k( 57) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0025641 k( 58) = ( 0.4913793 0.0000000 0.0000000), wk = 0.0025641 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025641 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025641 k( 61) = ( 0.4950980 0.0098039 0.0000000), wk = 0.0025641 k( 62) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0025641 k( 63) = ( 0.4852941 0.0294118 0.0000000), wk = 0.0025641 k( 64) = ( 0.4803922 0.0392157 0.0000000), wk = 0.0025641 k( 65) = ( 0.4754902 0.0490196 0.0000000), wk = 0.0025641 k( 66) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0025641 k( 67) = ( 0.4656863 0.0686275 0.0000000), wk = 0.0025641 k( 68) = ( 0.4607843 0.0784314 0.0000000), wk = 0.0025641 k( 69) = ( 0.4558823 0.0882353 0.0000000), wk = 0.0025641 k( 70) = ( 0.4509804 0.0980392 0.0000000), wk = 0.0025641 k( 71) = ( 0.4460784 0.1078431 0.0000000), wk = 0.0025641 k( 72) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0025641 k( 73) = ( 0.4362745 0.1274510 0.0000000), wk = 0.0025641 k( 74) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0025641 k( 75) = ( 0.4264706 0.1470588 0.0000000), wk = 0.0025641 k( 76) = ( 0.4215686 0.1568628 0.0000000), wk = 0.0025641 k( 77) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0025641 k( 78) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0025641 k( 79) = ( 0.4068627 0.1862745 0.0000000), wk = 0.0025641 k( 80) = ( 0.4019608 0.1960784 0.0000000), wk = 0.0025641 k( 81) = ( 0.3970588 0.2058823 0.0000000), wk = 0.0025641 k( 82) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0025641 k( 83) = ( 0.3872549 0.2254902 0.0000000), wk = 0.0025641 k( 84) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0025641 k( 85) = ( 0.3774510 0.2450980 0.0000000), wk = 0.0025641 k( 86) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0025641 k( 87) = ( 0.3676471 0.2647059 0.0000000), wk = 0.0025641 k( 88) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0025641 k( 89) = ( 0.3578431 0.2843137 0.0000000), wk = 0.0025641 k( 90) = ( 0.3529412 0.2941177 0.0000000), wk = 0.0025641 k( 91) = ( 0.3480392 0.3039216 0.0000000), wk = 0.0025641 k( 92) = ( 0.3431373 0.3137255 0.0000000), wk = 0.0025641 k( 93) = ( 0.3382353 0.3235294 -0.0000000), wk = 0.0025641 k( 94) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025641 k( 95) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025641 k( 96) = ( 0.3283582 0.3283582 0.0000000), wk = 0.0025641 k( 97) = ( 0.3233831 0.3233831 0.0000000), wk = 0.0025641 k( 98) = ( 0.3184080 0.3184080 0.0000000), wk = 0.0025641 k( 99) = ( 0.3134328 0.3134328 0.0000000), wk = 0.0025641 k( 100) = ( 0.3084577 0.3084577 0.0000000), wk = 0.0025641 k( 101) = ( 0.3034826 0.3034826 0.0000000), wk = 0.0025641 k( 102) = ( 0.2985075 0.2985075 0.0000000), wk = 0.0025641 k( 103) = ( 0.2935323 0.2935323 0.0000000), wk = 0.0025641 k( 104) = ( 0.2885572 0.2885572 0.0000000), wk = 0.0025641 k( 105) = ( 0.2835821 0.2835821 0.0000000), wk = 0.0025641 k( 106) = ( 0.2786070 0.2786070 0.0000000), wk = 0.0025641 k( 107) = ( 0.2736318 0.2736318 -0.0000000), wk = 0.0025641 k( 108) = ( 0.2686567 0.2686567 0.0000000), wk = 0.0025641 k( 109) = ( 0.2636816 0.2636816 0.0000000), wk = 0.0025641 k( 110) = ( 0.2587065 0.2587065 0.0000000), wk = 0.0025641 k( 111) = ( 0.2537313 0.2537313 0.0000000), wk = 0.0025641 k( 112) = ( 0.2487562 0.2487562 0.0000000), wk = 0.0025641 k( 113) = ( 0.2437811 0.2437811 0.0000000), wk = 0.0025641 k( 114) = ( 0.2388060 0.2388060 0.0000000), wk = 0.0025641 k( 115) = ( 0.2338309 0.2338308 0.0000000), wk = 0.0025641 k( 116) = ( 0.2288557 0.2288557 0.0000000), wk = 0.0025641 k( 117) = ( 0.2238806 0.2238806 0.0000000), wk = 0.0025641 k( 118) = ( 0.2189055 0.2189055 0.0000000), wk = 0.0025641 k( 119) = ( 0.2139303 0.2139303 0.0000000), wk = 0.0025641 k( 120) = ( 0.2089552 0.2089552 0.0000000), wk = 0.0025641 k( 121) = ( 0.2039801 0.2039801 0.0000000), wk = 0.0025641 k( 122) = ( 0.1990050 0.1990050 0.0000000), wk = 0.0025641 k( 123) = ( 0.1940299 0.1940299 0.0000000), wk = 0.0025641 k( 124) = ( 0.1890547 0.1890547 0.0000000), wk = 0.0025641 k( 125) = ( 0.1840796 0.1840796 0.0000000), wk = 0.0025641 k( 126) = ( 0.1791045 0.1791045 0.0000000), wk = 0.0025641 k( 127) = ( 0.1741293 0.1741294 0.0000000), wk = 0.0025641 k( 128) = ( 0.1691542 0.1691542 0.0000000), wk = 0.0025641 k( 129) = ( 0.1641791 0.1641791 0.0000000), wk = 0.0025641 k( 130) = ( 0.1592040 0.1592040 0.0000000), wk = 0.0025641 k( 131) = ( 0.1542289 0.1542289 -0.0000000), wk = 0.0025641 k( 132) = ( 0.1492537 0.1492537 0.0000000), wk = 0.0025641 k( 133) = ( 0.1442786 0.1442786 0.0000000), wk = 0.0025641 k( 134) = ( 0.1393035 0.1393035 0.0000000), wk = 0.0025641 k( 135) = ( 0.1343284 0.1343284 0.0000000), wk = 0.0025641 k( 136) = ( 0.1293532 0.1293532 0.0000000), wk = 0.0025641 k( 137) = ( 0.1243781 0.1243781 0.0000000), wk = 0.0025641 k( 138) = ( 0.1194030 0.1194030 0.0000000), wk = 0.0025641 k( 139) = ( 0.1144279 0.1144279 0.0000000), wk = 0.0025641 k( 140) = ( 0.1094527 0.1094527 0.0000000), wk = 0.0025641 k( 141) = ( 0.1044776 0.1044776 0.0000000), wk = 0.0025641 k( 142) = ( 0.0995025 0.0995025 0.0000000), wk = 0.0025641 k( 143) = ( 0.0945274 0.0945274 0.0000000), wk = 0.0025641 k( 144) = ( 0.0895522 0.0895522 0.0000000), wk = 0.0025641 k( 145) = ( 0.0845771 0.0845771 0.0000000), wk = 0.0025641 k( 146) = ( 0.0796020 0.0796020 0.0000000), wk = 0.0025641 k( 147) = ( 0.0746269 0.0746269 0.0000000), wk = 0.0025641 k( 148) = ( 0.0696517 0.0696517 0.0000000), wk = 0.0025641 k( 149) = ( 0.0646766 0.0646766 0.0000000), wk = 0.0025641 k( 150) = ( 0.0597015 0.0597015 0.0000000), wk = 0.0025641 k( 151) = ( 0.0547264 0.0547264 0.0000000), wk = 0.0025641 k( 152) = ( 0.0497512 0.0497512 0.0000000), wk = 0.0025641 k( 153) = ( 0.0447761 0.0447761 0.0000000), wk = 0.0025641 k( 154) = ( 0.0398010 0.0398010 0.0000000), wk = 0.0025641 k( 155) = ( 0.0348259 0.0348259 0.0000000), wk = 0.0025641 k( 156) = ( 0.0298507 0.0298508 0.0000000), wk = 0.0025641 k( 157) = ( 0.0248756 0.0248756 0.0000000), wk = 0.0025641 k( 158) = ( 0.0199005 0.0199005 0.0000000), wk = 0.0025641 k( 159) = ( 0.0149254 0.0149254 0.0000000), wk = 0.0025641 k( 160) = ( 0.0099503 0.0099503 0.0000000), wk = 0.0025641 k( 161) = ( 0.0049751 0.0049751 0.0000000), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0025641 k( 183) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0025641 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 186) = ( 0.0086207 0.0000000 0.5000000), wk = 0.0025641 k( 187) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0025641 k( 188) = ( 0.0258621 0.0000000 0.5000000), wk = 0.0025641 k( 189) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0025641 k( 190) = ( 0.0431035 0.0000000 0.5000000), wk = 0.0025641 k( 191) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0025641 k( 192) = ( 0.0603448 0.0000000 0.5000000), wk = 0.0025641 k( 193) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0025641 k( 194) = ( 0.0775862 0.0000000 0.5000000), wk = 0.0025641 k( 195) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0025641 k( 196) = ( 0.0948276 0.0000000 0.5000000), wk = 0.0025641 k( 197) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0025641 k( 198) = ( 0.1120690 0.0000000 0.5000000), wk = 0.0025641 k( 199) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0025641 k( 200) = ( 0.1293103 0.0000000 0.5000000), wk = 0.0025641 k( 201) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0025641 k( 202) = ( 0.1465517 0.0000000 0.5000000), wk = 0.0025641 k( 203) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0025641 k( 204) = ( 0.1637931 0.0000000 0.5000000), wk = 0.0025641 k( 205) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0025641 k( 206) = ( 0.1810345 0.0000000 0.5000000), wk = 0.0025641 k( 207) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0025641 k( 208) = ( 0.1982759 0.0000000 0.5000000), wk = 0.0025641 k( 209) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0025641 k( 210) = ( 0.2155172 0.0000000 0.5000000), wk = 0.0025641 k( 211) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0025641 k( 212) = ( 0.2327586 0.0000000 0.5000000), wk = 0.0025641 k( 213) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0025641 k( 214) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025641 k( 215) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0025641 k( 216) = ( 0.2672414 0.0000000 0.5000000), wk = 0.0025641 k( 217) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0025641 k( 218) = ( 0.2844828 0.0000000 0.5000000), wk = 0.0025641 k( 219) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0025641 k( 220) = ( 0.3017241 0.0000000 0.5000000), wk = 0.0025641 k( 221) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0025641 k( 222) = ( 0.3189655 0.0000000 0.5000000), wk = 0.0025641 k( 223) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0025641 k( 224) = ( 0.3362069 0.0000000 0.5000000), wk = 0.0025641 k( 225) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0025641 k( 226) = ( 0.3534483 0.0000000 0.5000000), wk = 0.0025641 k( 227) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0025641 k( 228) = ( 0.3706897 0.0000000 0.5000000), wk = 0.0025641 k( 229) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0025641 k( 230) = ( 0.3879310 0.0000000 0.5000000), wk = 0.0025641 k( 231) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0025641 k( 232) = ( 0.4051724 0.0000000 0.5000000), wk = 0.0025641 k( 233) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0025641 k( 234) = ( 0.4224138 0.0000000 0.5000000), wk = 0.0025641 k( 235) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0025641 k( 236) = ( 0.4396552 0.0000000 0.5000000), wk = 0.0025641 k( 237) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0025641 k( 238) = ( 0.4568966 0.0000000 0.5000000), wk = 0.0025641 k( 239) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0025641 k( 240) = ( 0.4741379 0.0000000 0.5000000), wk = 0.0025641 k( 241) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0025641 k( 242) = ( 0.4913793 0.0000000 0.5000000), wk = 0.0025641 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025641 k( 244) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025641 k( 245) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0025641 k( 246) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0025641 k( 247) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0025641 k( 248) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0025641 k( 249) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0025641 k( 250) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0025641 k( 251) = ( 0.4656863 0.0686275 0.5000000), wk = 0.0025641 k( 252) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0025641 k( 253) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0025641 k( 254) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0025641 k( 255) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0025641 k( 256) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0025641 k( 257) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0025641 k( 258) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0025641 k( 259) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0025641 k( 260) = ( 0.4215686 0.1568628 0.5000000), wk = 0.0025641 k( 261) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0025641 k( 262) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0025641 k( 263) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0025641 k( 264) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0025641 k( 265) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0025641 k( 266) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0025641 k( 267) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0025641 k( 268) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0025641 k( 269) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0025641 k( 270) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0025641 k( 271) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0025641 k( 272) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0025641 k( 273) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0025641 k( 274) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0025641 k( 275) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0025641 k( 276) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0025641 k( 277) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0025641 k( 278) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025641 k( 279) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025641 k( 280) = ( 0.3283582 0.3283582 0.5000000), wk = 0.0025641 k( 281) = ( 0.3233831 0.3233831 0.5000000), wk = 0.0025641 k( 282) = ( 0.3184080 0.3184080 0.5000000), wk = 0.0025641 k( 283) = ( 0.3134328 0.3134328 0.5000000), wk = 0.0025641 k( 284) = ( 0.3084577 0.3084577 0.5000000), wk = 0.0025641 k( 285) = ( 0.3034826 0.3034826 0.5000000), wk = 0.0025641 k( 286) = ( 0.2985075 0.2985075 0.5000000), wk = 0.0025641 k( 287) = ( 0.2935323 0.2935323 0.5000000), wk = 0.0025641 k( 288) = ( 0.2885572 0.2885572 0.5000000), wk = 0.0025641 k( 289) = ( 0.2835821 0.2835821 0.5000000), wk = 0.0025641 k( 290) = ( 0.2786070 0.2786070 0.5000000), wk = 0.0025641 k( 291) = ( 0.2736318 0.2736318 0.5000000), wk = 0.0025641 k( 292) = ( 0.2686567 0.2686567 0.5000000), wk = 0.0025641 k( 293) = ( 0.2636816 0.2636816 0.5000000), wk = 0.0025641 k( 294) = ( 0.2587065 0.2587065 0.5000000), wk = 0.0025641 k( 295) = ( 0.2537313 0.2537313 0.5000000), wk = 0.0025641 k( 296) = ( 0.2487562 0.2487562 0.5000000), wk = 0.0025641 k( 297) = ( 0.2437811 0.2437811 0.5000000), wk = 0.0025641 k( 298) = ( 0.2388060 0.2388060 0.5000000), wk = 0.0025641 k( 299) = ( 0.2338309 0.2338308 0.5000000), wk = 0.0025641 k( 300) = ( 0.2288557 0.2288557 0.5000000), wk = 0.0025641 k( 301) = ( 0.2238806 0.2238806 0.5000000), wk = 0.0025641 k( 302) = ( 0.2189055 0.2189055 0.5000000), wk = 0.0025641 k( 303) = ( 0.2139303 0.2139303 0.5000000), wk = 0.0025641 k( 304) = ( 0.2089552 0.2089552 0.5000000), wk = 0.0025641 k( 305) = ( 0.2039801 0.2039801 0.5000000), wk = 0.0025641 k( 306) = ( 0.1990050 0.1990050 0.5000000), wk = 0.0025641 k( 307) = ( 0.1940299 0.1940299 0.5000000), wk = 0.0025641 k( 308) = ( 0.1890547 0.1890547 0.5000000), wk = 0.0025641 k( 309) = ( 0.1840796 0.1840796 0.5000000), wk = 0.0025641 k( 310) = ( 0.1791045 0.1791045 0.5000000), wk = 0.0025641 k( 311) = ( 0.1741293 0.1741294 0.5000000), wk = 0.0025641 k( 312) = ( 0.1691542 0.1691542 0.5000000), wk = 0.0025641 k( 313) = ( 0.1641791 0.1641791 0.5000000), wk = 0.0025641 k( 314) = ( 0.1592040 0.1592040 0.5000000), wk = 0.0025641 k( 315) = ( 0.1542289 0.1542289 0.5000000), wk = 0.0025641 k( 316) = ( 0.1492537 0.1492537 0.5000000), wk = 0.0025641 k( 317) = ( 0.1442786 0.1442786 0.5000000), wk = 0.0025641 k( 318) = ( 0.1393035 0.1393035 0.5000000), wk = 0.0025641 k( 319) = ( 0.1343284 0.1343284 0.5000000), wk = 0.0025641 k( 320) = ( 0.1293532 0.1293532 0.5000000), wk = 0.0025641 k( 321) = ( 0.1243781 0.1243781 0.5000000), wk = 0.0025641 k( 322) = ( 0.1194030 0.1194030 0.5000000), wk = 0.0025641 k( 323) = ( 0.1144279 0.1144279 0.5000000), wk = 0.0025641 k( 324) = ( 0.1094527 0.1094527 0.5000000), wk = 0.0025641 k( 325) = ( 0.1044776 0.1044776 0.5000000), wk = 0.0025641 k( 326) = ( 0.0995025 0.0995025 0.5000000), wk = 0.0025641 k( 327) = ( 0.0945274 0.0945274 0.5000000), wk = 0.0025641 k( 328) = ( 0.0895522 0.0895522 0.5000000), wk = 0.0025641 k( 329) = ( 0.0845771 0.0845771 0.5000000), wk = 0.0025641 k( 330) = ( 0.0796020 0.0796020 0.5000000), wk = 0.0025641 k( 331) = ( 0.0746269 0.0746269 0.5000000), wk = 0.0025641 k( 332) = ( 0.0696517 0.0696517 0.5000000), wk = 0.0025641 k( 333) = ( 0.0646766 0.0646766 0.5000000), wk = 0.0025641 k( 334) = ( 0.0597015 0.0597015 0.5000000), wk = 0.0025641 k( 335) = ( 0.0547264 0.0547264 0.5000000), wk = 0.0025641 k( 336) = ( 0.0497512 0.0497512 0.5000000), wk = 0.0025641 k( 337) = ( 0.0447761 0.0447761 0.5000000), wk = 0.0025641 k( 338) = ( 0.0398010 0.0398010 0.5000000), wk = 0.0025641 k( 339) = ( 0.0348259 0.0348259 0.5000000), wk = 0.0025641 k( 340) = ( 0.0298507 0.0298508 0.5000000), wk = 0.0025641 k( 341) = ( 0.0248756 0.0248756 0.5000000), wk = 0.0025641 k( 342) = ( 0.0199005 0.0199005 0.5000000), wk = 0.0025641 k( 343) = ( 0.0149254 0.0149254 0.5000000), wk = 0.0025641 k( 344) = ( 0.0099503 0.0099503 0.5000000), wk = 0.0025641 k( 345) = ( 0.0049751 0.0049751 0.5000000), wk = 0.0025641 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025641 k( 348) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0025641 k( 349) = ( 0.5000000 0.0000000 0.4523809), wk = 0.0025641 k( 350) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0025641 k( 351) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0025641 k( 352) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0025641 k( 353) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0025641 k( 354) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0025641 k( 355) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0025641 k( 356) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0025641 k( 357) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0025641 k( 358) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0025641 k( 359) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0025641 k( 360) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0025641 k( 361) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0025641 k( 362) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0025641 k( 363) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0025641 k( 364) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0025641 k( 365) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0025641 k( 366) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0025641 k( 367) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0025641 k( 368) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025641 k( 369) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025641 k( 370) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0025641 k( 371) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0025641 k( 372) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0025641 k( 373) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0025641 k( 374) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0025641 k( 375) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0025641 k( 376) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0025641 k( 377) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0025641 k( 378) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0025641 k( 379) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0025641 k( 380) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0025641 k( 381) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0025641 k( 382) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0025641 k( 383) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025641 k( 384) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0025641 k( 385) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0025641 k( 386) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0025641 k( 387) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0025641 k( 388) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0025641 k( 389) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0025641 k( 390) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025641 Dense grid: 44243 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 21419 G-vectors FFT dimensions: ( 27, 27, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 122, 44) NL pseudopotentials 0.10 Mb ( 61, 112) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 920) G-vector shells 0.00 Mb ( 408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 122, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.15 Mb ( 112, 2, 44) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Li2O2.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 39.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.3 secs Computing kpt #: 3 total cpu time spent up to now is 42.8 secs Computing kpt #: 4 total cpu time spent up to now is 44.3 secs Computing kpt #: 5 total cpu time spent up to now is 45.8 secs Computing kpt #: 6 total cpu time spent up to now is 47.5 secs Computing kpt #: 7 total cpu time spent up to now is 49.2 secs Computing kpt #: 8 total cpu time spent up to now is 50.8 secs Computing kpt #: 9 total cpu time spent up to now is 52.3 secs Computing kpt #: 10 total cpu time spent up to now is 53.9 secs Computing kpt #: 11 total cpu time spent up to now is 55.5 secs Computing kpt #: 12 total cpu time spent up to now is 57.1 secs Computing kpt #: 13 total cpu time spent up to now is 58.7 secs Computing kpt #: 14 total cpu time spent up to now is 60.4 secs Computing kpt #: 15 total cpu time spent up to now is 62.0 secs Computing kpt #: 16 total cpu time spent up to now is 63.6 secs Computing kpt #: 17 total cpu time spent up to now is 65.2 secs Computing kpt #: 18 total cpu time spent up to now is 66.9 secs Computing kpt #: 19 total cpu time spent up to now is 68.5 secs Computing kpt #: 20 total cpu time spent up to now is 70.1 secs Computing kpt #: 21 total cpu time spent up to now is 71.7 secs Computing kpt #: 22 total cpu time spent up to now is 73.4 secs Computing kpt #: 23 total cpu time spent up to now is 74.9 secs Computing kpt #: 24 total cpu time spent up to now is 76.6 secs Computing kpt #: 25 total cpu time spent up to now is 78.3 secs Computing kpt #: 26 total cpu time spent up to now is 79.8 secs Computing kpt #: 27 total cpu time spent up to now is 81.5 secs Computing kpt #: 28 total cpu time spent up to now is 83.1 secs Computing kpt #: 29 total cpu time spent up to now is 84.8 secs Computing kpt #: 30 total cpu time spent up to now is 86.4 secs Computing kpt #: 31 total cpu time spent up to now is 88.4 secs Computing kpt #: 32 total cpu time spent up to now is 90.2 secs Computing kpt #: 33 total cpu time spent up to now is 92.0 secs Computing kpt #: 34 total cpu time spent up to now is 93.7 secs Computing kpt #: 35 total cpu time spent up to now is 95.5 secs Computing kpt #: 36 total cpu time spent up to now is 97.2 secs Computing kpt #: 37 total cpu time spent up to now is 98.8 secs Computing kpt #: 38 total cpu time spent up to now is 100.5 secs Computing kpt #: 39 total cpu time spent up to now is 102.1 secs Computing kpt #: 40 total cpu time spent up to now is 103.8 secs Computing kpt #: 41 total cpu time spent up to now is 105.4 secs Computing kpt #: 42 total cpu time spent up to now is 107.2 secs Computing kpt #: 43 total cpu time spent up to now is 109.1 secs Computing kpt #: 44 total cpu time spent up to now is 110.9 secs Computing kpt #: 45 total cpu time spent up to now is 112.7 secs Computing kpt #: 46 total cpu time spent up to now is 114.3 secs Computing kpt #: 47 total cpu time spent up to now is 115.8 secs Computing kpt #: 48 total cpu time spent up to now is 117.4 secs Computing kpt #: 49 total cpu time spent up to now is 119.2 secs Computing kpt #: 50 total cpu time spent up to now is 120.9 secs Computing kpt #: 51 total cpu time spent up to now is 122.8 secs Computing kpt #: 52 total cpu time spent up to now is 124.5 secs Computing kpt #: 53 total cpu time spent up to now is 126.4 secs Computing kpt #: 54 total cpu time spent up to now is 128.4 secs Computing kpt #: 55 total cpu time spent up to now is 130.6 secs Computing kpt #: 56 total cpu time spent up to now is 132.8 secs Computing kpt #: 57 total cpu time spent up to now is 134.9 secs Computing kpt #: 58 total cpu time spent up to now is 137.0 secs Computing kpt #: 59 total cpu time spent up to now is 138.6 secs Computing kpt #: 60 total cpu time spent up to now is 140.1 secs Computing kpt #: 61 total cpu time spent up to now is 141.7 secs Computing kpt #: 62 total cpu time spent up to now is 144.0 secs Computing kpt #: 63 total cpu time spent up to now is 145.6 secs Computing kpt #: 64 total cpu time spent up to now is 147.2 secs Computing kpt #: 65 total cpu time spent up to now is 148.8 secs Computing kpt #: 66 total cpu time spent up to now is 150.7 secs Computing kpt #: 67 total cpu time spent up to now is 152.3 secs Computing kpt #: 68 total cpu time spent up to now is 154.2 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.0 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.0 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 163.0 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.0 secs Computing kpt #: 73 total cpu time spent up to now is 168.1 secs Computing kpt #: 74 total cpu time spent up to now is 170.1 secs Computing kpt #: 75 total cpu time spent up to now is 171.6 secs Computing kpt #: 76 total cpu time spent up to now is 173.4 secs Computing kpt #: 77 total cpu time spent up to now is 175.1 secs Computing kpt #: 78 total cpu time spent up to now is 176.8 secs Computing kpt #: 79 total cpu time spent up to now is 178.4 secs Computing kpt #: 80 total cpu time spent up to now is 179.9 secs Computing kpt #: 81 total cpu time spent up to now is 181.6 secs Computing kpt #: 82 total cpu time spent up to now is 183.1 secs Computing kpt #: 83 total cpu time spent up to now is 184.6 secs Computing kpt #: 84 total cpu time spent up to now is 186.2 secs Computing kpt #: 85 total cpu time spent up to now is 187.7 secs Computing kpt #: 86 total cpu time spent up to now is 189.1 secs Computing kpt #: 87 total cpu time spent up to now is 190.6 secs Computing kpt #: 88 total cpu time spent up to now is 192.1 secs Computing kpt #: 89 total cpu time spent up to now is 193.5 secs Computing kpt #: 90 total cpu time spent up to now is 195.0 secs Computing kpt #: 91 total cpu time spent up to now is 196.5 secs Computing kpt #: 92 total cpu time spent up to now is 197.9 secs Computing kpt #: 93 total cpu time spent up to now is 199.4 secs Computing kpt #: 94 total cpu time spent up to now is 200.8 secs Computing kpt #: 95 total cpu time spent up to now is 202.3 secs Computing kpt #: 96 total cpu time spent up to now is 203.7 secs Computing kpt #: 97 total cpu time spent up to now is 205.2 secs Computing kpt #: 98 total cpu time spent up to now is 206.6 secs Computing kpt #: 99 total cpu time spent up to now is 208.1 secs Computing kpt #: 100 total cpu time spent up to now is 209.6 secs Computing kpt #: 101 total cpu time spent up to now is 211.1 secs Computing kpt #: 102 total cpu time spent up to now is 212.6 secs Computing kpt #: 103 total cpu time spent up to now is 214.2 secs Computing kpt #: 104 total cpu time spent up to now is 215.8 secs Computing kpt #: 105 total cpu time spent up to now is 217.3 secs Computing kpt #: 106 total cpu time spent up to now is 218.8 secs Computing kpt #: 107 total cpu time spent up to now is 220.3 secs Computing kpt #: 108 total cpu time spent up to now is 221.9 secs Computing kpt #: 109 total cpu time spent up to now is 223.4 secs Computing kpt #: 110 total cpu time spent up to now is 224.9 secs Computing kpt #: 111 total cpu time spent up to now is 226.5 secs Computing kpt #: 112 total cpu time spent up to now is 228.0 secs Computing kpt #: 113 total cpu time spent up to now is 229.5 secs Computing kpt #: 114 total cpu time spent up to now is 231.2 secs Computing kpt #: 115 total cpu time spent up to now is 232.9 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.8 secs Computing kpt #: 117 total cpu time spent up to now is 237.7 secs Computing kpt #: 118 total cpu time spent up to now is 239.2 secs Computing kpt #: 119 total cpu time spent up to now is 240.9 secs Computing kpt #: 120 total cpu time spent up to now is 242.4 secs Computing kpt #: 121 total cpu time spent up to now is 244.0 secs Computing kpt #: 122 total cpu time spent up to now is 245.6 secs Computing kpt #: 123 total cpu time spent up to now is 247.3 secs Computing kpt #: 124 total cpu time spent up to now is 248.8 secs Computing kpt #: 125 total cpu time spent up to now is 250.7 secs Computing kpt #: 126 total cpu time spent up to now is 252.5 secs Computing kpt #: 127 total cpu time spent up to now is 254.3 secs Computing kpt #: 128 total cpu time spent up to now is 256.1 secs Computing kpt #: 129 total cpu time spent up to now is 258.2 secs Computing kpt #: 130 total cpu time spent up to now is 260.4 secs Computing kpt #: 131 total cpu time spent up to now is 262.0 secs Computing kpt #: 132 total cpu time spent up to now is 263.7 secs Computing kpt #: 133 total cpu time spent up to now is 265.5 secs Computing kpt #: 134 total cpu time spent up to now is 267.1 secs Computing kpt #: 135 total cpu time spent up to now is 268.8 secs Computing kpt #: 136 total cpu time spent up to now is 270.6 secs Computing kpt #: 137 total cpu time spent up to now is 272.3 secs Computing kpt #: 138 total cpu time spent up to now is 273.9 secs Computing kpt #: 139 total cpu time spent up to now is 275.5 secs Computing kpt #: 140 total cpu time spent up to now is 277.2 secs Computing kpt #: 141 total cpu time spent up to now is 278.9 secs Computing kpt #: 142 total cpu time spent up to now is 280.6 secs Computing kpt #: 143 total cpu time spent up to now is 282.2 secs Computing kpt #: 144 total cpu time spent up to now is 283.9 secs Computing kpt #: 145 total cpu time spent up to now is 285.5 secs Computing kpt #: 146 total cpu time spent up to now is 287.2 secs Computing kpt #: 147 total cpu time spent up to now is 288.9 secs Computing kpt #: 148 total cpu time spent up to now is 290.6 secs Computing kpt #: 149 total cpu time spent up to now is 292.2 secs Computing kpt #: 150 total cpu time spent up to now is 293.9 secs Computing kpt #: 151 total cpu time spent up to now is 295.6 secs Computing kpt #: 152 total cpu time spent up to now is 297.2 secs Computing kpt #: 153 total cpu time spent up to now is 298.8 secs Computing kpt #: 154 total cpu time spent up to now is 300.4 secs Computing kpt #: 155 total cpu time spent up to now is 302.0 secs Computing kpt #: 156 total cpu time spent up to now is 303.6 secs Computing kpt #: 157 total cpu time spent up to now is 305.3 secs Computing kpt #: 158 total cpu time spent up to now is 306.8 secs Computing kpt #: 159 total cpu time spent up to now is 308.3 secs Computing kpt #: 160 total cpu time spent up to now is 309.8 secs Computing kpt #: 161 total cpu time spent up to now is 311.3 secs Computing kpt #: 162 total cpu time spent up to now is 312.8 secs Computing kpt #: 163 total cpu time spent up to now is 314.3 secs Computing kpt #: 164 total cpu time spent up to now is 315.8 secs Computing kpt #: 165 total cpu time spent up to now is 317.2 secs Computing kpt #: 166 total cpu time spent up to now is 318.8 secs Computing kpt #: 167 total cpu time spent up to now is 320.3 secs Computing kpt #: 168 total cpu time spent up to now is 321.8 secs Computing kpt #: 169 total cpu time spent up to now is 323.4 secs Computing kpt #: 170 total cpu time spent up to now is 324.9 secs Computing kpt #: 171 total cpu time spent up to now is 326.3 secs Computing kpt #: 172 total cpu time spent up to now is 327.8 secs Computing kpt #: 173 total cpu time spent up to now is 329.2 secs Computing kpt #: 174 total cpu time spent up to now is 330.6 secs Computing kpt #: 175 total cpu time spent up to now is 331.9 secs Computing kpt #: 176 total cpu time spent up to now is 333.1 secs Computing kpt #: 177 total cpu time spent up to now is 334.4 secs Computing kpt #: 178 total cpu time spent up to now is 335.7 secs Computing kpt #: 179 total cpu time spent up to now is 336.9 secs Computing kpt #: 180 total cpu time spent up to now is 338.1 secs Computing kpt #: 181 total cpu time spent up to now is 339.3 secs Computing kpt #: 182 total cpu time spent up to now is 340.6 secs Computing kpt #: 183 total cpu time spent up to now is 341.8 secs Computing kpt #: 184 total cpu time spent up to now is 343.1 secs Computing kpt #: 185 total cpu time spent up to now is 344.3 secs Computing kpt #: 186 total cpu time spent up to now is 345.5 secs Computing kpt #: 187 total cpu time spent up to now is 347.0 secs Computing kpt #: 188 total cpu time spent up to now is 348.3 secs Computing kpt #: 189 total cpu time spent up to now is 349.5 secs Computing kpt #: 190 total cpu time spent up to now is 350.8 secs Computing kpt #: 191 total cpu time spent up to now is 352.1 secs Computing kpt #: 192 total cpu time spent up to now is 353.4 secs Computing kpt #: 193 total cpu time spent up to now is 354.7 secs Computing kpt #: 194 total cpu time spent up to now is 356.0 secs Computing kpt #: 195 total cpu time spent up to now is 357.2 secs Computing kpt #: 196 total cpu time spent up to now is 358.5 secs Computing kpt #: 197 total cpu time spent up to now is 359.9 secs Computing kpt #: 198 total cpu time spent up to now is 361.2 secs Computing kpt #: 199 total cpu time spent up to now is 362.4 secs Computing kpt #: 200 total cpu time spent up to now is 363.7 secs Computing kpt #: 201 total cpu time spent up to now is 364.9 secs Computing kpt #: 202 total cpu time spent up to now is 366.2 secs Computing kpt #: 203 total cpu time spent up to now is 367.5 secs Computing kpt #: 204 total cpu time spent up to now is 368.8 secs Computing kpt #: 205 total cpu time spent up to now is 370.1 secs Computing kpt #: 206 total cpu time spent up to now is 371.4 secs Computing kpt #: 207 total cpu time spent up to now is 372.7 secs Computing kpt #: 208 total cpu time spent up to now is 374.0 secs Computing kpt #: 209 total cpu time spent up to now is 375.3 secs Computing kpt #: 210 total cpu time spent up to now is 376.8 secs Computing kpt #: 211 total cpu time spent up to now is 378.1 secs Computing kpt #: 212 total cpu time spent up to now is 379.5 secs Computing kpt #: 213 total cpu time spent up to now is 381.1 secs Computing kpt #: 214 total cpu time spent up to now is 382.5 secs Computing kpt #: 215 total cpu time spent up to now is 383.9 secs Computing kpt #: 216 total cpu time spent up to now is 385.3 secs Computing kpt #: 217 total cpu time spent up to now is 386.7 secs Computing kpt #: 218 total cpu time spent up to now is 388.2 secs Computing kpt #: 219 total cpu time spent up to now is 389.6 secs Computing kpt #: 220 total cpu time spent up to now is 391.1 secs Computing kpt #: 221 total cpu time spent up to now is 392.5 secs Computing kpt #: 222 total cpu time spent up to now is 393.9 secs Computing kpt #: 223 total cpu time spent up to now is 395.5 secs Computing kpt #: 224 total cpu time spent up to now is 397.0 secs Computing kpt #: 225 total cpu time spent up to now is 398.4 secs Computing kpt #: 226 total cpu time spent up to now is 399.9 secs Computing kpt #: 227 total cpu time spent up to now is 401.5 secs Computing kpt #: 228 total cpu time spent up to now is 403.0 secs Computing kpt #: 229 total cpu time spent up to now is 404.4 secs Computing kpt #: 230 total cpu time spent up to now is 406.0 secs Computing kpt #: 231 total cpu time spent up to now is 407.5 secs Computing kpt #: 232 total cpu time spent up to now is 409.0 secs Computing kpt #: 233 total cpu time spent up to now is 410.5 secs Computing kpt #: 234 total cpu time spent up to now is 412.0 secs Computing kpt #: 235 total cpu time spent up to now is 413.5 secs Computing kpt #: 236 total cpu time spent up to now is 415.0 secs Computing kpt #: 237 total cpu time spent up to now is 416.4 secs Computing kpt #: 238 total cpu time spent up to now is 417.9 secs Computing kpt #: 239 total cpu time spent up to now is 419.3 secs Computing kpt #: 240 total cpu time spent up to now is 420.8 secs Computing kpt #: 241 total cpu time spent up to now is 422.3 secs Computing kpt #: 242 total cpu time spent up to now is 423.7 secs Computing kpt #: 243 total cpu time spent up to now is 425.2 secs Computing kpt #: 244 total cpu time spent up to now is 426.7 secs Computing kpt #: 245 total cpu time spent up to now is 428.1 secs Computing kpt #: 246 total cpu time spent up to now is 429.6 secs Computing kpt #: 247 total cpu time spent up to now is 431.1 secs Computing kpt #: 248 total cpu time spent up to now is 432.6 secs Computing kpt #: 249 total cpu time spent up to now is 434.2 secs Computing kpt #: 250 total cpu time spent up to now is 435.7 secs Computing kpt #: 251 total cpu time spent up to now is 437.2 secs Computing kpt #: 252 total cpu time spent up to now is 438.7 secs Computing kpt #: 253 total cpu time spent up to now is 440.3 secs Computing kpt #: 254 total cpu time spent up to now is 441.8 secs Computing kpt #: 255 total cpu time spent up to now is 443.3 secs Computing kpt #: 256 total cpu time spent up to now is 444.8 secs Computing kpt #: 257 total cpu time spent up to now is 446.3 secs Computing kpt #: 258 total cpu time spent up to now is 447.8 secs Computing kpt #: 259 total cpu time spent up to now is 449.4 secs Computing kpt #: 260 total cpu time spent up to now is 451.0 secs Computing kpt #: 261 total cpu time spent up to now is 452.5 secs Computing kpt #: 262 total cpu time spent up to now is 454.1 secs Computing kpt #: 263 total cpu time spent up to now is 455.7 secs Computing kpt #: 264 total cpu time spent up to now is 457.2 secs Computing kpt #: 265 total cpu time spent up to now is 458.8 secs Computing kpt #: 266 total cpu time spent up to now is 460.4 secs Computing kpt #: 267 total cpu time spent up to now is 461.9 secs Computing kpt #: 268 total cpu time spent up to now is 463.4 secs Computing kpt #: 269 total cpu time spent up to now is 464.9 secs Computing kpt #: 270 total cpu time spent up to now is 466.4 secs Computing kpt #: 271 total cpu time spent up to now is 467.9 secs Computing kpt #: 272 total cpu time spent up to now is 469.4 secs Computing kpt #: 273 total cpu time spent up to now is 470.8 secs Computing kpt #: 274 total cpu time spent up to now is 472.3 secs Computing kpt #: 275 total cpu time spent up to now is 473.7 secs Computing kpt #: 276 total cpu time spent up to now is 475.2 secs Computing kpt #: 277 total cpu time spent up to now is 476.6 secs Computing kpt #: 278 total cpu time spent up to now is 477.9 secs Computing kpt #: 279 total cpu time spent up to now is 479.4 secs Computing kpt #: 280 total cpu time spent up to now is 480.8 secs Computing kpt #: 281 total cpu time spent up to now is 482.2 secs Computing kpt #: 282 total cpu time spent up to now is 483.6 secs Computing kpt #: 283 total cpu time spent up to now is 485.1 secs Computing kpt #: 284 total cpu time spent up to now is 486.5 secs Computing kpt #: 285 total cpu time spent up to now is 487.9 secs Computing kpt #: 286 total cpu time spent up to now is 489.4 secs Computing kpt #: 287 total cpu time spent up to now is 491.0 secs Computing kpt #: 288 total cpu time spent up to now is 492.5 secs Computing kpt #: 289 total cpu time spent up to now is 494.0 secs Computing kpt #: 290 total cpu time spent up to now is 495.5 secs Computing kpt #: 291 total cpu time spent up to now is 497.0 secs Computing kpt #: 292 total cpu time spent up to now is 498.5 secs Computing kpt #: 293 total cpu time spent up to now is 500.0 secs Computing kpt #: 294 total cpu time spent up to now is 501.6 secs Computing kpt #: 295 total cpu time spent up to now is 503.2 secs Computing kpt #: 296 total cpu time spent up to now is 504.7 secs Computing kpt #: 297 total cpu time spent up to now is 506.1 secs Computing kpt #: 298 total cpu time spent up to now is 507.6 secs Computing kpt #: 299 total cpu time spent up to now is 509.2 secs Computing kpt #: 300 total cpu time spent up to now is 510.7 secs Computing kpt #: 301 total cpu time spent up to now is 512.2 secs Computing kpt #: 302 total cpu time spent up to now is 513.7 secs Computing kpt #: 303 total cpu time spent up to now is 515.2 secs Computing kpt #: 304 total cpu time spent up to now is 516.7 secs Computing kpt #: 305 total cpu time spent up to now is 518.1 secs Computing kpt #: 306 total cpu time spent up to now is 519.6 secs Computing kpt #: 307 total cpu time spent up to now is 521.1 secs Computing kpt #: 308 total cpu time spent up to now is 522.5 secs Computing kpt #: 309 total cpu time spent up to now is 523.9 secs Computing kpt #: 310 total cpu time spent up to now is 525.2 secs Computing kpt #: 311 total cpu time spent up to now is 526.7 secs Computing kpt #: 312 total cpu time spent up to now is 528.1 secs Computing kpt #: 313 total cpu time spent up to now is 529.5 secs Computing kpt #: 314 total cpu time spent up to now is 530.7 secs Computing kpt #: 315 total cpu time spent up to now is 532.0 secs Computing kpt #: 316 total cpu time spent up to now is 533.9 secs Computing kpt #: 317 total cpu time spent up to now is 535.5 secs Computing kpt #: 318 total cpu time spent up to now is 536.8 secs Computing kpt #: 319 total cpu time spent up to now is 538.0 secs Computing kpt #: 320 total cpu time spent up to now is 539.2 secs Computing kpt #: 321 total cpu time spent up to now is 540.5 secs Computing kpt #: 322 total cpu time spent up to now is 541.8 secs Computing kpt #: 323 total cpu time spent up to now is 543.2 secs Computing kpt #: 324 total cpu time spent up to now is 544.5 secs Computing kpt #: 325 total cpu time spent up to now is 545.7 secs Computing kpt #: 326 total cpu time spent up to now is 546.9 secs Computing kpt #: 327 total cpu time spent up to now is 548.2 secs Computing kpt #: 328 total cpu time spent up to now is 549.4 secs Computing kpt #: 329 total cpu time spent up to now is 550.7 secs Computing kpt #: 330 total cpu time spent up to now is 551.9 secs Computing kpt #: 331 total cpu time spent up to now is 553.1 secs Computing kpt #: 332 total cpu time spent up to now is 554.3 secs Computing kpt #: 333 total cpu time spent up to now is 555.6 secs Computing kpt #: 334 total cpu time spent up to now is 556.8 secs Computing kpt #: 335 total cpu time spent up to now is 558.1 secs Computing kpt #: 336 total cpu time spent up to now is 559.4 secs Computing kpt #: 337 total cpu time spent up to now is 560.6 secs Computing kpt #: 338 total cpu time spent up to now is 562.0 secs Computing kpt #: 339 total cpu time spent up to now is 563.4 secs Computing kpt #: 340 total cpu time spent up to now is 564.8 secs Computing kpt #: 341 total cpu time spent up to now is 566.0 secs Computing kpt #: 342 total cpu time spent up to now is 567.3 secs Computing kpt #: 343 total cpu time spent up to now is 568.7 secs Computing kpt #: 344 total cpu time spent up to now is 570.1 secs Computing kpt #: 345 total cpu time spent up to now is 571.3 secs Computing kpt #: 346 total cpu time spent up to now is 572.5 secs Computing kpt #: 347 total cpu time spent up to now is 574.0 secs Computing kpt #: 348 total cpu time spent up to now is 575.5 secs Computing kpt #: 349 total cpu time spent up to now is 577.0 secs Computing kpt #: 350 total cpu time spent up to now is 578.5 secs Computing kpt #: 351 total cpu time spent up to now is 580.1 secs Computing kpt #: 352 total cpu time spent up to now is 581.6 secs Computing kpt #: 353 total cpu time spent up to now is 583.1 secs Computing kpt #: 354 total cpu time spent up to now is 584.7 secs Computing kpt #: 355 total cpu time spent up to now is 586.4 secs Computing kpt #: 356 total cpu time spent up to now is 587.9 secs Computing kpt #: 357 total cpu time spent up to now is 589.7 secs Computing kpt #: 358 total cpu time spent up to now is 591.4 secs Computing kpt #: 359 total cpu time spent up to now is 593.0 secs Computing kpt #: 360 total cpu time spent up to now is 594.7 secs Computing kpt #: 361 total cpu time spent up to now is 596.7 secs Computing kpt #: 362 total cpu time spent up to now is 598.9 secs Computing kpt #: 363 total cpu time spent up to now is 600.5 secs Computing kpt #: 364 total cpu time spent up to now is 602.3 secs Computing kpt #: 365 total cpu time spent up to now is 604.0 secs Computing kpt #: 366 total cpu time spent up to now is 605.7 secs Computing kpt #: 367 total cpu time spent up to now is 607.3 secs Computing kpt #: 368 total cpu time spent up to now is 609.0 secs Computing kpt #: 369 total cpu time spent up to now is 610.4 secs Computing kpt #: 370 total cpu time spent up to now is 611.9 secs Computing kpt #: 371 total cpu time spent up to now is 613.4 secs Computing kpt #: 372 total cpu time spent up to now is 614.8 secs Computing kpt #: 373 total cpu time spent up to now is 616.3 secs Computing kpt #: 374 total cpu time spent up to now is 617.7 secs Computing kpt #: 375 total cpu time spent up to now is 619.1 secs Computing kpt #: 376 total cpu time spent up to now is 620.5 secs Computing kpt #: 377 total cpu time spent up to now is 621.9 secs Computing kpt #: 378 total cpu time spent up to now is 623.4 secs Computing kpt #: 379 total cpu time spent up to now is 624.8 secs Computing kpt #: 380 total cpu time spent up to now is 626.2 secs Computing kpt #: 381 total cpu time spent up to now is 627.6 secs Computing kpt #: 382 total cpu time spent up to now is 629.1 secs Computing kpt #: 383 total cpu time spent up to now is 630.5 secs Computing kpt #: 384 total cpu time spent up to now is 631.9 secs Computing kpt #: 385 total cpu time spent up to now is 633.3 secs Computing kpt #: 386 total cpu time spent up to now is 634.7 secs Computing kpt #: 387 total cpu time spent up to now is 636.0 secs Computing kpt #: 388 total cpu time spent up to now is 637.4 secs Computing kpt #: 389 total cpu time spent up to now is 638.8 secs Computing kpt #: 390 total cpu time spent up to now is 640.2 secs ethr = 2.78E-11, avg # of iterations = 36.1 total cpu time spent up to now is 640.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -39.8682 -39.8682 -39.8323 -39.8323 -39.6965 -39.6965 -39.6615 -39.6615 -19.3789 -19.3789 -19.3777 -19.3777 -9.6694 -9.6694 -9.2454 -9.2454 -3.1925 -3.1925 -1.9203 -1.9203 -0.3739 -0.3739 -0.3526 -0.3526 -0.2217 -0.2217 -0.2000 -0.2000 5.0304 5.0304 5.0555 5.0555 5.4388 5.4388 5.4658 5.4658 8.1859 8.1859 9.9770 9.9770 10.6554 10.6554 11.7137 11.7137 k = 0.0086 0.0050-0.0000 ( 2685 PWs) bands (ev): -39.8681 -39.8681 -39.8323 -39.8323 -39.6966 -39.6966 -39.6615 -39.6615 -19.3788 -19.3788 -19.3776 -19.3776 -9.6693 -9.6693 -9.2454 -9.2454 -3.1922 -3.1922 -1.9204 -1.9204 -0.3748 -0.3748 -0.3536 -0.3536 -0.2226 -0.2226 -0.2008 -0.2008 5.0296 5.0296 5.0547 5.0547 5.4381 5.4381 5.4650 5.4650 8.1872 8.1872 9.9789 9.9789 10.6578 10.6578 11.7138 11.7138 k = 0.0172 0.0100-0.0000 ( 2685 PWs) bands (ev): -39.8680 -39.8680 -39.8321 -39.8321 -39.6966 -39.6966 -39.6616 -39.6616 -19.3784 -19.3784 -19.3773 -19.3773 -9.6688 -9.6688 -9.2454 -9.2454 -3.1915 -3.1915 -1.9208 -1.9208 -0.3778 -0.3778 -0.3563 -0.3563 -0.2254 -0.2254 -0.2033 -0.2033 5.0273 5.0273 5.0523 5.0523 5.4357 5.4357 5.4629 5.4629 8.1910 8.1910 9.9847 9.9847 10.6650 10.6650 11.7140 11.7140 k = 0.0259 0.0149-0.0000 ( 2679 PWs) bands (ev): -39.8678 -39.8678 -39.8320 -39.8320 -39.6967 -39.6967 -39.6617 -39.6617 -19.3779 -19.3779 -19.3767 -19.3767 -9.6681 -9.6681 -9.2453 -9.2453 -3.1903 -3.1903 -1.9215 -1.9215 -0.3832 -0.3832 -0.3604 -0.3604 -0.2306 -0.2306 -0.2068 -0.2068 5.0234 5.0234 5.0484 5.0484 5.4313 5.4313 5.4599 5.4599 8.1973 8.1973 9.9944 9.9944 10.6770 10.6770 11.7144 11.7144 k = 0.0345 0.0199-0.0000 ( 2675 PWs) bands (ev): -39.8675 -39.8675 -39.8317 -39.8317 -39.6968 -39.6968 -39.6618 -39.6618 -19.3771 -19.3771 -19.3759 -19.3759 -9.6671 -9.6671 -9.2453 -9.2453 -3.1885 -3.1885 -1.9225 -1.9225 -0.3914 -0.3914 -0.3655 -0.3655 -0.2388 -0.2388 -0.2107 -0.2107 5.0178 5.0178 5.0429 5.0429 5.4244 5.4244 5.4566 5.4566 8.2061 8.2061 10.0078 10.0078 10.6937 10.6937 11.7151 11.7151 k = 0.0431 0.0249-0.0000 ( 2679 PWs) bands (ev): -39.8672 -39.8672 -39.8314 -39.8314 -39.6969 -39.6969 -39.6620 -39.6620 -19.3761 -19.3761 -19.3750 -19.3750 -9.6657 -9.6657 -9.2452 -9.2452 -3.1863 -3.1863 -1.9238 -1.9238 -0.4027 -0.4027 -0.3711 -0.3711 -0.2502 -0.2502 -0.2148 -0.2148 5.0106 5.0106 5.0360 5.0360 5.4146 5.4146 5.4532 5.4532 8.2174 8.2174 10.0248 10.0248 10.7151 10.7151 11.7161 11.7161 k = 0.0517 0.0299-0.0000 ( 2681 PWs) bands (ev): -39.8667 -39.8667 -39.8309 -39.8309 -39.6971 -39.6971 -39.6622 -39.6622 -19.3749 -19.3749 -19.3738 -19.3738 -9.6641 -9.6641 -9.2451 -9.2451 -3.1836 -3.1836 -1.9253 -1.9253 -0.4171 -0.4171 -0.3772 -0.3772 -0.2647 -0.2647 -0.2191 -0.2191 5.0015 5.0015 5.0279 5.0279 5.4021 5.4021 5.4501 5.4501 8.2311 8.2311 10.0452 10.0452 10.7410 10.7410 11.7176 11.7176 k = 0.0603 0.0348-0.0000 ( 2685 PWs) bands (ev): -39.8662 -39.8662 -39.8304 -39.8304 -39.6973 -39.6973 -39.6624 -39.6624 -19.3734 -19.3734 -19.3724 -19.3724 -9.6622 -9.6622 -9.2450 -9.2450 -3.1804 -3.1804 -1.9271 -1.9271 -0.4345 -0.4345 -0.3839 -0.3839 -0.2822 -0.2822 -0.2236 -0.2236 4.9904 4.9904 5.0185 5.0185 5.3871 5.3871 5.4469 5.4469 8.2472 8.2472 10.0689 10.0689 10.7715 10.7715 11.7198 11.7198 k = 0.0690 0.0398-0.0000 ( 2683 PWs) bands (ev): -39.8656 -39.8656 -39.8299 -39.8299 -39.6975 -39.6975 -39.6627 -39.6627 -19.3718 -19.3718 -19.3707 -19.3707 -9.6600 -9.6600 -9.2448 -9.2448 -3.1768 -3.1768 -1.9292 -1.9292 -0.4547 -0.4547 -0.3912 -0.3912 -0.3024 -0.3024 -0.2284 -0.2284 4.9773 4.9773 5.0081 5.0081 5.3698 5.3698 5.4437 5.4437 8.2656 8.2656 10.0955 10.0955 10.8063 10.8063 11.7227 11.7227 k = 0.0776 0.0448-0.0000 ( 2687 PWs) bands (ev): -39.8649 -39.8649 -39.8292 -39.8292 -39.6978 -39.6978 -39.6630 -39.6630 -19.3700 -19.3700 -19.3689 -19.3689 -9.6575 -9.6575 -9.2447 -9.2447 -3.1726 -3.1726 -1.9315 -1.9315 -0.4775 -0.4775 -0.3992 -0.3992 -0.3251 -0.3251 -0.2337 -0.2337 4.9618 4.9618 4.9968 4.9968 5.3505 5.3505 5.4402 5.4402 8.2864 8.2864 10.1247 10.1247 10.8453 10.8453 11.7268 11.7268 k = 0.0862 0.0498-0.0000 ( 2683 PWs) bands (ev): -39.8642 -39.8642 -39.8285 -39.8285 -39.6981 -39.6981 -39.6633 -39.6633 -19.3680 -19.3680 -19.3669 -19.3669 -9.6548 -9.6548 -9.2446 -9.2446 -3.1680 -3.1680 -1.9341 -1.9341 -0.5028 -0.5028 -0.4079 -0.4079 -0.3502 -0.3502 -0.2395 -0.2395 4.9441 4.9441 4.9846 4.9846 5.3296 5.3296 5.4366 5.4366 8.3094 8.3094 10.1563 10.1563 10.8883 10.8883 11.7322 11.7322 k = 0.0948 0.0547-0.0000 ( 2687 PWs) bands (ev): -39.8633 -39.8633 -39.8278 -39.8278 -39.6984 -39.6984 -39.6637 -39.6637 -19.3657 -19.3657 -19.3647 -19.3647 -9.6518 -9.6518 -9.2444 -9.2444 -3.1630 -3.1630 -1.9370 -1.9370 -0.5305 -0.5305 -0.4174 -0.4174 -0.3773 -0.3773 -0.2458 -0.2458 4.9239 4.9239 4.9717 4.9717 5.3072 5.3072 5.4326 5.4326 8.3346 8.3346 10.1898 10.1898 10.9353 10.9353 11.7393 11.7393 k = 0.1034 0.0597-0.0000 ( 2687 PWs) bands (ev): -39.8624 -39.8624 -39.8269 -39.8269 -39.6988 -39.6988 -39.6641 -39.6641 -19.3633 -19.3633 -19.3623 -19.3623 -9.6485 -9.6485 -9.2443 -9.2443 -3.1574 -3.1574 -1.9402 -1.9402 -0.5604 -0.5604 -0.4281 -0.4281 -0.4061 -0.4061 -0.2525 -0.2525 4.9013 4.9013 4.9580 4.9580 5.2837 5.2837 5.4283 5.4283 8.3619 8.3619 10.2247 10.2247 10.9858 10.9858 11.7485 11.7485 k = 0.1121 0.0647-0.0000 ( 2691 PWs) bands (ev): -39.8615 -39.8615 -39.8260 -39.8260 -39.6992 -39.6992 -39.6646 -39.6646 -19.3607 -19.3607 -19.3597 -19.3597 -9.6449 -9.6449 -9.2441 -9.2441 -3.1514 -3.1514 -1.9437 -1.9437 -0.5924 -0.5924 -0.4437 -0.4437 -0.4325 -0.4325 -0.2597 -0.2597 4.8763 4.8763 4.9436 4.9436 5.2592 5.2592 5.4237 5.4237 8.3913 8.3913 10.2606 10.2606 11.0398 11.0398 11.7603 11.7603 k = 0.1207 0.0697-0.0000 ( 2687 PWs) bands (ev): -39.8604 -39.8604 -39.8250 -39.8250 -39.6996 -39.6996 -39.6650 -39.6650 -19.3580 -19.3580 -19.3569 -19.3569 -9.6411 -9.6411 -9.2440 -9.2440 -3.1450 -3.1450 -1.9474 -1.9474 -0.6264 -0.6264 -0.4735 -0.4735 -0.4471 -0.4471 -0.2674 -0.2674 4.8489 4.8489 4.9285 4.9285 5.2339 5.2339 5.4187 5.4187 8.4228 8.4228 10.2970 10.2970 11.0970 11.0970 11.7752 11.7752 k = 0.1293 0.0747-0.0000 ( 2687 PWs) bands (ev): -39.8593 -39.8593 -39.8240 -39.8240 -39.7001 -39.7001 -39.6656 -39.6656 -19.3550 -19.3550 -19.3540 -19.3540 -9.6370 -9.6370 -9.2439 -9.2439 -3.1381 -3.1381 -1.9515 -1.9515 -0.6621 -0.6621 -0.5078 -0.5078 -0.4594 -0.4594 -0.2755 -0.2755 4.8192 4.8192 4.9127 4.9127 5.2082 5.2082 5.4133 5.4133 8.4563 8.4563 10.3332 10.3332 11.1569 11.1569 11.7938 11.7938 k = 0.1379 0.0796-0.0000 ( 2683 PWs) bands (ev): -39.8581 -39.8581 -39.8229 -39.8229 -39.7006 -39.7006 -39.6661 -39.6661 -19.3519 -19.3519 -19.3509 -19.3509 -9.6327 -9.6327 -9.2437 -9.2437 -3.1308 -3.1308 -1.9558 -1.9558 -0.6996 -0.6996 -0.5439 -0.5439 -0.4719 -0.4719 -0.2841 -0.2841 4.7871 4.7871 4.8964 4.8964 5.1821 5.1821 5.4077 5.4077 8.4918 8.4918 10.3686 10.3686 11.2195 11.2195 11.8167 11.8167 k = 0.1466 0.0846-0.0000 ( 2679 PWs) bands (ev): -39.8569 -39.8569 -39.8217 -39.8217 -39.7011 -39.7011 -39.6667 -39.6667 -19.3487 -19.3487 -19.3477 -19.3477 -9.6281 -9.6281 -9.2436 -9.2436 -3.1231 -3.1231 -1.9604 -1.9604 -0.7385 -0.7385 -0.5815 -0.5815 -0.4848 -0.4848 -0.2930 -0.2930 4.7527 4.7527 4.8795 4.8795 5.1557 5.1557 5.4016 5.4016 8.5292 8.5292 10.4026 10.4026 11.2842 11.2842 11.8445 11.8445 k = 0.1552 0.0896-0.0000 ( 2681 PWs) bands (ev): -39.8556 -39.8556 -39.8205 -39.8205 -39.7016 -39.7016 -39.6673 -39.6673 -19.3453 -19.3453 -19.3443 -19.3443 -9.6233 -9.6233 -9.2435 -9.2435 -3.1150 -3.1150 -1.9652 -1.9652 -0.7789 -0.7789 -0.6203 -0.6203 -0.4980 -0.4980 -0.3024 -0.3024 4.7163 4.7163 4.8621 4.8621 5.1292 5.1292 5.3953 5.3953 8.5684 8.5684 10.4347 10.4347 11.3509 11.3509 11.8778 11.8778 k = 0.1638 0.0946-0.0000 ( 2681 PWs) bands (ev): -39.8542 -39.8542 -39.8192 -39.8192 -39.7022 -39.7022 -39.6680 -39.6680 -19.3417 -19.3417 -19.3408 -19.3408 -9.6183 -9.6183 -9.2435 -9.2435 -3.1064 -3.1064 -1.9704 -1.9704 -0.8204 -0.8204 -0.6602 -0.6602 -0.5117 -0.5117 -0.3121 -0.3121 4.6778 4.6778 4.8443 4.8443 5.1027 5.1027 5.3886 5.3886 8.6095 8.6095 10.4641 10.4641 11.4191 11.4191 11.9172 11.9172 k = 0.1724 0.0995-0.0000 ( 2681 PWs) bands (ev): -39.8528 -39.8528 -39.8178 -39.8178 -39.7028 -39.7028 -39.6687 -39.6687 -19.3381 -19.3381 -19.3372 -19.3372 -9.6130 -9.6130 -9.2434 -9.2434 -3.0975 -3.0975 -1.9759 -1.9759 -0.8631 -0.8631 -0.7010 -0.7010 -0.5256 -0.5256 -0.3221 -0.3221 4.6376 4.6376 4.8261 4.8261 5.0762 5.0762 5.3816 5.3816 8.6524 8.6524 10.4906 10.4906 11.4887 11.4887 11.9631 11.9631 k = 0.1810 0.1045-0.0000 ( 2681 PWs) bands (ev): -39.8513 -39.8513 -39.8164 -39.8164 -39.7035 -39.7035 -39.6694 -39.6694 -19.3343 -19.3343 -19.3335 -19.3335 -9.6076 -9.6076 -9.2434 -9.2434 -3.0882 -3.0882 -1.9817 -1.9817 -0.9066 -0.9066 -0.7425 -0.7425 -0.5399 -0.5399 -0.3324 -0.3324 4.5957 4.5957 4.8076 4.8076 5.0497 5.0497 5.3744 5.3744 8.6970 8.6970 10.5135 10.5135 11.5595 11.5595 12.0157 12.0157 k = 0.1897 0.1095-0.0000 ( 2681 PWs) bands (ev): -39.8497 -39.8497 -39.8150 -39.8150 -39.7042 -39.7042 -39.6702 -39.6702 -19.3305 -19.3305 -19.3296 -19.3296 -9.6019 -9.6019 -9.2435 -9.2435 -3.0785 -3.0785 -1.9878 -1.9878 -0.9509 -0.9509 -0.7847 -0.7847 -0.5545 -0.5545 -0.3430 -0.3430 4.5523 4.5523 4.7887 4.7887 5.0234 5.0234 5.3669 5.3669 8.7434 8.7434 10.5328 10.5328 11.6313 11.6313 12.0750 12.0750 k = 0.1983 0.1145-0.0000 ( 2678 PWs) bands (ev): -39.8481 -39.8481 -39.8135 -39.8135 -39.7049 -39.7049 -39.6710 -39.6710 -19.3265 -19.3265 -19.3257 -19.3257 -9.5961 -9.5961 -9.2436 -9.2436 -3.0684 -3.0684 -1.9942 -1.9942 -0.9957 -0.9957 -0.8273 -0.8273 -0.5693 -0.5693 -0.3538 -0.3538 4.5078 4.5078 4.7697 4.7697 4.9971 4.9971 5.3591 5.3591 8.7915 8.7915 10.5483 10.5483 11.7042 11.7042 12.1408 12.1408 k = 0.2069 0.1195-0.0000 ( 2680 PWs) bands (ev): -39.8465 -39.8465 -39.8119 -39.8119 -39.7057 -39.7057 -39.6718 -39.6718 -19.3225 -19.3225 -19.3217 -19.3217 -9.5900 -9.5900 -9.2437 -9.2437 -3.0580 -3.0580 -2.0010 -2.0010 -1.0410 -1.0410 -0.8703 -0.8703 -0.5842 -0.5842 -0.3648 -0.3648 4.4621 4.4621 4.7505 4.7505 4.9710 4.9710 5.3511 5.3511 8.8412 8.8412 10.5599 10.5599 11.7782 11.7782 12.2127 12.2127 k = 0.2155 0.1244-0.0000 ( 2680 PWs) bands (ev): -39.8448 -39.8448 -39.8103 -39.8103 -39.7064 -39.7064 -39.6727 -39.6727 -19.3184 -19.3184 -19.3176 -19.3176 -9.5838 -9.5838 -9.2439 -9.2439 -3.0473 -3.0473 -2.0081 -2.0081 -1.0865 -1.0865 -0.9134 -0.9134 -0.5993 -0.5993 -0.3760 -0.3760 4.4156 4.4156 4.7312 4.7312 4.9450 4.9450 5.3430 5.3430 8.8926 8.8926 10.5678 10.5678 11.8535 11.8535 12.2902 12.2902 k = 0.2241 0.1294-0.0000 ( 2676 PWs) bands (ev): -39.8431 -39.8431 -39.8087 -39.8087 -39.7073 -39.7073 -39.6736 -39.6736 -19.3143 -19.3143 -19.3134 -19.3134 -9.5775 -9.5775 -9.2442 -9.2442 -3.0362 -3.0362 -2.0155 -2.0155 -1.1321 -1.1321 -0.9567 -0.9567 -0.6145 -0.6145 -0.3873 -0.3873 4.3685 4.3685 4.7118 4.7118 4.9192 4.9192 5.3346 5.3346 8.9456 8.9456 10.5722 10.5722 11.9299 11.9299 12.3726 12.3726 k = 0.2328 0.1344-0.0000 ( 2672 PWs) bands (ev): -39.8413 -39.8413 -39.8070 -39.8070 -39.7081 -39.7081 -39.6745 -39.6745 -19.3101 -19.3101 -19.3093 -19.3093 -9.5710 -9.5710 -9.2445 -9.2445 -3.0248 -3.0248 -2.0234 -2.0234 -1.1777 -1.1777 -0.9999 -0.9999 -0.6297 -0.6297 -0.3987 -0.3987 4.3209 4.3209 4.6924 4.6924 4.8935 4.8935 5.3262 5.3262 9.0002 9.0002 10.5734 10.5734 12.0075 12.0075 12.4592 12.4592 k = 0.2414 0.1394-0.0000 ( 2672 PWs) bands (ev): -39.8395 -39.8395 -39.8053 -39.8053 -39.7090 -39.7090 -39.6755 -39.6755 -19.3059 -19.3059 -19.3050 -19.3050 -9.5643 -9.5643 -9.2449 -9.2449 -3.0131 -3.0131 -2.0317 -2.0317 -1.2230 -1.2230 -1.0430 -1.0430 -0.6449 -0.6449 -0.4101 -0.4101 4.2730 4.2730 4.6731 4.6731 4.8681 4.8681 5.3176 5.3176 9.0564 9.0564 10.5716 10.5716 12.0863 12.0863 12.5495 12.5495 k = 0.2500 0.1443-0.0000 ( 2676 PWs) bands (ev): -39.8377 -39.8377 -39.8036 -39.8036 -39.7099 -39.7099 -39.6765 -39.6765 -19.3017 -19.3017 -19.3008 -19.3008 -9.5576 -9.5576 -9.2454 -9.2454 -3.0012 -3.0012 -2.0404 -2.0404 -1.2679 -1.2679 -1.0858 -1.0858 -0.6601 -0.6601 -0.4216 -0.4216 4.2251 4.2251 4.6539 4.6539 4.8429 4.8429 5.3090 5.3090 9.1140 9.1140 10.5672 10.5672 12.1661 12.1661 12.6429 12.6429 k = 0.2586 0.1493-0.0000 ( 2670 PWs) bands (ev): -39.8358 -39.8358 -39.8018 -39.8018 -39.7108 -39.7108 -39.6775 -39.6775 -19.2975 -19.2975 -19.2965 -19.2965 -9.5507 -9.5507 -9.2459 -9.2459 -2.9889 -2.9889 -2.0496 -2.0496 -1.3122 -1.3122 -1.1282 -1.1282 -0.6752 -0.6752 -0.4331 -0.4331 4.1772 4.1772 4.6348 4.6348 4.8179 4.8179 5.3003 5.3003 9.1732 9.1732 10.5605 10.5605 12.2467 12.2467 12.7388 12.7388 k = 0.2672 0.1543-0.0000 ( 2666 PWs) bands (ev): -39.8339 -39.8339 -39.8000 -39.8000 -39.7118 -39.7118 -39.6786 -39.6786 -19.2932 -19.2932 -19.2922 -19.2922 -9.5437 -9.5437 -9.2466 -9.2466 -2.9764 -2.9764 -2.0593 -2.0593 -1.3558 -1.3558 -1.1701 -1.1701 -0.6901 -0.6901 -0.4445 -0.4445 4.1296 4.1296 4.6160 4.6160 4.7933 4.7933 5.2916 5.2916 9.2338 9.2338 10.5519 10.5519 12.3279 12.3279 12.8368 12.8368 k = 0.2759 0.1593-0.0000 ( 2664 PWs) bands (ev): -39.8320 -39.8320 -39.7982 -39.7982 -39.7128 -39.7128 -39.6797 -39.6797 -19.2890 -19.2890 -19.2880 -19.2880 -9.5367 -9.5367 -9.2473 -9.2473 -2.9636 -2.9636 -2.0695 -2.0695 -1.3984 -1.3984 -1.2114 -1.2114 -0.7049 -0.7049 -0.4558 -0.4558 4.0824 4.0824 4.5974 4.5974 4.7690 4.7690 5.2829 5.2829 9.2959 9.2959 10.5416 10.5416 12.4094 12.4094 12.9363 12.9363 k = 0.2845 0.1642-0.0000 ( 2672 PWs) bands (ev): -39.8300 -39.8300 -39.7964 -39.7964 -39.7138 -39.7138 -39.6808 -39.6808 -19.2849 -19.2849 -19.2838 -19.2838 -9.5295 -9.5295 -9.2482 -9.2482 -2.9506 -2.9506 -2.0804 -2.0804 -1.4400 -1.4400 -1.2520 -1.2520 -0.7195 -0.7195 -0.4670 -0.4670 4.0358 4.0358 4.5791 4.5791 4.7450 4.7450 5.2742 5.2742 9.3594 9.3594 10.5299 10.5299 12.4908 12.4908 13.0369 13.0369 k = 0.2931 0.1692-0.0000 ( 2674 PWs) bands (ev): -39.8281 -39.8281 -39.7945 -39.7945 -39.7149 -39.7149 -39.6819 -39.6819 -19.2808 -19.2808 -19.2796 -19.2796 -9.5223 -9.5223 -9.2491 -9.2491 -2.9373 -2.9373 -2.0919 -2.0919 -1.4803 -1.4803 -1.2919 -1.2919 -0.7338 -0.7338 -0.4781 -0.4781 3.9899 3.9899 4.5611 4.5611 4.7215 4.7215 5.2656 5.2656 9.4243 9.4243 10.5171 10.5171 12.5718 12.5718 13.1383 13.1383 k = 0.3017 0.1742-0.0000 ( 2674 PWs) bands (ev): -39.8261 -39.8261 -39.7926 -39.7926 -39.7160 -39.7160 -39.6831 -39.6831 -19.2767 -19.2767 -19.2755 -19.2755 -9.5151 -9.5151 -9.2502 -9.2502 -2.9239 -2.9239 -2.1041 -2.1041 -1.5193 -1.5193 -1.3309 -1.3309 -0.7479 -0.7479 -0.4890 -0.4890 3.9448 3.9448 4.5436 4.5436 4.6985 4.6985 5.2571 5.2571 9.4905 9.4905 10.5034 10.5034 12.6522 12.6522 13.1876 13.1876 k = 0.3103 0.1792-0.0000 ( 2670 PWs) bands (ev): -39.8242 -39.8242 -39.7908 -39.7908 -39.7171 -39.7171 -39.6842 -39.6842 -19.2727 -19.2727 -19.2714 -19.2714 -9.5079 -9.5079 -9.2513 -9.2513 -2.9102 -2.9102 -2.1171 -2.1171 -1.5566 -1.5566 -1.3689 -1.3689 -0.7616 -0.7616 -0.4997 -0.4997 3.9006 3.9006 4.5264 4.5264 4.6759 4.6759 5.2488 5.2488 9.5580 9.5580 10.4891 10.4891 12.7315 12.7315 13.1208 13.1208 k = 0.3190 0.1842-0.0000 ( 2670 PWs) bands (ev): -39.8222 -39.8222 -39.7889 -39.7889 -39.7182 -39.7182 -39.6854 -39.6854 -19.2688 -19.2688 -19.2674 -19.2674 -9.5006 -9.5006 -9.2526 -9.2526 -2.8963 -2.8963 -2.1309 -2.1309 -1.5922 -1.5922 -1.4060 -1.4060 -0.7750 -0.7750 -0.5102 -0.5102 3.8576 3.8576 4.5098 4.5098 4.6540 4.6540 5.2406 5.2406 9.6267 9.6267 10.4743 10.4743 12.8093 12.8093 13.0519 13.0519 k = 0.3276 0.1891-0.0000 ( 2682 PWs) bands (ev): -39.8202 -39.8202 -39.7870 -39.7870 -39.7193 -39.7193 -39.6867 -39.6867 -19.2650 -19.2650 -19.2635 -19.2635 -9.4933 -9.4933 -9.2540 -9.2540 -2.8822 -2.8822 -2.1456 -2.1456 -1.6259 -1.6259 -1.4419 -1.4419 -0.7880 -0.7880 -0.5203 -0.5203 3.8158 3.8158 4.4936 4.4936 4.6326 4.6326 5.2326 5.2326 9.6967 9.6967 10.4592 10.4592 12.8854 12.8854 12.9810 12.9810 k = 0.3362 0.1941-0.0000 ( 2682 PWs) bands (ev): -39.8182 -39.8182 -39.7851 -39.7851 -39.7205 -39.7205 -39.6879 -39.6879 -19.2613 -19.2613 -19.2597 -19.2597 -9.4861 -9.4861 -9.2555 -9.2555 -2.8679 -2.8679 -2.1611 -2.1611 -1.6576 -1.6576 -1.4767 -1.4767 -0.8006 -0.8006 -0.5302 -0.5302 3.7754 3.7754 4.4780 4.4780 4.6120 4.6120 5.2248 5.2248 9.7679 9.7679 10.4440 10.4440 12.9083 12.9083 12.9594 12.9594 k = 0.3448 0.1991-0.0000 ( 2684 PWs) bands (ev): -39.8163 -39.8163 -39.7833 -39.7833 -39.7216 -39.7216 -39.6891 -39.6891 -19.2577 -19.2577 -19.2561 -19.2561 -9.4789 -9.4789 -9.2571 -9.2571 -2.8534 -2.8534 -2.1776 -2.1776 -1.6872 -1.6872 -1.5102 -1.5102 -0.8127 -0.8127 -0.5397 -0.5397 3.7364 3.7364 4.4630 4.4630 4.5920 4.5920 5.2172 5.2172 9.8403 9.8403 10.4289 10.4289 12.8341 12.8341 13.0308 13.0308 k = 0.3534 0.2041-0.0000 ( 2678 PWs) bands (ev): -39.8144 -39.8144 -39.7814 -39.7814 -39.7228 -39.7228 -39.6903 -39.6903 -19.2542 -19.2542 -19.2525 -19.2525 -9.4718 -9.4718 -9.2589 -9.2589 -2.8387 -2.8387 -2.1950 -2.1950 -1.7145 -1.7145 -1.5425 -1.5425 -0.8243 -0.8243 -0.5489 -0.5489 3.6989 3.6989 4.4486 4.4486 4.5728 4.5728 5.2099 5.2099 9.9137 9.9137 10.4139 10.4139 12.7583 12.7583 13.0995 13.0995 k = 0.3621 0.2090-0.0000 ( 2678 PWs) bands (ev): -39.8125 -39.8125 -39.7796 -39.7796 -39.7240 -39.7240 -39.6916 -39.6916 -19.2509 -19.2509 -19.2491 -19.2491 -9.4648 -9.4648 -9.2607 -9.2607 -2.8239 -2.8239 -2.2134 -2.2134 -1.7396 -1.7396 -1.5734 -1.5734 -0.8355 -0.8355 -0.5577 -0.5577 3.6630 3.6630 4.4348 4.4348 4.5545 4.5545 5.2029 5.2029 9.9882 9.9882 10.3993 10.3993 12.6812 12.6812 13.1650 13.1650 k = 0.3707 0.2140-0.0000 ( 2674 PWs) bands (ev): -39.8106 -39.8106 -39.7778 -39.7778 -39.7252 -39.7252 -39.6928 -39.6928 -19.2477 -19.2477 -19.2458 -19.2458 -9.4579 -9.4579 -9.2627 -9.2627 -2.8088 -2.8088 -2.2325 -2.2325 -1.7624 -1.7624 -1.6030 -1.6030 -0.8460 -0.8460 -0.5661 -0.5661 3.6289 3.6289 4.4217 4.4217 4.5370 4.5370 5.1962 5.1962 10.0637 10.0637 10.3850 10.3850 12.6028 12.6028 13.2272 13.2272 k = 0.3793 0.2190-0.0000 ( 2674 PWs) bands (ev): -39.8088 -39.8088 -39.7761 -39.7761 -39.7263 -39.7263 -39.6940 -39.6940 -19.2446 -19.2446 -19.2427 -19.2427 -9.4511 -9.4511 -9.2647 -9.2647 -2.7936 -2.7936 -2.2525 -2.2525 -1.7829 -1.7829 -1.6311 -1.6311 -0.8561 -0.8561 -0.5741 -0.5741 3.5966 3.5966 4.4093 4.4093 4.5204 4.5204 5.1898 5.1898 10.1400 10.1400 10.3713 10.3713 12.5234 12.5234 13.2856 13.2856 k = 0.3879 0.2240-0.0000 ( 2670 PWs) bands (ev): -39.8070 -39.8070 -39.7744 -39.7744 -39.7275 -39.7275 -39.6953 -39.6953 -19.2418 -19.2418 -19.2398 -19.2398 -9.4445 -9.4445 -9.2669 -9.2669 -2.7782 -2.7782 -2.2731 -2.2731 -1.8012 -1.8012 -1.6578 -1.6578 -0.8655 -0.8655 -0.5816 -0.5816 3.5662 3.5662 4.3977 4.3977 4.5047 4.5047 5.1838 5.1838 10.2173 10.2173 10.3581 10.3581 12.4430 12.4430 13.3402 13.3402 k = 0.3966 0.2289-0.0000 ( 2670 PWs) bands (ev): -39.8053 -39.8053 -39.7727 -39.7727 -39.7286 -39.7286 -39.6964 -39.6964 -19.2390 -19.2390 -19.2370 -19.2370 -9.4381 -9.4381 -9.2691 -9.2691 -2.7626 -2.7626 -2.2942 -2.2942 -1.8173 -1.8173 -1.6830 -1.6830 -0.8743 -0.8743 -0.5886 -0.5886 3.5377 3.5377 4.3868 4.3868 4.4900 4.4900 5.1781 5.1781 10.2953 10.2953 10.3457 10.3457 12.3618 12.3618 13.3908 13.3908 k = 0.4052 0.2339-0.0000 ( 2670 PWs) bands (ev): -39.8037 -39.8037 -39.7711 -39.7711 -39.7297 -39.7297 -39.6976 -39.6976 -19.2365 -19.2365 -19.2344 -19.2344 -9.4318 -9.4318 -9.2714 -9.2714 -2.7468 -2.7468 -2.3158 -2.3158 -1.8312 -1.8312 -1.7067 -1.7067 -0.8825 -0.8825 -0.5951 -0.5951 3.5113 3.5113 4.3767 4.3767 4.4764 4.4764 5.1728 5.1728 10.3339 10.3339 10.3741 10.3741 12.2800 12.2800 13.4372 13.4372 k = 0.4138 0.2389-0.0000 ( 2672 PWs) bands (ev): -39.8021 -39.8021 -39.7696 -39.7696 -39.7308 -39.7308 -39.6987 -39.6987 -19.2342 -19.2342 -19.2321 -19.2321 -9.4259 -9.4259 -9.2737 -9.2737 -2.7307 -2.7307 -2.3376 -2.3376 -1.8431 -1.8431 -1.7288 -1.7288 -0.8901 -0.8901 -0.6012 -0.6012 3.4869 3.4869 4.3674 4.3674 4.4638 4.4638 5.1680 5.1680 10.3230 10.3230 10.4533 10.4533 12.1977 12.1977 13.4793 13.4793 k = 0.4224 0.2439-0.0000 ( 2680 PWs) bands (ev): -39.8006 -39.8006 -39.7682 -39.7682 -39.7318 -39.7318 -39.6998 -39.6998 -19.2321 -19.2321 -19.2299 -19.2299 -9.4202 -9.4202 -9.2761 -9.2761 -2.7145 -2.7145 -2.3596 -2.3596 -1.8531 -1.8531 -1.7495 -1.7495 -0.8970 -0.8970 -0.6067 -0.6067 3.4647 3.4647 4.3589 4.3589 4.4523 4.4523 5.1635 5.1635 10.3130 10.3130 10.5331 10.5331 12.1152 12.1152 13.5172 13.5172 k = 0.4310 0.2489-0.0000 ( 2676 PWs) bands (ev): -39.7992 -39.7992 -39.7669 -39.7669 -39.7328 -39.7328 -39.7007 -39.7007 -19.2302 -19.2302 -19.2279 -19.2279 -9.4149 -9.4149 -9.2784 -9.2784 -2.6980 -2.6980 -2.3815 -2.3815 -1.8612 -1.8612 -1.7685 -1.7685 -0.9032 -0.9032 -0.6117 -0.6117 3.4447 3.4447 4.3513 4.3513 4.4420 4.4420 5.1595 5.1595 10.3039 10.3039 10.6130 10.6130 12.0325 12.0325 13.5508 13.5508 k = 0.4397 0.2538-0.0000 ( 2672 PWs) bands (ev): -39.7980 -39.7980 -39.7657 -39.7657 -39.7336 -39.7336 -39.7017 -39.7017 -19.2284 -19.2284 -19.2262 -19.2262 -9.4099 -9.4099 -9.2806 -9.2806 -2.6813 -2.6813 -2.4034 -2.4034 -1.8675 -1.8675 -1.7861 -1.7861 -0.9087 -0.9087 -0.6161 -0.6161 3.4270 3.4270 4.3445 4.3445 4.4328 4.4328 5.1559 5.1559 10.2958 10.2958 10.6930 10.6930 11.9501 11.9501 13.5801 13.5801 k = 0.4483 0.2588-0.0000 ( 2680 PWs) bands (ev): -39.7969 -39.7969 -39.7646 -39.7646 -39.7344 -39.7344 -39.7025 -39.7025 -19.2270 -19.2270 -19.2247 -19.2247 -9.4055 -9.4055 -9.2828 -9.2828 -2.6643 -2.6643 -2.4251 -2.4251 -1.8721 -1.8721 -1.8020 -1.8020 -0.9135 -0.9135 -0.6199 -0.6199 3.4115 3.4115 4.3386 4.3386 4.4248 4.4248 5.1528 5.1528 10.2886 10.2886 10.7726 10.7726 11.8683 11.8683 13.6053 13.6053 k = 0.4569 0.2638-0.0000 ( 2680 PWs) bands (ev): -39.7959 -39.7959 -39.7636 -39.7636 -39.7352 -39.7352 -39.7032 -39.7032 -19.2257 -19.2257 -19.2234 -19.2234 -9.4015 -9.4015 -9.2847 -9.2847 -2.6472 -2.6472 -2.4464 -2.4464 -1.8750 -1.8750 -1.8164 -1.8164 -0.9176 -0.9176 -0.6232 -0.6232 3.3984 3.3984 4.3336 4.3336 4.4179 4.4179 5.1501 5.1501 10.2826 10.2826 10.8512 10.8512 11.7878 11.7878 13.6264 13.6264 k = 0.4655 0.2688-0.0000 ( 2688 PWs) bands (ev): -39.7950 -39.7950 -39.7628 -39.7628 -39.7358 -39.7358 -39.7038 -39.7038 -19.2247 -19.2247 -19.2223 -19.2223 -9.3981 -9.3981 -9.2865 -9.2865 -2.6298 -2.6298 -2.4672 -2.4672 -1.8762 -1.8762 -1.8292 -1.8292 -0.9209 -0.9209 -0.6259 -0.6259 3.3876 3.3876 4.3295 4.3295 4.4123 4.4123 5.1479 5.1479 10.2775 10.2775 10.9278 10.9278 11.7096 11.7096 13.6435 13.6435 k = 0.4741 0.2737-0.0000 ( 2694 PWs) bands (ev): -39.7944 -39.7944 -39.7622 -39.7622 -39.7362 -39.7362 -39.7043 -39.7043 -19.2238 -19.2238 -19.2215 -19.2215 -9.3954 -9.3954 -9.2879 -9.2879 -2.6124 -2.6124 -2.4874 -2.4874 -1.8759 -1.8759 -1.8405 -1.8405 -0.9235 -0.9235 -0.6280 -0.6280 3.3792 3.3792 4.3263 4.3263 4.4080 4.4080 5.1462 5.1462 10.2736 10.2736 11.0006 11.0006 11.6356 11.6356 13.6566 13.6566 k = 0.4828 0.2787-0.0000 ( 2686 PWs) bands (ev): -39.7939 -39.7939 -39.7617 -39.7617 -39.7366 -39.7366 -39.7047 -39.7047 -19.2232 -19.2232 -19.2208 -19.2208 -9.3934 -9.3934 -9.2890 -9.2890 -2.5954 -2.5954 -2.5064 -2.5064 -1.8741 -1.8741 -1.8501 -1.8501 -0.9254 -0.9254 -0.6295 -0.6295 3.3731 3.3731 4.3240 4.3240 4.4048 4.4048 5.1450 5.1450 10.2708 10.2708 11.0655 11.0655 11.5697 11.5697 13.6660 13.6660 k = 0.4914 0.2837-0.0000 ( 2682 PWs) bands (ev): -39.7936 -39.7936 -39.7614 -39.7614 -39.7368 -39.7368 -39.7049 -39.7049 -19.2229 -19.2229 -19.2205 -19.2205 -9.3921 -9.3921 -9.2897 -9.2897 -2.5802 -2.5802 -2.5228 -2.5228 -1.8708 -1.8708 -1.8581 -1.8581 -0.9265 -0.9265 -0.6304 -0.6304 3.3695 3.3695 4.3226 4.3226 4.4029 4.4029 5.1442 5.1442 10.2691 10.2691 11.1145 11.1145 11.5202 11.5202 13.6716 13.6716 k = 0.5000 0.2887-0.0000 ( 2666 PWs) bands (ev): -39.7935 -39.7935 -39.7613 -39.7613 -39.7369 -39.7369 -39.7050 -39.7050 -19.2228 -19.2228 -19.2203 -19.2203 -9.3917 -9.3917 -9.2899 -9.2899 -2.5727 -2.5727 -2.5308 -2.5308 -1.8677 -1.8677 -1.8627 -1.8627 -0.9269 -0.9269 -0.6307 -0.6307 3.3683 3.3683 4.3221 4.3221 4.4023 4.4023 5.1440 5.1440 10.2685 10.2685 11.1337 11.1337 11.5008 11.5008 13.6734 13.6734 k = 0.5000 0.2887-0.0000 ( 2666 PWs) bands (ev): -39.7935 -39.7935 -39.7613 -39.7613 -39.7369 -39.7369 -39.7050 -39.7050 -19.2228 -19.2228 -19.2203 -19.2203 -9.3917 -9.3917 -9.2899 -9.2899 -2.5727 -2.5727 -2.5308 -2.5308 -1.8677 -1.8677 -1.8627 -1.8627 -0.9269 -0.9269 -0.6307 -0.6307 3.3683 3.3683 4.3221 4.3221 4.4023 4.4023 5.1440 5.1440 10.2685 10.2685 11.1337 11.1337 11.5008 11.5008 13.6734 13.6734 k = 0.4951 0.2972-0.0000 ( 2674 PWs) bands (ev): -39.7935 -39.7935 -39.7613 -39.7613 -39.7369 -39.7369 -39.7050 -39.7050 -19.2227 -19.2227 -19.2203 -19.2203 -9.3916 -9.3916 -9.2899 -9.2899 -2.5725 -2.5725 -2.5305 -2.5305 -1.8673 -1.8673 -1.8629 -1.8629 -0.9278 -0.9278 -0.6318 -0.6318 3.3668 3.3668 4.3233 4.3233 4.4023 4.4023 5.1434 5.1434 10.2701 10.2701 11.1345 11.1345 11.5018 11.5018 13.6766 13.6766 k = 0.4902 0.3057-0.0000 ( 2682 PWs) bands (ev): -39.7934 -39.7934 -39.7612 -39.7612 -39.7370 -39.7370 -39.7051 -39.7051 -19.2226 -19.2226 -19.2202 -19.2202 -9.3914 -9.3914 -9.2899 -9.2899 -2.5719 -2.5719 -2.5296 -2.5296 -1.8663 -1.8663 -1.8636 -1.8636 -0.9306 -0.9306 -0.6351 -0.6351 3.3623 3.3623 4.3266 4.3266 4.4022 4.4022 5.1417 5.1417 10.2747 10.2747 11.1367 11.1367 11.5049 11.5049 13.6861 13.6861 k = 0.4853 0.3141-0.0000 ( 2692 PWs) bands (ev): -39.7932 -39.7932 -39.7611 -39.7611 -39.7371 -39.7371 -39.7052 -39.7052 -19.2224 -19.2224 -19.2200 -19.2200 -9.3910 -9.3910 -9.2899 -9.2899 -2.5710 -2.5710 -2.5281 -2.5281 -1.8651 -1.8651 -1.8642 -1.8642 -0.9351 -0.9351 -0.6407 -0.6407 3.3549 3.3549 4.3321 4.3321 4.4022 4.4022 5.1389 5.1389 10.2823 10.2823 11.1404 11.1404 11.5100 11.5100 13.7019 13.7019 k = 0.4804 0.3226-0.0000 ( 2688 PWs) bands (ev): -39.7930 -39.7930 -39.7609 -39.7609 -39.7372 -39.7372 -39.7054 -39.7054 -19.2221 -19.2221 -19.2198 -19.2198 -9.3905 -9.3905 -9.2899 -9.2899 -2.5697 -2.5697 -2.5260 -2.5260 -1.8663 -1.8663 -1.8621 -1.8621 -0.9415 -0.9415 -0.6484 -0.6484 3.3448 3.3448 4.3395 4.3395 4.4021 4.4021 5.1349 5.1349 10.2929 10.2929 11.1455 11.1455 11.5171 11.5171 13.7239 13.7239 k = 0.4755 0.3311-0.0000 ( 2684 PWs) bands (ev): -39.7928 -39.7928 -39.7606 -39.7606 -39.7374 -39.7374 -39.7056 -39.7056 -19.2218 -19.2218 -19.2194 -19.2194 -9.3898 -9.3898 -9.2899 -9.2899 -2.5681 -2.5681 -2.5233 -2.5233 -1.8683 -1.8683 -1.8590 -1.8590 -0.9495 -0.9495 -0.6582 -0.6582 3.3321 3.3321 4.3487 4.3487 4.4021 4.4021 5.1298 5.1298 10.3063 10.3063 11.1522 11.1522 11.5263 11.5263 13.7520 13.7520 k = 0.4706 0.3396-0.0000 ( 2678 PWs) bands (ev): -39.7924 -39.7924 -39.7603 -39.7603 -39.7377 -39.7377 -39.7058 -39.7058 -19.2213 -19.2213 -19.2190 -19.2190 -9.3889 -9.3889 -9.2899 -9.2899 -2.5661 -2.5661 -2.5201 -2.5201 -1.8707 -1.8707 -1.8552 -1.8552 -0.9592 -0.9592 -0.6700 -0.6700 3.3172 3.3172 4.3593 4.3593 4.4022 4.4022 5.1237 5.1237 10.3224 10.3224 11.1603 11.1603 11.5373 11.5373 13.7861 13.7861 k = 0.4657 0.3481-0.0000 ( 2678 PWs) bands (ev): -39.7920 -39.7920 -39.7599 -39.7599 -39.7380 -39.7380 -39.7061 -39.7061 -19.2208 -19.2208 -19.2186 -19.2186 -9.3879 -9.3879 -9.2899 -9.2899 -2.5637 -2.5637 -2.5163 -2.5163 -1.8736 -1.8736 -1.8507 -1.8507 -0.9704 -0.9704 -0.6839 -0.6839 3.3002 3.3002 4.3708 4.3708 4.4028 4.4028 5.1165 5.1165 10.3410 10.3410 11.1698 11.1698 11.5503 11.5503 13.8261 13.8261 k = 0.4608 0.3566-0.0000 ( 2682 PWs) bands (ev): -39.7916 -39.7916 -39.7594 -39.7594 -39.7383 -39.7383 -39.7065 -39.7065 -19.2202 -19.2202 -19.2181 -19.2181 -9.3868 -9.3868 -9.2899 -9.2899 -2.5610 -2.5610 -2.5119 -2.5119 -1.8770 -1.8770 -1.8455 -1.8455 -0.9831 -0.9831 -0.6996 -0.6996 3.2815 3.2815 4.3821 4.3821 4.4047 4.4047 5.1083 5.1083 10.3621 10.3621 11.1808 11.1808 11.5651 11.5651 13.8717 13.8717 k = 0.4559 0.3651-0.0000 ( 2678 PWs) bands (ev): -39.7911 -39.7911 -39.7589 -39.7589 -39.7387 -39.7387 -39.7069 -39.7069 -19.2196 -19.2196 -19.2175 -19.2175 -9.3855 -9.3855 -9.2900 -9.2900 -2.5579 -2.5579 -2.5071 -2.5071 -1.8809 -1.8809 -1.8396 -1.8396 -0.9970 -0.9970 -0.7172 -0.7172 3.2613 3.2613 4.3903 4.3903 4.4106 4.4106 5.0991 5.0991 10.3852 10.3852 11.1932 11.1932 11.5817 11.5817 13.9228 13.9228 k = 0.4510 0.3736-0.0000 ( 2686 PWs) bands (ev): -39.7905 -39.7905 -39.7584 -39.7584 -39.7392 -39.7392 -39.7073 -39.7073 -19.2189 -19.2189 -19.2168 -19.2168 -9.3840 -9.3840 -9.2901 -9.2901 -2.5546 -2.5546 -2.5017 -2.5017 -1.8853 -1.8853 -1.8331 -1.8331 -1.0122 -1.0122 -0.7365 -0.7365 3.2399 3.2399 4.3938 4.3938 4.4221 4.4221 5.0890 5.0890 10.4103 10.4103 11.2071 11.2071 11.5999 11.5999 13.9791 13.9791 k = 0.4461 0.3821-0.0000 ( 2678 PWs) bands (ev): -39.7899 -39.7899 -39.7578 -39.7578 -39.7396 -39.7396 -39.7078 -39.7078 -19.2181 -19.2181 -19.2161 -19.2161 -9.3825 -9.3825 -9.2902 -9.2902 -2.5508 -2.5508 -2.4959 -2.4959 -1.8902 -1.8902 -1.8259 -1.8259 -1.0284 -1.0284 -0.7574 -0.7574 3.2175 3.2175 4.3948 4.3948 4.4366 4.4366 5.0780 5.0780 10.4370 10.4370 11.2224 11.2224 11.6197 11.6197 14.0418 14.0470 k = 0.4412 0.3906-0.0000 ( 2678 PWs) bands (ev): -39.7892 -39.7892 -39.7571 -39.7571 -39.7402 -39.7402 -39.7084 -39.7084 -19.2173 -19.2173 -19.2154 -19.2154 -9.3808 -9.3808 -9.2903 -9.2903 -2.5468 -2.5468 -2.4896 -2.4896 -1.8957 -1.8957 -1.8180 -1.8180 -1.0455 -1.0455 -0.7799 -0.7799 3.1944 3.1944 4.3949 4.3949 4.4523 4.4523 5.0663 5.0663 10.4651 10.4651 11.2390 11.2390 11.6410 11.6410 14.0746 14.0746 k = 0.4363 0.3991-0.0000 ( 2678 PWs) bands (ev): -39.7884 -39.7884 -39.7564 -39.7564 -39.7407 -39.7407 -39.7089 -39.7089 -19.2165 -19.2165 -19.2146 -19.2146 -9.3789 -9.3789 -9.2905 -9.2905 -2.5425 -2.5425 -2.4829 -2.4829 -1.9016 -1.9016 -1.8095 -1.8095 -1.0633 -1.0633 -0.8036 -0.8036 3.1708 3.1708 4.3948 4.3948 4.4685 4.4685 5.0537 5.0537 10.4944 10.4944 11.2571 11.2571 11.6637 11.6637 14.0317 14.0317 k = 0.4314 0.4075-0.0000 ( 2674 PWs) bands (ev): -39.7876 -39.7876 -39.7556 -39.7556 -39.7413 -39.7413 -39.7096 -39.7096 -19.2156 -19.2156 -19.2138 -19.2138 -9.3770 -9.3770 -9.2908 -9.2908 -2.5378 -2.5378 -2.4759 -2.4759 -1.9082 -1.9082 -1.8003 -1.8003 -1.0816 -1.0816 -0.8287 -0.8287 3.1470 3.1470 4.3946 4.3946 4.4850 4.4850 5.0404 5.0404 10.5244 10.5244 11.2765 11.2765 11.6876 11.6876 13.9858 13.9858 k = 0.4265 0.4160-0.0000 ( 2672 PWs) bands (ev): -39.7868 -39.7868 -39.7548 -39.7548 -39.7420 -39.7420 -39.7102 -39.7102 -19.2147 -19.2147 -19.2129 -19.2129 -9.3749 -9.3749 -9.2911 -9.2911 -2.5329 -2.5329 -2.4685 -2.4685 -1.9153 -1.9153 -1.7904 -1.7904 -1.1004 -1.1004 -0.8548 -0.8548 3.1231 3.1231 4.3943 4.3943 4.5016 4.5016 5.0265 5.0265 10.5550 10.5550 11.2972 11.2972 11.7126 11.7126 13.9373 13.9373 k = 0.4216 0.4245-0.0000 ( 2670 PWs) bands (ev): -39.7859 -39.7859 -39.7539 -39.7539 -39.7427 -39.7427 -39.7110 -39.7110 -19.2137 -19.2137 -19.2121 -19.2121 -9.3727 -9.3727 -9.2915 -9.2915 -2.5277 -2.5277 -2.4608 -2.4608 -1.9230 -1.9230 -1.7800 -1.7800 -1.1193 -1.1193 -0.8819 -0.8819 3.0993 3.0993 4.3940 4.3940 4.5181 4.5181 5.0121 5.0121 10.5858 10.5858 11.3193 11.3193 11.7386 11.7386 13.8863 13.8863 k = 0.4167 0.4330-0.0000 ( 2674 PWs) bands (ev): -39.7850 -39.7850 -39.7530 -39.7530 -39.7435 -39.7435 -39.7117 -39.7117 -19.2127 -19.2127 -19.2112 -19.2112 -9.3704 -9.3704 -9.2920 -9.2920 -2.5222 -2.5222 -2.4529 -2.4529 -1.9314 -1.9314 -1.7689 -1.7689 -1.1382 -1.1382 -0.9098 -0.9098 3.0758 3.0758 4.3937 4.3937 4.5344 4.5344 4.9971 4.9971 10.6164 10.6164 11.3427 11.3427 11.7653 11.7653 13.8331 13.8331 k = 0.4118 0.4415-0.0000 ( 2678 PWs) bands (ev): -39.7840 -39.7840 -39.7520 -39.7520 -39.7443 -39.7443 -39.7125 -39.7125 -19.2118 -19.2118 -19.2103 -19.2103 -9.3679 -9.3679 -9.2925 -9.2925 -2.5164 -2.5164 -2.4449 -2.4449 -1.9403 -1.9403 -1.7573 -1.7573 -1.1569 -1.1569 -0.9384 -0.9384 3.0528 3.0528 4.3935 4.3935 4.5505 4.5505 4.9817 4.9817 10.6467 10.6467 11.3674 11.3674 11.7925 11.7925 13.7779 13.7779 k = 0.4069 0.4500-0.0000 ( 2670 PWs) bands (ev): -39.7829 -39.7829 -39.7510 -39.7510 -39.7451 -39.7451 -39.7134 -39.7134 -19.2108 -19.2108 -19.2094 -19.2094 -9.3654 -9.3654 -9.2932 -9.2932 -2.5104 -2.5104 -2.4367 -2.4367 -1.9497 -1.9497 -1.7451 -1.7451 -1.1753 -1.1753 -0.9675 -0.9675 3.0303 3.0303 4.3933 4.3933 4.5662 4.5662 4.9660 4.9660 10.6764 10.6764 11.3933 11.3933 11.8201 11.8201 13.7211 13.7211 k = 0.4020 0.4585-0.0000 ( 2670 PWs) bands (ev): -39.7819 -39.7819 -39.7500 -39.7500 -39.7460 -39.7460 -39.7143 -39.7143 -19.2098 -19.2098 -19.2085 -19.2085 -9.3628 -9.3628 -9.2939 -9.2939 -2.5042 -2.5042 -2.4285 -2.4285 -1.9597 -1.9597 -1.7324 -1.7324 -1.1931 -1.1931 -0.9970 -0.9970 3.0086 3.0086 4.3932 4.3932 4.5816 4.5816 4.9500 4.9500 10.7051 10.7051 11.4205 11.4205 11.8476 11.8476 13.6628 13.6628 k = 0.3971 0.4670-0.0000 ( 2670 PWs) bands (ev): -39.7807 -39.7807 -39.7489 -39.7489 -39.7469 -39.7469 -39.7153 -39.7153 -19.2088 -19.2088 -19.2077 -19.2077 -9.3601 -9.3601 -9.2948 -9.2948 -2.4976 -2.4976 -2.4204 -2.4204 -1.9703 -1.9703 -1.7192 -1.7192 -1.2102 -1.2102 -1.0266 -1.0266 2.9878 2.9878 4.3933 4.3933 4.5966 4.5966 4.9339 4.9339 10.7325 10.7325 11.4489 11.4489 11.8749 11.8749 13.6036 13.6036 k = 0.3922 0.4755-0.0000 ( 2674 PWs) bands (ev): -39.7796 -39.7796 -39.7479 -39.7479 -39.7477 -39.7477 -39.7162 -39.7162 -19.2079 -19.2079 -19.2068 -19.2068 -9.3574 -9.3574 -9.2958 -9.2958 -2.4909 -2.4909 -2.4125 -2.4125 -1.9812 -1.9812 -1.7056 -1.7056 -1.2264 -1.2264 -1.0562 -1.0562 2.9680 2.9680 4.3934 4.3934 4.6110 4.6110 4.9176 4.9176 10.7585 10.7585 11.4785 11.4785 11.9015 11.9015 13.5439 13.5439 k = 0.3873 0.4840-0.0000 ( 2670 PWs) bands (ev): -39.7784 -39.7784 -39.7489 -39.7489 -39.7466 -39.7466 -39.7173 -39.7173 -19.2069 -19.2069 -19.2060 -19.2060 -9.3545 -9.3545 -9.2970 -9.2970 -2.4839 -2.4839 -2.4049 -2.4049 -1.9925 -1.9925 -1.6916 -1.6916 -1.2416 -1.2416 -1.0856 -1.0856 2.9493 2.9493 4.3936 4.3936 4.6251 4.6251 4.9013 4.9013 10.7829 10.7829 11.5092 11.5092 11.9270 11.9270 13.4842 13.4842 k = 0.3824 0.4924-0.0000 ( 2662 PWs) bands (ev): -39.7771 -39.7771 -39.7500 -39.7500 -39.7453 -39.7453 -39.7184 -39.7184 -19.2060 -19.2060 -19.2052 -19.2052 -9.3516 -9.3516 -9.2982 -9.2982 -2.4767 -2.4767 -2.3977 -2.3977 -2.0041 -2.0041 -1.6773 -1.6773 -1.2556 -1.2556 -1.1147 -1.1147 2.9318 2.9318 4.3939 4.3939 4.6386 4.6386 4.8852 4.8852 10.8054 10.8054 11.5411 11.5411 11.9508 11.9508 13.4252 13.4252 k = 0.3775 0.5009-0.0000 ( 2664 PWs) bands (ev): -39.7758 -39.7758 -39.7511 -39.7511 -39.7441 -39.7441 -39.7195 -39.7195 -19.2052 -19.2052 -19.2044 -19.2044 -9.3486 -9.3486 -9.2996 -9.2996 -2.4693 -2.4693 -2.3911 -2.3911 -2.0156 -2.0156 -1.6629 -1.6629 -1.2683 -1.2683 -1.1431 -1.1431 2.9156 2.9156 4.3942 4.3942 4.6516 4.6516 4.8692 4.8692 10.8259 10.8259 11.5741 11.5741 11.9722 11.9722 13.3674 13.3674 k = 0.3725 0.5094-0.0000 ( 2664 PWs) bands (ev): -39.7745 -39.7745 -39.7523 -39.7523 -39.7428 -39.7428 -39.7206 -39.7206 -19.2044 -19.2044 -19.2037 -19.2037 -9.3456 -9.3456 -9.3012 -9.3012 -2.4617 -2.4617 -2.3853 -2.3853 -2.0271 -2.0271 -1.6485 -1.6485 -1.2797 -1.2797 -1.1707 -1.1707 2.9009 2.9009 4.3947 4.3947 4.6642 4.6642 4.8535 4.8535 10.8443 10.8443 11.6082 11.6082 11.9906 11.9906 13.3119 13.3119 k = 0.3676 0.5179-0.0000 ( 2664 PWs) bands (ev): -39.7732 -39.7732 -39.7535 -39.7535 -39.7415 -39.7415 -39.7219 -39.7219 -19.2037 -19.2037 -19.2031 -19.2031 -9.3426 -9.3426 -9.3030 -9.3030 -2.4539 -2.4539 -2.3805 -2.3805 -2.0382 -2.0382 -1.6342 -1.6342 -1.2896 -1.2896 -1.1971 -1.1971 2.8876 2.8876 4.3952 4.3952 4.6762 4.6762 4.8383 4.8383 10.8605 10.8605 11.6433 11.6433 12.0051 12.0051 13.2594 13.2594 k = 0.3627 0.5264-0.0000 ( 2664 PWs) bands (ev): -39.7718 -39.7718 -39.7547 -39.7547 -39.7401 -39.7401 -39.7231 -39.7231 -19.2030 -19.2030 -19.2025 -19.2025 -9.3395 -9.3395 -9.3049 -9.3049 -2.4459 -2.4459 -2.3769 -2.3769 -2.0487 -2.0487 -1.6203 -1.6203 -1.2981 -1.2981 -1.2220 -1.2220 2.8759 2.8759 4.3958 4.3958 4.6877 4.6877 4.8235 4.8235 10.8745 10.8745 11.6794 11.6794 12.0146 12.0146 13.2112 13.2112 k = 0.3578 0.5349-0.0000 ( 2668 PWs) bands (ev): -39.7704 -39.7704 -39.7560 -39.7560 -39.7387 -39.7387 -39.7244 -39.7244 -19.2024 -19.2024 -19.2020 -19.2020 -9.3363 -9.3363 -9.3070 -9.3070 -2.4377 -2.4377 -2.3749 -2.3749 -2.0582 -2.0582 -1.6072 -1.6072 -1.3051 -1.3051 -1.2449 -1.2449 2.8658 2.8658 4.3964 4.3964 4.6986 4.6986 4.8095 4.8095 10.8861 10.8861 11.7165 11.7165 12.0180 12.0180 13.1683 13.1683 k = 0.3529 0.5434-0.0000 ( 2670 PWs) bands (ev): -39.7690 -39.7690 -39.7573 -39.7573 -39.7373 -39.7373 -39.7257 -39.7257 -19.2019 -19.2019 -19.2016 -19.2016 -9.3332 -9.3332 -9.3093 -9.3093 -2.4293 -2.4293 -2.3746 -2.3746 -2.0664 -2.0664 -1.5951 -1.5951 -1.3106 -1.3106 -1.2652 -1.2652 2.8575 2.8575 4.3970 4.3970 4.7090 4.7090 4.7962 4.7962 10.8955 10.8955 11.7546 11.7546 12.0144 12.0144 13.1320 13.1320 k = 0.3480 0.5519-0.0000 ( 2679 PWs) bands (ev): -39.7675 -39.7675 -39.7587 -39.7587 -39.7359 -39.7359 -39.7271 -39.7271 -19.2015 -19.2015 -19.2013 -19.2013 -9.3300 -9.3300 -9.3118 -9.3118 -2.4207 -2.4207 -2.3762 -2.3762 -2.0732 -2.0732 -1.5848 -1.5848 -1.3149 -1.3149 -1.2821 -1.2821 2.8509 2.8509 4.3975 4.3975 4.7188 4.7188 4.7840 4.7840 10.9026 10.9026 11.7936 11.7936 12.0027 12.0027 13.1030 13.1030 k = 0.3431 0.5604-0.0000 ( 2679 PWs) bands (ev): -39.7661 -39.7661 -39.7601 -39.7601 -39.7344 -39.7344 -39.7285 -39.7285 -19.2012 -19.2012 -19.2011 -19.2011 -9.3268 -9.3268 -9.3144 -9.3144 -2.4120 -2.4120 -2.3800 -2.3800 -2.0781 -2.0781 -1.5767 -1.5767 -1.3182 -1.3182 -1.2947 -1.2947 2.8462 2.8462 4.3979 4.3979 4.7276 4.7276 4.7733 4.7733 10.9076 10.9076 11.8334 11.8334 11.9825 11.9825 13.0823 13.0823 k = 0.3382 0.5689-0.0000 ( 2679 PWs) bands (ev): -39.7646 -39.7646 -39.7616 -39.7616 -39.7330 -39.7330 -39.7300 -39.7300 -19.2010 -19.2010 -19.2009 -19.2009 -9.3236 -9.3236 -9.3173 -9.3173 -2.4031 -2.4031 -2.3859 -2.3859 -2.0811 -2.0811 -1.5716 -1.5716 -1.3208 -1.3208 -1.3019 -1.3019 2.8433 2.8433 4.3982 4.3982 4.7347 4.7347 4.7649 4.7649 10.9105 10.9105 11.8741 11.8741 11.9534 11.9534 13.0700 13.0700 k = 0.3333 0.5774-0.0000 ( 2679 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3941 -2.3941 -2.3939 -2.3939 -2.0821 -2.0821 -1.5698 -1.5698 -1.3220 -1.3220 -1.3041 -1.3041 2.8423 2.8423 4.3983 4.3983 4.7377 4.7377 4.7615 4.7615 10.9114 10.9114 11.9151 11.9151 11.9162 11.9162 13.0660 13.0660 k = 0.3333 0.5774-0.0000 ( 2679 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3941 -2.3941 -2.3939 -2.3939 -2.0821 -2.0821 -1.5698 -1.5698 -1.3220 -1.3220 -1.3041 -1.3041 2.8423 2.8423 4.3983 4.3983 4.7377 4.7377 4.7615 4.7615 10.9114 10.9114 11.9151 11.9151 11.9162 11.9162 13.0660 13.0660 k = 0.3284 0.5687-0.0000 ( 2679 PWs) bands (ev): -39.7646 -39.7646 -39.7615 -39.7615 -39.7330 -39.7330 -39.7299 -39.7299 -19.2010 -19.2010 -19.2009 -19.2009 -9.3237 -9.3237 -9.3172 -9.3172 -2.4043 -2.4043 -2.3847 -2.3847 -2.0811 -2.0811 -1.5716 -1.5716 -1.3204 -1.3204 -1.3023 -1.3023 2.8433 2.8433 4.3982 4.3982 4.7351 4.7351 4.7645 4.7645 10.9105 10.9105 11.8691 11.8691 11.9585 11.9585 13.0699 13.0699 k = 0.3234 0.5601-0.0000 ( 2681 PWs) bands (ev): -39.7662 -39.7662 -39.7600 -39.7600 -39.7346 -39.7346 -39.7284 -39.7284 -19.2012 -19.2012 -19.2011 -19.2011 -9.3273 -9.3273 -9.3140 -9.3140 -2.4165 -2.4165 -2.3751 -2.3751 -2.0782 -2.0782 -1.5766 -1.5766 -1.3152 -1.3152 -1.2976 -1.2976 2.8464 2.8464 4.3978 4.3978 4.7303 4.7303 4.7710 4.7710 10.9079 10.9079 11.8152 11.8152 12.0022 12.0022 13.0809 13.0809 k = 0.3184 0.5515-0.0000 ( 2673 PWs) bands (ev): -39.7679 -39.7679 -39.7584 -39.7584 -39.7362 -39.7362 -39.7268 -39.7268 -19.2016 -19.2016 -19.2014 -19.2014 -9.3311 -9.3311 -9.3108 -9.3108 -2.4303 -2.4303 -2.3655 -2.3655 -2.0735 -2.0735 -1.5841 -1.5841 -1.3070 -1.3070 -1.2900 -1.2900 2.8515 2.8515 4.3971 4.3971 4.7258 4.7258 4.7783 4.7783 10.9036 10.9036 11.7550 11.7550 12.0465 12.0465 13.0982 13.0982 k = 0.3134 0.5429-0.0000 ( 2665 PWs) bands (ev): -39.7695 -39.7695 -39.7568 -39.7568 -39.7379 -39.7379 -39.7252 -39.7252 -19.2020 -19.2020 -19.2018 -19.2018 -9.3351 -9.3351 -9.3076 -9.3076 -2.4454 -2.4454 -2.3557 -2.3557 -2.0672 -2.0672 -1.5933 -1.5933 -1.2970 -1.2970 -1.2794 -1.2794 2.8587 2.8587 4.3961 4.3961 4.7224 4.7224 4.7858 4.7858 10.8980 10.8980 11.6895 11.6895 12.0915 12.0915 13.1207 13.1207 k = 0.3085 0.5343-0.0000 ( 2665 PWs) bands (ev): -39.7713 -39.7713 -39.7552 -39.7552 -39.7396 -39.7396 -39.7236 -39.7236 -19.2027 -19.2027 -19.2024 -19.2024 -9.3393 -9.3393 -9.3045 -9.3045 -2.4616 -2.4616 -2.3458 -2.3458 -2.0595 -2.0595 -1.6033 -1.6033 -1.2861 -1.2861 -1.2655 -1.2655 2.8681 2.8681 4.3948 4.3948 4.7204 4.7204 4.7933 4.7933 10.8911 10.8911 11.6195 11.6195 12.1370 12.1370 13.1475 13.1475 k = 0.3035 0.5256-0.0000 ( 2665 PWs) bands (ev): -39.7730 -39.7730 -39.7536 -39.7536 -39.7413 -39.7413 -39.7220 -39.7220 -19.2035 -19.2035 -19.2031 -19.2031 -9.3437 -9.3437 -9.3014 -9.3014 -2.4786 -2.4786 -2.3357 -2.3357 -2.0504 -2.0504 -1.6136 -1.6136 -1.2746 -1.2746 -1.2488 -1.2488 2.8796 2.8796 4.3932 4.3932 4.7200 4.7200 4.8006 4.8006 10.8832 10.8832 11.5460 11.5460 12.1832 12.1832 13.1779 13.1779 k = 0.2985 0.5170-0.0000 ( 2667 PWs) bands (ev): -39.7748 -39.7748 -39.7520 -39.7520 -39.7430 -39.7430 -39.7204 -39.7204 -19.2044 -19.2044 -19.2040 -19.2040 -9.3484 -9.3484 -9.2984 -9.2984 -2.4963 -2.4963 -2.3256 -2.3256 -2.0402 -2.0402 -1.6237 -1.6237 -1.2622 -1.2622 -1.2300 -1.2300 2.8932 2.8932 4.3914 4.3914 4.7212 4.7212 4.8079 4.8079 10.8744 10.8744 11.4697 11.4697 12.2298 12.2298 13.2112 13.2112 k = 0.2935 0.5084-0.0000 ( 2675 PWs) bands (ev): -39.7766 -39.7766 -39.7504 -39.7504 -39.7448 -39.7448 -39.7188 -39.7188 -19.2055 -19.2055 -19.2050 -19.2050 -9.3533 -9.3533 -9.2954 -9.2954 -2.5144 -2.5144 -2.3153 -2.3153 -2.0288 -2.0288 -1.6330 -1.6330 -1.2490 -1.2490 -1.2097 -1.2097 2.9089 2.9089 4.3894 4.3894 4.7239 4.7239 4.8150 4.8150 10.8648 10.8648 11.3911 11.3911 12.2769 12.2769 13.2469 13.2469 k = 0.2886 0.4998-0.0000 ( 2671 PWs) bands (ev): -39.7785 -39.7785 -39.7488 -39.7488 -39.7466 -39.7466 -39.7172 -39.7172 -19.2067 -19.2067 -19.2062 -19.2062 -9.3584 -9.3584 -9.2924 -9.2924 -2.5328 -2.5328 -2.3050 -2.3050 -2.0163 -2.0163 -1.6414 -1.6414 -1.2347 -1.2347 -1.1881 -1.1881 2.9268 2.9268 4.3874 4.3874 4.7281 4.7281 4.8221 4.8221 10.8547 10.8547 11.3108 11.3108 12.3245 12.3245 13.2845 13.2845 k = 0.2836 0.4912-0.0000 ( 2677 PWs) bands (ev): -39.7803 -39.7803 -39.7485 -39.7485 -39.7472 -39.7472 -39.7156 -39.7156 -19.2081 -19.2081 -19.2076 -19.2076 -9.3636 -9.3636 -9.2896 -9.2896 -2.5514 -2.5514 -2.2947 -2.2947 -2.0028 -2.0028 -1.6486 -1.6486 -1.2195 -1.2195 -1.1657 -1.1657 2.9468 2.9468 4.3853 4.3853 4.7338 4.7338 4.8290 4.8290 10.8442 10.8442 11.2292 11.2292 12.3723 12.3723 13.3236 13.3236 k = 0.2786 0.4826-0.0000 ( 2677 PWs) bands (ev): -39.7822 -39.7822 -39.7504 -39.7504 -39.7457 -39.7457 -39.7140 -39.7140 -19.2096 -19.2096 -19.2091 -19.2091 -9.3691 -9.3691 -9.2868 -9.2868 -2.5700 -2.5700 -2.2843 -2.2843 -1.9883 -1.9883 -1.6544 -1.6544 -1.2034 -1.2034 -1.1426 -1.1426 2.9689 2.9689 4.3834 4.3834 4.7410 4.7410 4.8359 4.8359 10.8335 10.8335 11.1466 11.1466 12.4205 12.4205 13.3640 13.3640 k = 0.2736 0.4739-0.0000 ( 2681 PWs) bands (ev): -39.7842 -39.7842 -39.7522 -39.7522 -39.7441 -39.7441 -39.7124 -39.7124 -19.2113 -19.2113 -19.2108 -19.2108 -9.3748 -9.3748 -9.2841 -9.2841 -2.5887 -2.5887 -2.2738 -2.2738 -1.9727 -1.9727 -1.6586 -1.6586 -1.1865 -1.1865 -1.1190 -1.1190 2.9931 2.9931 4.3817 4.3817 4.7494 4.7494 4.8428 4.8428 10.8226 10.8226 11.0634 11.0634 12.4690 12.4690 13.4053 13.4053 k = 0.2687 0.4653-0.0000 ( 2681 PWs) bands (ev): -39.7861 -39.7861 -39.7542 -39.7542 -39.7425 -39.7425 -39.7108 -39.7108 -19.2132 -19.2132 -19.2127 -19.2127 -9.3807 -9.3807 -9.2814 -9.2814 -2.6073 -2.6073 -2.2634 -2.2634 -1.9560 -1.9560 -1.6613 -1.6613 -1.1688 -1.1688 -1.0949 -1.0949 3.0194 3.0194 4.3803 4.3803 4.7591 4.7591 4.8496 4.8496 10.8117 10.8117 10.9798 10.9798 12.5176 12.5176 13.4473 13.4473 k = 0.2637 0.4567-0.0000 ( 2679 PWs) bands (ev): -39.7881 -39.7881 -39.7561 -39.7561 -39.7409 -39.7409 -39.7092 -39.7092 -19.2152 -19.2152 -19.2147 -19.2147 -9.3867 -9.3867 -9.2788 -9.2788 -2.6258 -2.6258 -2.2529 -2.2529 -1.9383 -1.9383 -1.6623 -1.6623 -1.1503 -1.1503 -1.0705 -1.0705 3.0477 3.0477 4.3792 4.3792 4.7700 4.7700 4.8564 4.8564 10.8010 10.8010 10.8961 10.8961 12.5664 12.5664 13.4899 13.4899 k = 0.2587 0.4481-0.0000 ( 2673 PWs) bands (ev): -39.7901 -39.7901 -39.7581 -39.7581 -39.7394 -39.7394 -39.7076 -39.7076 -19.2174 -19.2174 -19.2169 -19.2169 -9.3929 -9.3929 -9.2763 -9.2763 -2.6442 -2.6442 -2.2425 -2.2425 -1.9194 -1.9194 -1.6614 -1.6614 -1.1311 -1.1311 -1.0459 -1.0459 3.0780 3.0780 4.3787 4.3787 4.7819 4.7819 4.8633 4.8633 10.7903 10.7903 10.8125 10.8125 12.6153 12.6153 13.5329 13.5329 k = 0.2537 0.4395-0.0000 ( 2667 PWs) bands (ev): -39.7922 -39.7922 -39.7600 -39.7600 -39.7379 -39.7379 -39.7060 -39.7060 -19.2197 -19.2197 -19.2192 -19.2192 -9.3993 -9.3993 -9.2739 -9.2739 -2.6623 -2.6623 -2.2322 -2.2322 -1.8995 -1.8995 -1.6588 -1.6588 -1.1114 -1.1114 -1.0211 -1.0211 3.1103 3.1103 4.3788 4.3788 4.7949 4.7949 4.8702 4.8702 10.7285 10.7285 10.7805 10.7805 12.6643 12.6643 13.5762 13.5762 k = 0.2488 0.4309-0.0000 ( 2665 PWs) bands (ev): -39.7942 -39.7942 -39.7620 -39.7620 -39.7363 -39.7363 -39.7044 -39.7044 -19.2222 -19.2222 -19.2218 -19.2218 -9.4059 -9.4059 -9.2716 -9.2716 -2.6803 -2.6803 -2.2218 -2.2218 -1.8783 -1.8783 -1.6543 -1.6543 -1.0912 -1.0912 -0.9961 -0.9961 3.1445 3.1445 4.3794 4.3794 4.8087 4.8087 4.8771 4.8771 10.6453 10.6453 10.7707 10.7707 12.7132 12.7132 13.6197 13.6197 k = 0.2438 0.4222-0.0000 ( 2669 PWs) bands (ev): -39.7963 -39.7963 -39.7640 -39.7640 -39.7348 -39.7348 -39.7029 -39.7029 -19.2249 -19.2249 -19.2244 -19.2244 -9.4125 -9.4125 -9.2694 -9.2694 -2.6981 -2.6981 -2.2116 -2.2116 -1.8559 -1.8559 -1.6479 -1.6479 -1.0704 -1.0704 -0.9711 -0.9711 3.1806 3.1806 4.3808 4.3808 4.8234 4.8234 4.8842 4.8842 10.5624 10.5624 10.7614 10.7614 12.7620 12.7620 13.6633 13.6633 k = 0.2388 0.4136-0.0000 ( 2665 PWs) bands (ev): -39.7984 -39.7984 -39.7660 -39.7660 -39.7333 -39.7333 -39.7014 -39.7014 -19.2277 -19.2277 -19.2273 -19.2273 -9.4194 -9.4194 -9.2673 -9.2673 -2.7156 -2.7156 -2.2015 -2.2015 -1.8323 -1.8323 -1.6396 -1.6396 -1.0493 -1.0493 -0.9460 -0.9460 3.2185 3.2185 4.3829 4.3829 4.8388 4.8388 4.8913 4.8913 10.4801 10.4801 10.7527 10.7527 12.8107 12.8107 13.7068 13.7068 k = 0.2338 0.4050-0.0000 ( 2661 PWs) bands (ev): -39.8005 -39.8005 -39.7680 -39.7680 -39.7319 -39.7319 -39.6998 -39.6998 -19.2306 -19.2306 -19.2302 -19.2302 -9.4263 -9.4263 -9.2652 -9.2652 -2.7329 -2.7329 -2.1914 -2.1914 -1.8075 -1.8075 -1.6294 -1.6294 -1.0279 -1.0279 -0.9209 -0.9209 3.2582 3.2582 4.3858 4.3858 4.8549 4.8549 4.8987 4.8987 10.3985 10.3985 10.7446 10.7446 12.8592 12.8592 13.7504 13.7504 k = 0.2289 0.3964-0.0000 ( 2661 PWs) bands (ev): -39.8026 -39.8026 -39.7701 -39.7701 -39.7304 -39.7304 -39.6983 -39.6983 -19.2337 -19.2337 -19.2333 -19.2333 -9.4333 -9.4333 -9.2633 -9.2633 -2.7499 -2.7499 -2.1815 -2.1815 -1.7814 -1.7814 -1.6173 -1.6173 -1.0061 -1.0061 -0.8959 -0.8959 3.2995 3.2995 4.3896 4.3896 4.8715 4.8715 4.9062 4.9062 10.3176 10.3176 10.7371 10.7371 12.9074 12.9074 13.7936 13.7936 k = 0.2239 0.3878-0.0000 ( 2673 PWs) bands (ev): -39.8047 -39.8047 -39.7721 -39.7721 -39.7290 -39.7290 -39.6968 -39.6968 -19.2369 -19.2369 -19.2366 -19.2366 -9.4405 -9.4405 -9.2615 -9.2615 -2.7667 -2.7667 -2.1716 -2.1716 -1.7540 -1.7540 -1.6034 -1.6034 -0.9842 -0.9842 -0.8710 -0.8710 3.3426 3.3426 4.3942 4.3942 4.8884 4.8884 4.9141 4.9141 10.2376 10.2376 10.7302 10.7302 12.9554 12.9554 13.7691 13.7691 k = 0.2189 0.3792-0.0000 ( 2677 PWs) bands (ev): -39.8068 -39.8068 -39.7741 -39.7741 -39.7276 -39.7276 -39.6954 -39.6954 -19.2403 -19.2403 -19.2400 -19.2400 -9.4477 -9.4477 -9.2597 -9.2597 -2.7833 -2.7833 -2.1619 -2.1619 -1.7253 -1.7253 -1.5875 -1.5875 -0.9621 -0.9621 -0.8462 -0.8462 3.3871 3.3871 4.3997 4.3997 4.9052 4.9052 4.9229 4.9229 10.1584 10.1584 10.7240 10.7240 13.0030 13.0030 13.6789 13.6789 k = 0.2139 0.3705-0.0000 ( 2669 PWs) bands (ev): -39.8089 -39.8089 -39.7762 -39.7762 -39.7262 -39.7262 -39.6939 -39.6939 -19.2438 -19.2438 -19.2435 -19.2435 -9.4550 -9.4550 -9.2581 -9.2581 -2.7996 -2.7996 -2.1523 -2.1523 -1.6953 -1.6953 -1.5699 -1.5699 -0.9398 -0.9398 -0.8215 -0.8215 3.4332 3.4332 4.4061 4.4061 4.9202 4.9202 4.9340 4.9340 10.0802 10.0802 10.7184 10.7184 13.0501 13.0501 13.5875 13.5875 k = 0.2090 0.3619-0.0000 ( 2677 PWs) bands (ev): -39.8110 -39.8110 -39.7782 -39.7782 -39.7249 -39.7249 -39.6925 -39.6925 -19.2474 -19.2474 -19.2472 -19.2472 -9.4623 -9.4623 -9.2565 -9.2565 -2.8156 -2.8156 -2.1429 -2.1429 -1.6641 -1.6641 -1.5504 -1.5504 -0.9176 -0.9176 -0.7970 -0.7970 3.4807 3.4807 4.4134 4.4134 4.9317 4.9317 4.9491 4.9491 10.0031 10.0031 10.7135 10.7135 13.0968 13.0968 13.4952 13.4952 k = 0.2040 0.3533-0.0000 ( 2681 PWs) bands (ev): -39.8132 -39.8132 -39.7803 -39.7803 -39.7235 -39.7235 -39.6911 -39.6911 -19.2511 -19.2511 -19.2509 -19.2509 -9.4697 -9.4697 -9.2551 -9.2551 -2.8314 -2.8314 -2.1336 -2.1336 -1.6315 -1.6315 -1.5293 -1.5293 -0.8953 -0.8953 -0.7728 -0.7728 3.5295 3.5295 4.4217 4.4217 4.9410 4.9410 4.9669 4.9669 9.9271 9.9271 10.7091 10.7091 13.1429 13.1429 13.4022 13.4022 k = 0.1990 0.3447-0.0000 ( 2685 PWs) bands (ev): -39.8153 -39.8153 -39.7823 -39.7823 -39.7222 -39.7222 -39.6898 -39.6898 -19.2549 -19.2549 -19.2548 -19.2548 -9.4772 -9.4772 -9.2537 -9.2537 -2.8470 -2.8470 -2.1244 -2.1244 -1.5978 -1.5978 -1.5064 -1.5064 -0.8730 -0.8730 -0.7488 -0.7488 3.5795 3.5795 4.4308 4.4308 4.9497 4.9497 4.9858 4.9858 9.8522 9.8522 10.7052 10.7052 13.1884 13.1884 13.3086 13.3086 k = 0.1940 0.3361-0.0000 ( 2679 PWs) bands (ev): -39.8174 -39.8174 -39.7843 -39.7843 -39.7210 -39.7210 -39.6884 -39.6884 -19.2588 -19.2588 -19.2587 -19.2587 -9.4846 -9.4846 -9.2525 -9.2525 -2.8622 -2.8622 -2.1153 -2.1153 -1.5627 -1.5627 -1.4819 -1.4819 -0.8508 -0.8508 -0.7250 -0.7250 3.6307 3.6307 4.4409 4.4409 4.9583 4.9583 5.0051 5.0051 9.7785 9.7785 10.7018 10.7018 13.2144 13.2144 13.2333 13.2333 k = 0.1891 0.3275-0.0000 ( 2681 PWs) bands (ev): -39.8195 -39.8195 -39.7863 -39.7863 -39.7197 -39.7197 -39.6871 -39.6871 -19.2627 -19.2627 -19.2627 -19.2627 -9.4921 -9.4921 -9.2513 -9.2513 -2.8773 -2.8773 -2.1064 -2.1064 -1.5265 -1.5265 -1.4559 -1.4559 -0.8288 -0.8288 -0.7015 -0.7015 3.6829 3.6829 4.4519 4.4519 4.9669 4.9669 5.0248 5.0248 9.7061 9.7061 10.6988 10.6988 13.1201 13.1201 13.2772 13.2772 k = 0.1841 0.3188-0.0000 ( 2677 PWs) bands (ev): -39.8216 -39.8216 -39.7883 -39.7883 -39.7185 -39.7185 -39.6858 -39.6858 -19.2668 -19.2668 -19.2668 -19.2668 -9.4995 -9.4995 -9.2502 -9.2502 -2.8920 -2.8920 -2.0976 -2.0976 -1.4891 -1.4891 -1.4284 -1.4284 -0.8069 -0.8069 -0.6783 -0.6783 3.7360 3.7360 4.4638 4.4638 4.9756 4.9756 5.0446 5.0446 9.6350 9.6350 10.6961 10.6961 13.0256 13.0256 13.2576 13.2576 k = 0.1791 0.3102-0.0000 ( 2681 PWs) bands (ev): -39.8237 -39.8237 -39.7903 -39.7903 -39.7173 -39.7173 -39.6845 -39.6845 -19.2710 -19.2710 -19.2709 -19.2709 -9.5070 -9.5070 -9.2493 -9.2493 -2.9065 -2.9065 -2.0890 -2.0890 -1.4507 -1.4507 -1.3994 -1.3994 -0.7852 -0.7852 -0.6555 -0.6555 3.7900 3.7900 4.4765 4.4765 4.9845 4.9845 5.0645 5.0645 9.5651 9.5651 10.6935 10.6935 12.9310 12.9310 13.1558 13.1558 k = 0.1741 0.3016-0.0000 ( 2679 PWs) bands (ev): -39.8257 -39.8257 -39.7922 -39.7922 -39.7162 -39.7162 -39.6833 -39.6833 -19.2752 -19.2752 -19.2751 -19.2751 -9.5144 -9.5144 -9.2484 -9.2484 -2.9207 -2.9207 -2.0805 -2.0805 -1.4111 -1.4111 -1.3691 -1.3691 -0.7637 -0.7637 -0.6330 -0.6330 3.8447 3.8447 4.4901 4.4901 4.9935 4.9935 5.0843 5.0843 9.4967 9.4967 10.6909 10.6909 12.8365 12.8365 13.0553 13.0553 k = 0.1692 0.2930-0.0000 ( 2675 PWs) bands (ev): -39.8277 -39.8277 -39.7942 -39.7942 -39.7151 -39.7151 -39.6821 -39.6821 -19.2795 -19.2795 -19.2793 -19.2793 -9.5217 -9.5217 -9.2476 -9.2476 -2.9347 -2.9347 -2.0722 -2.0722 -1.3706 -1.3706 -1.3375 -1.3375 -0.7425 -0.7425 -0.6109 -0.6109 3.8999 3.8999 4.5046 4.5046 5.0027 5.0027 5.1042 5.1042 9.4296 9.4296 10.6881 10.6881 12.7422 12.7422 12.9564 12.9564 k = 0.1642 0.2844-0.0000 ( 2683 PWs) bands (ev): -39.8298 -39.8298 -39.7961 -39.7961 -39.7140 -39.7140 -39.6809 -39.6809 -19.2838 -19.2838 -19.2836 -19.2836 -9.5290 -9.5290 -9.2468 -9.2468 -2.9484 -2.9484 -2.0640 -2.0640 -1.3292 -1.3292 -1.3048 -1.3048 -0.7216 -0.7216 -0.5893 -0.5893 3.9556 3.9556 4.5198 4.5198 5.0121 5.0121 5.1238 5.1238 9.3640 9.3640 10.6851 10.6851 12.6482 12.6482 12.8595 12.8595 k = 0.1592 0.2757-0.0000 ( 2677 PWs) bands (ev): -39.8318 -39.8318 -39.7980 -39.7980 -39.7129 -39.7129 -39.6798 -39.6798 -19.2881 -19.2881 -19.2878 -19.2878 -9.5363 -9.5363 -9.2462 -9.2462 -2.9618 -2.9618 -2.0560 -2.0560 -1.2870 -1.2870 -1.2709 -1.2709 -0.7010 -0.7010 -0.5680 -0.5680 4.0117 4.0117 4.5358 4.5358 5.0216 5.0216 5.1433 5.1433 9.2998 9.2998 10.6815 10.6815 12.5547 12.5547 12.7649 12.7649 k = 0.1542 0.2671-0.0000 ( 2677 PWs) bands (ev): -39.8337 -39.8337 -39.7999 -39.7999 -39.7119 -39.7119 -39.6787 -39.6787 -19.2925 -19.2925 -19.2921 -19.2921 -9.5434 -9.5434 -9.2456 -9.2456 -2.9749 -2.9749 -2.0481 -2.0481 -1.2443 -1.2443 -1.2359 -1.2359 -0.6808 -0.6808 -0.5472 -0.5472 4.0679 4.0679 4.5525 4.5525 5.0313 5.0313 5.1626 5.1626 9.2371 9.2371 10.6771 10.6771 12.4617 12.4617 12.6730 12.6730 k = 0.1493 0.2585-0.0000 ( 2673 PWs) bands (ev): -39.8357 -39.8357 -39.8017 -39.8017 -39.7109 -39.7109 -39.6776 -39.6776 -19.2968 -19.2968 -19.2964 -19.2964 -9.5504 -9.5504 -9.2451 -9.2451 -2.9877 -2.9877 -2.0405 -2.0405 -1.2027 -1.2027 -1.1982 -1.1982 -0.6610 -0.6610 -0.5268 -0.5268 4.1242 4.1242 4.5699 4.5699 5.0413 5.0413 5.1816 5.1816 9.1759 9.1759 10.6717 10.6717 12.3694 12.3694 12.5840 12.5840 k = 0.1443 0.2499-0.0000 ( 2675 PWs) bands (ev): -39.8376 -39.8376 -39.8035 -39.8035 -39.7099 -39.7099 -39.6766 -39.6766 -19.3012 -19.3012 -19.3007 -19.3007 -9.5574 -9.5574 -9.2447 -9.2447 -3.0002 -3.0002 -2.0330 -2.0330 -1.1650 -1.1650 -1.1552 -1.1552 -0.6416 -0.6416 -0.5069 -0.5069 4.1804 4.1804 4.5879 4.5879 5.0514 5.0514 5.2002 5.2002 9.1162 9.1162 10.6651 10.6651 12.2779 12.2779 12.4984 12.4984 k = 0.1393 0.2413-0.0000 ( 2691 PWs) bands (ev): -39.8394 -39.8394 -39.8053 -39.8053 -39.7090 -39.7090 -39.6756 -39.6756 -19.3055 -19.3055 -19.3050 -19.3050 -9.5642 -9.5642 -9.2443 -9.2443 -3.0123 -3.0123 -2.0257 -2.0257 -1.1277 -1.1277 -1.1107 -1.1107 -0.6226 -0.6226 -0.4875 -0.4875 4.2363 4.2363 4.6065 4.6065 5.0618 5.0618 5.2184 5.2184 9.0581 9.0581 10.6569 10.6569 12.1874 12.1874 12.4165 12.4165 k = 0.1343 0.2327-0.0000 ( 2687 PWs) bands (ev): -39.8412 -39.8412 -39.8070 -39.8070 -39.7081 -39.7081 -39.6746 -39.6746 -19.3098 -19.3098 -19.3092 -19.3092 -9.5709 -9.5709 -9.2440 -9.2440 -3.0242 -3.0242 -2.0186 -2.0186 -1.0901 -1.0901 -1.0658 -1.0658 -0.6041 -0.6041 -0.4687 -0.4687 4.2917 4.2917 4.6256 4.6256 5.0725 5.0725 5.2361 5.2361 9.0016 9.0016 10.6468 10.6468 12.0979 12.0979 12.3385 12.3385 k = 0.1294 0.2240-0.0000 ( 2681 PWs) bands (ev): -39.8430 -39.8430 -39.8087 -39.8087 -39.7073 -39.7073 -39.6736 -39.6736 -19.3140 -19.3140 -19.3134 -19.3134 -9.5774 -9.5774 -9.2438 -9.2438 -3.0357 -3.0357 -2.0117 -2.0117 -1.0520 -1.0520 -1.0206 -1.0206 -0.5860 -0.5860 -0.4503 -0.4503 4.3466 4.3466 4.6451 4.6451 5.0834 5.0834 5.2533 5.2533 8.9467 8.9467 10.6347 10.6347 12.0096 12.0096 12.2649 12.2649 k = 0.1244 0.2154-0.0000 ( 2681 PWs) bands (ev): -39.8448 -39.8448 -39.8103 -39.8103 -39.7065 -39.7065 -39.6727 -39.6727 -19.3182 -19.3182 -19.3176 -19.3176 -9.5838 -9.5838 -9.2436 -9.2436 -3.0469 -3.0469 -2.0050 -2.0050 -1.0137 -1.0137 -0.9753 -0.9753 -0.5684 -0.5684 -0.4326 -0.4326 4.4006 4.4006 4.6651 4.6651 5.0947 5.0947 5.2700 5.2700 8.8934 8.8934 10.6202 10.6202 11.9226 11.9226 12.1960 12.1960 k = 0.1194 0.2068-0.0000 ( 2683 PWs) bands (ev): -39.8465 -39.8465 -39.8119 -39.8119 -39.7057 -39.7057 -39.6718 -39.6718 -19.3224 -19.3224 -19.3217 -19.3217 -9.5900 -9.5900 -9.2435 -9.2435 -3.0578 -3.0578 -1.9986 -1.9986 -0.9752 -0.9752 -0.9301 -0.9301 -0.5513 -0.5513 -0.4154 -0.4154 4.4536 4.4536 4.6854 4.6854 5.1063 5.1063 5.2860 5.2860 8.8418 8.8418 10.6031 10.6031 11.8372 11.8372 12.1321 12.1321 k = 0.1144 0.1982-0.0000 ( 2683 PWs) bands (ev): -39.8481 -39.8481 -39.8135 -39.8135 -39.7049 -39.7049 -39.6710 -39.6710 -19.3264 -19.3264 -19.3257 -19.3257 -9.5961 -9.5961 -9.2434 -9.2434 -3.0682 -3.0682 -1.9924 -1.9924 -0.9367 -0.9367 -0.8850 -0.8850 -0.5347 -0.5347 -0.3988 -0.3988 4.5054 4.5054 4.7060 4.7060 5.1183 5.1183 5.3015 5.3015 8.7919 8.7919 10.5833 10.5833 11.7533 11.7533 12.0733 12.0733 k = 0.1095 0.1896-0.0000 ( 2683 PWs) bands (ev): -39.8497 -39.8497 -39.8150 -39.8150 -39.7042 -39.7042 -39.6702 -39.6702 -19.3304 -19.3304 -19.3296 -19.3296 -9.6019 -9.6019 -9.2433 -9.2433 -3.0783 -3.0783 -1.9864 -1.9864 -0.8983 -0.8983 -0.8404 -0.8404 -0.5186 -0.5186 -0.3828 -0.3828 4.5557 4.5557 4.7268 4.7268 5.1308 5.1308 5.3162 5.3162 8.7437 8.7437 10.5607 10.5607 11.6713 11.6713 12.0198 12.0198 k = 0.1045 0.1810-0.0000 ( 2683 PWs) bands (ev): -39.8513 -39.8513 -39.8164 -39.8164 -39.7035 -39.7035 -39.6694 -39.6694 -19.3343 -19.3343 -19.3335 -19.3335 -9.6076 -9.6076 -9.2433 -9.2433 -3.0881 -3.0881 -1.9806 -1.9806 -0.8601 -0.8601 -0.7962 -0.7962 -0.5030 -0.5030 -0.3674 -0.3674 4.6043 4.6043 4.7477 4.7477 5.1439 5.1439 5.3302 5.3302 8.6972 8.6972 10.5353 10.5353 11.5912 11.5912 11.9717 11.9717 k = 0.0995 0.1723-0.0000 ( 2683 PWs) bands (ev): -39.8528 -39.8528 -39.8178 -39.8178 -39.7028 -39.7028 -39.6687 -39.6687 -19.3381 -19.3381 -19.3372 -19.3372 -9.6130 -9.6130 -9.2434 -9.2434 -3.0974 -3.0974 -1.9751 -1.9751 -0.8223 -0.8223 -0.7528 -0.7528 -0.4879 -0.4879 -0.3526 -0.3526 4.6509 4.6509 4.7687 4.7687 5.1576 5.1576 5.3435 5.3435 8.6524 8.6524 10.5071 10.5071 11.5133 11.5133 11.9289 11.9289 k = 0.0945 0.1637-0.0000 ( 2683 PWs) bands (ev): -39.8542 -39.8542 -39.8192 -39.8192 -39.7022 -39.7022 -39.6680 -39.6680 -19.3417 -19.3417 -19.3408 -19.3408 -9.6183 -9.6183 -9.2434 -9.2434 -3.1064 -3.1064 -1.9698 -1.9698 -0.7850 -0.7850 -0.7103 -0.7103 -0.4732 -0.4732 -0.3385 -0.3385 4.6953 4.6953 4.7897 4.7897 5.1720 5.1720 5.3560 5.3560 8.6095 8.6095 10.4765 10.4765 11.4376 11.4376 11.8913 11.8913 k = 0.0896 0.1551-0.0000 ( 2683 PWs) bands (ev): -39.8556 -39.8556 -39.8205 -39.8205 -39.7016 -39.7016 -39.6673 -39.6673 -19.3453 -19.3453 -19.3443 -19.3443 -9.6233 -9.6233 -9.2435 -9.2435 -3.1150 -3.1150 -1.9648 -1.9648 -0.7484 -0.7484 -0.6689 -0.6689 -0.4590 -0.4590 -0.3251 -0.3251 4.7371 4.7371 4.8106 4.8106 5.1872 5.1872 5.3677 5.3677 8.5683 8.5683 10.4436 10.4436 11.3644 11.3644 11.8587 11.8587 k = 0.0846 0.1465-0.0000 ( 2687 PWs) bands (ev): -39.8569 -39.8569 -39.8217 -39.8217 -39.7011 -39.7011 -39.6667 -39.6667 -19.3487 -19.3487 -19.3477 -19.3477 -9.6281 -9.6281 -9.2436 -9.2436 -3.1231 -3.1231 -1.9600 -1.9600 -0.7127 -0.7127 -0.6289 -0.6289 -0.4451 -0.4451 -0.3124 -0.3124 4.7762 4.7762 4.8314 4.8314 5.2033 5.2033 5.3787 5.3787 8.5291 8.5291 10.4089 10.4089 11.2939 11.2939 11.8308 11.8308 k = 0.0796 0.1379-0.0000 ( 2687 PWs) bands (ev): -39.8581 -39.8581 -39.8229 -39.8229 -39.7005 -39.7005 -39.6661 -39.6661 -19.3519 -19.3519 -19.3509 -19.3509 -9.6327 -9.6327 -9.2437 -9.2437 -3.1308 -3.1308 -1.9555 -1.9555 -0.6779 -0.6779 -0.5906 -0.5906 -0.4314 -0.4314 -0.3003 -0.3003 4.8120 4.8120 4.8522 4.8522 5.2202 5.2202 5.3888 5.3888 8.4917 8.4917 10.3729 10.3729 11.2261 11.2261 11.8071 11.8071 k = 0.0746 0.1293-0.0000 ( 2683 PWs) bands (ev): -39.8593 -39.8593 -39.8240 -39.8240 -39.7001 -39.7001 -39.6656 -39.6656 -19.3550 -19.3550 -19.3540 -19.3540 -9.6370 -9.6370 -9.2438 -9.2438 -3.1382 -3.1382 -1.9513 -1.9513 -0.6442 -0.6442 -0.5543 -0.5543 -0.4177 -0.4177 -0.2890 -0.2890 4.8443 4.8443 4.8731 4.8731 5.2381 5.2381 5.3981 5.3981 8.4562 8.4562 10.3360 10.3360 11.1614 11.1614 11.7873 11.7873 k = 0.0697 0.1206-0.0000 ( 2681 PWs) bands (ev): -39.8604 -39.8604 -39.8250 -39.8250 -39.6996 -39.6996 -39.6650 -39.6650 -19.3580 -19.3580 -19.3569 -19.3569 -9.6411 -9.6411 -9.2440 -9.2440 -3.1450 -3.1450 -1.9473 -1.9473 -0.6118 -0.6118 -0.5205 -0.5205 -0.4037 -0.4037 -0.2784 -0.2784 4.8724 4.8724 4.8944 4.8944 5.2568 5.2568 5.4066 5.4066 8.4227 8.4227 10.2988 10.2988 11.0998 11.0998 11.7710 11.7710 k = 0.0647 0.1120-0.0000 ( 2685 PWs) bands (ev): -39.8615 -39.8615 -39.8260 -39.8260 -39.6992 -39.6992 -39.6646 -39.6646 -19.3608 -19.3608 -19.3597 -19.3597 -9.6449 -9.6449 -9.2441 -9.2441 -3.1515 -3.1515 -1.9436 -1.9436 -0.5808 -0.5808 -0.4898 -0.4898 -0.3891 -0.3891 -0.2686 -0.2686 4.8964 4.8964 4.9162 4.9162 5.2761 5.2761 5.4143 5.4143 8.3912 8.3912 10.2617 10.2617 11.0416 11.0416 11.7576 11.7576 k = 0.0597 0.1034-0.0000 ( 2689 PWs) bands (ev): -39.8624 -39.8624 -39.8269 -39.8269 -39.6988 -39.6988 -39.6641 -39.6641 -19.3634 -19.3634 -19.3623 -19.3623 -9.6485 -9.6485 -9.2443 -9.2443 -3.1574 -3.1574 -1.9402 -1.9402 -0.5514 -0.5514 -0.4629 -0.4629 -0.3733 -0.3733 -0.2594 -0.2594 4.9169 4.9169 4.9376 4.9376 5.2958 5.2958 5.4212 5.4212 8.3618 8.3618 10.2253 10.2253 10.9868 10.9868 11.7469 11.7469 k = 0.0547 0.0948-0.0000 ( 2689 PWs) bands (ev): -39.8633 -39.8633 -39.8278 -39.8278 -39.6984 -39.6984 -39.6637 -39.6637 -19.3658 -19.3658 -19.3647 -19.3647 -9.6518 -9.6518 -9.2444 -9.2444 -3.1630 -3.1630 -1.9370 -1.9370 -0.5237 -0.5237 -0.4402 -0.4402 -0.3559 -0.3559 -0.2510 -0.2510 4.9351 4.9351 4.9575 4.9575 5.3156 5.3156 5.4274 5.4274 8.3345 8.3345 10.1901 10.1901 10.9358 10.9358 11.7383 11.7383 k = 0.0498 0.0862-0.0000 ( 2685 PWs) bands (ev): -39.8642 -39.8642 -39.8285 -39.8285 -39.6981 -39.6981 -39.6633 -39.6633 -19.3680 -19.3680 -19.3669 -19.3669 -9.6548 -9.6548 -9.2446 -9.2446 -3.1681 -3.1681 -1.9341 -1.9341 -0.4979 -0.4979 -0.4219 -0.4219 -0.3371 -0.3371 -0.2434 -0.2434 4.9515 4.9515 4.9754 4.9754 5.3352 5.3352 5.4329 5.4329 8.3093 8.3093 10.1564 10.1564 10.8886 10.8886 11.7316 11.7316 k = 0.0448 0.0776-0.0000 ( 2693 PWs) bands (ev): -39.8649 -39.8649 -39.8293 -39.8293 -39.6978 -39.6978 -39.6630 -39.6630 -19.3700 -19.3700 -19.3689 -19.3689 -9.6576 -9.6576 -9.2447 -9.2447 -3.1727 -3.1727 -1.9315 -1.9315 -0.4741 -0.4741 -0.4073 -0.4073 -0.3175 -0.3175 -0.2365 -0.2365 4.9664 4.9664 4.9913 4.9913 5.3541 5.3541 5.4378 5.4378 8.2863 8.2863 10.1247 10.1247 10.8454 10.8454 11.7265 11.7265 k = 0.0398 0.0689-0.0000 ( 2691 PWs) bands (ev): -39.8656 -39.8656 -39.8299 -39.8299 -39.6975 -39.6975 -39.6627 -39.6627 -19.3718 -19.3718 -19.3707 -19.3707 -9.6600 -9.6600 -9.2449 -9.2449 -3.1768 -3.1768 -1.9291 -1.9291 -0.4524 -0.4524 -0.3957 -0.3957 -0.2982 -0.2982 -0.2302 -0.2302 4.9798 4.9798 5.0051 5.0051 5.3719 5.3719 5.4421 5.4421 8.2656 8.2656 10.0954 10.0954 10.8063 10.8063 11.7226 11.7226 k = 0.0348 0.0603-0.0000 ( 2691 PWs) bands (ev): -39.8662 -39.8662 -39.8304 -39.8304 -39.6973 -39.6973 -39.6624 -39.6624 -19.3735 -19.3735 -19.3724 -19.3724 -9.6622 -9.6622 -9.2450 -9.2450 -3.1805 -3.1805 -1.9271 -1.9271 -0.4331 -0.4331 -0.3862 -0.3862 -0.2800 -0.2800 -0.2247 -0.2247 4.9917 4.9917 5.0170 5.0170 5.3883 5.3883 5.4460 5.4460 8.2471 8.2471 10.0688 10.0688 10.7714 10.7714 11.7197 11.7197 k = 0.0299 0.0517-0.0000 ( 2689 PWs) bands (ev): -39.8667 -39.8667 -39.8309 -39.8309 -39.6971 -39.6971 -39.6622 -39.6622 -19.3749 -19.3749 -19.3738 -19.3738 -9.6641 -9.6641 -9.2451 -9.2451 -3.1836 -3.1836 -1.9253 -1.9253 -0.4164 -0.4164 -0.3783 -0.3783 -0.2637 -0.2637 -0.2197 -0.2197 5.0021 5.0021 5.0272 5.0272 5.4027 5.4027 5.4496 5.4496 8.2310 8.2310 10.0452 10.0452 10.7410 10.7410 11.7176 11.7176 k = 0.0249 0.0431-0.0000 ( 2681 PWs) bands (ev): -39.8672 -39.8672 -39.8314 -39.8314 -39.6969 -39.6969 -39.6620 -39.6620 -19.3761 -19.3761 -19.3750 -19.3750 -9.6657 -9.6657 -9.2452 -9.2452 -3.1863 -3.1863 -1.9238 -1.9238 -0.4024 -0.4024 -0.3715 -0.3715 -0.2497 -0.2497 -0.2151 -0.2151 5.0108 5.0108 5.0358 5.0358 5.4149 5.4149 5.4530 5.4530 8.2174 8.2174 10.0248 10.0248 10.7150 10.7150 11.7161 11.7161 k = 0.0199 0.0345-0.0000 ( 2673 PWs) bands (ev): -39.8675 -39.8675 -39.8317 -39.8317 -39.6968 -39.6968 -39.6618 -39.6618 -19.3771 -19.3771 -19.3759 -19.3759 -9.6671 -9.6671 -9.2453 -9.2453 -3.1885 -3.1885 -1.9225 -1.9225 -0.3913 -0.3913 -0.3656 -0.3656 -0.2386 -0.2386 -0.2108 -0.2108 5.0179 5.0179 5.0429 5.0429 5.4244 5.4244 5.4565 5.4565 8.2061 8.2061 10.0078 10.0078 10.6937 10.6937 11.7151 11.7151 k = 0.0149 0.0259-0.0000 ( 2677 PWs) bands (ev): -39.8678 -39.8678 -39.8320 -39.8320 -39.6967 -39.6967 -39.6617 -39.6617 -19.3779 -19.3779 -19.3767 -19.3767 -9.6681 -9.6681 -9.2453 -9.2453 -3.1903 -3.1903 -1.9215 -1.9215 -0.3832 -0.3832 -0.3605 -0.3605 -0.2306 -0.2306 -0.2068 -0.2068 5.0234 5.0234 5.0484 5.0484 5.4313 5.4313 5.4599 5.4599 8.1973 8.1973 9.9944 9.9944 10.6770 10.6770 11.7144 11.7144 k = 0.0100 0.0172-0.0000 ( 2685 PWs) bands (ev): -39.8680 -39.8680 -39.8321 -39.8321 -39.6966 -39.6966 -39.6616 -39.6616 -19.3784 -19.3784 -19.3773 -19.3773 -9.6688 -9.6688 -9.2454 -9.2454 -3.1915 -3.1915 -1.9208 -1.9208 -0.3778 -0.3778 -0.3563 -0.3563 -0.2254 -0.2254 -0.2033 -0.2033 5.0273 5.0273 5.0523 5.0523 5.4357 5.4357 5.4629 5.4629 8.1910 8.1910 9.9847 9.9847 10.6650 10.6650 11.7140 11.7140 k = 0.0050 0.0086-0.0000 ( 2685 PWs) bands (ev): -39.8681 -39.8681 -39.8323 -39.8323 -39.6966 -39.6966 -39.6615 -39.6615 -19.3788 -19.3788 -19.3776 -19.3776 -9.6693 -9.6693 -9.2454 -9.2454 -3.1922 -3.1922 -1.9204 -1.9204 -0.3748 -0.3748 -0.3536 -0.3536 -0.2226 -0.2226 -0.2008 -0.2008 5.0296 5.0296 5.0547 5.0547 5.4381 5.4381 5.4650 5.4650 8.1872 8.1872 9.9789 9.9789 10.6578 10.6578 11.7138 11.7138 k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -39.8682 -39.8682 -39.8323 -39.8323 -39.6965 -39.6965 -39.6615 -39.6615 -19.3789 -19.3789 -19.3777 -19.3777 -9.6694 -9.6694 -9.2454 -9.2454 -3.1925 -3.1925 -1.9203 -1.9203 -0.3739 -0.3739 -0.3526 -0.3526 -0.2217 -0.2217 -0.2000 -0.2000 5.0304 5.0304 5.0555 5.0555 5.4388 5.4388 5.4658 5.4658 8.1859 8.1859 9.9770 9.9770 10.6554 10.6554 11.7137 11.7137 k = 0.0000 0.0000 0.0000 ( 2685 PWs) bands (ev): -39.8682 -39.8682 -39.8323 -39.8323 -39.6965 -39.6965 -39.6615 -39.6615 -19.3789 -19.3789 -19.3777 -19.3777 -9.6694 -9.6694 -9.2454 -9.2454 -3.1925 -3.1925 -1.9203 -1.9203 -0.3739 -0.3739 -0.3526 -0.3526 -0.2217 -0.2217 -0.2000 -0.2000 5.0304 5.0304 5.0555 5.0555 5.4388 5.4388 5.4658 5.4658 8.1859 8.1859 9.9770 9.9770 10.6554 10.6554 11.7137 11.7137 k = 0.0000 0.0000 0.0097 ( 2685 PWs) bands (ev): -39.8681 -39.8681 -39.8324 -39.8324 -39.6965 -39.6965 -39.6616 -39.6616 -19.3789 -19.3789 -19.3777 -19.3777 -9.6689 -9.6689 -9.2461 -9.2461 -3.1908 -3.1908 -1.9222 -1.9222 -0.3737 -0.3737 -0.3524 -0.3524 -0.2219 -0.2219 -0.2002 -0.2002 5.0309 5.0309 5.0561 5.0561 5.4382 5.4382 5.4652 5.4652 8.1894 8.1894 9.9774 9.9774 10.6544 10.6544 11.7039 11.7039 k = 0.0000 0.0000 0.0195 ( 2679 PWs) bands (ev): -39.8680 -39.8680 -39.8326 -39.8326 -39.6963 -39.6963 -39.6617 -39.6617 -19.3788 -19.3788 -19.3777 -19.3777 -9.6673 -9.6673 -9.2481 -9.2481 -3.1857 -3.1857 -1.9279 -1.9279 -0.3731 -0.3731 -0.3518 -0.3518 -0.2226 -0.2226 -0.2009 -0.2009 5.0326 5.0326 5.0578 5.0578 5.4365 5.4365 5.4635 5.4635 8.1997 8.1997 9.9789 9.9789 10.6515 10.6515 11.6749 11.6749 k = 0.0000 0.0000 0.0292 ( 2667 PWs) bands (ev): -39.8678 -39.8678 -39.8329 -39.8329 -39.6960 -39.6960 -39.6619 -39.6619 -19.3788 -19.3788 -19.3777 -19.3777 -9.6647 -9.6647 -9.2514 -9.2514 -3.1771 -3.1771 -1.9373 -1.9373 -0.3721 -0.3721 -0.3508 -0.3508 -0.2237 -0.2237 -0.2020 -0.2020 5.0354 5.0354 5.0606 5.0606 5.4336 5.4336 5.4606 5.4606 8.2168 8.2168 9.9813 9.9813 10.6466 10.6466 11.6281 11.6281 k = 0.0000 0.0000 0.0389 ( 2667 PWs) bands (ev): -39.8675 -39.8675 -39.8333 -39.8333 -39.6956 -39.6956 -39.6622 -39.6622 -19.3788 -19.3788 -19.3777 -19.3777 -9.6610 -9.6610 -9.2561 -9.2561 -3.1653 -3.1653 -1.9504 -1.9504 -0.3707 -0.3707 -0.3494 -0.3494 -0.2253 -0.2253 -0.2035 -0.2035 5.0394 5.0394 5.0645 5.0645 5.4296 5.4296 5.4566 5.4566 8.2406 8.2406 9.9846 9.9846 10.6399 10.6399 11.5656 11.5656 k = 0.0000 0.0000 0.0487 ( 2673 PWs) bands (ev): -39.8671 -39.8671 -39.8338 -39.8338 -39.6950 -39.6950 -39.6625 -39.6625 -19.3788 -19.3788 -19.3778 -19.3778 -9.6564 -9.6564 -9.2620 -9.2620 -3.1502 -3.1502 -1.9671 -1.9671 -0.3689 -0.3689 -0.3476 -0.3476 -0.2272 -0.2272 -0.2055 -0.2055 5.0444 5.0444 5.0695 5.0695 5.4245 5.4245 5.4514 5.4514 8.2711 8.2711 9.9887 9.9887 10.6313 10.6313 11.4898 11.4898 k = 0.0000 0.0000 0.0584 ( 2673 PWs) bands (ev): -39.8667 -39.8667 -39.8345 -39.8345 -39.6944 -39.6944 -39.6630 -39.6630 -19.3788 -19.3788 -19.3778 -19.3778 -9.6507 -9.6507 -9.2691 -9.2691 -3.1319 -3.1319 -1.9873 -1.9873 -0.3667 -0.3667 -0.3454 -0.3454 -0.2296 -0.2296 -0.2079 -0.2079 5.0504 5.0504 5.0756 5.0756 5.4183 5.4183 5.4452 5.4452 8.3081 8.3081 9.9935 9.9935 10.6211 10.6211 11.4030 11.4030 k = 0.0000 0.0000 0.0681 ( 2673 PWs) bands (ev): -39.8662 -39.8662 -39.8353 -39.8353 -39.6936 -39.6936 -39.6635 -39.6635 -19.3788 -19.3788 -19.3778 -19.3778 -9.6440 -9.6440 -9.2774 -9.2774 -3.1104 -3.1104 -2.0108 -2.0108 -0.3642 -0.3642 -0.3429 -0.3429 -0.2324 -0.2324 -0.2107 -0.2107 5.0575 5.0575 5.0827 5.0827 5.4111 5.4111 5.4380 5.4380 8.3515 8.3515 9.9986 9.9986 10.6093 10.6093 11.3076 11.3076 k = 0.0000 0.0000 0.0779 ( 2685 PWs) bands (ev): -39.8655 -39.8655 -39.8361 -39.8361 -39.6928 -39.6928 -39.6641 -39.6641 -19.3788 -19.3788 -19.3778 -19.3778 -9.6364 -9.6364 -9.2868 -9.2868 -3.0860 -3.0860 -2.0375 -2.0375 -0.3613 -0.3613 -0.3400 -0.3400 -0.2356 -0.2356 -0.2139 -0.2139 5.0655 5.0655 5.0908 5.0908 5.4029 5.4029 5.4297 5.4297 8.4012 8.4012 10.0040 10.0040 10.5959 10.5959 11.2058 11.2058 k = 0.0000 0.0000 0.0876 ( 2685 PWs) bands (ev): -39.8649 -39.8649 -39.8371 -39.8371 -39.6919 -39.6919 -39.6647 -39.6647 -19.3788 -19.3788 -19.3778 -19.3778 -9.6279 -9.6279 -9.2972 -9.2972 -3.0588 -3.0588 -2.0671 -2.0671 -0.3580 -0.3580 -0.3367 -0.3367 -0.2391 -0.2391 -0.2174 -0.2174 5.0745 5.0745 5.0999 5.0999 5.3937 5.3937 5.4205 5.4205 8.4568 8.4568 10.0091 10.0091 10.5813 10.5813 11.0996 11.0996 k = 0.0000 0.0000 0.0974 ( 2685 PWs) bands (ev): -39.8641 -39.8641 -39.8381 -39.8381 -39.6909 -39.6909 -39.6655 -39.6655 -19.3787 -19.3787 -19.3779 -19.3779 -9.6184 -9.6184 -9.3085 -9.3085 -3.0288 -3.0288 -2.0996 -2.0996 -0.3545 -0.3545 -0.3331 -0.3331 -0.2430 -0.2430 -0.2213 -0.2213 5.0844 5.0844 5.1098 5.1098 5.3837 5.3837 5.4104 5.4104 8.5183 8.5183 10.0134 10.0134 10.5655 10.5655 10.9910 10.9910 k = 0.0000 0.0000 0.1071 ( 2697 PWs) bands (ev): -39.8633 -39.8633 -39.8392 -39.8392 -39.6898 -39.6898 -39.6663 -39.6663 -19.3787 -19.3787 -19.3779 -19.3779 -9.6082 -9.6082 -9.3207 -9.3207 -2.9963 -2.9963 -2.1346 -2.1346 -0.3506 -0.3506 -0.3292 -0.3292 -0.2471 -0.2471 -0.2255 -0.2255 5.0951 5.0951 5.1205 5.1205 5.3728 5.3728 5.3995 5.3995 8.5853 8.5853 10.0159 10.0159 10.5487 10.5487 10.8819 10.8819 k = 0.0000 0.0000 0.1168 ( 2697 PWs) bands (ev): -39.8624 -39.8624 -39.8403 -39.8403 -39.6887 -39.6887 -39.6671 -39.6671 -19.3787 -19.3787 -19.3780 -19.3780 -9.5971 -9.5971 -9.3337 -9.3337 -2.9614 -2.9614 -2.1719 -2.1719 -0.3464 -0.3464 -0.3251 -0.3251 -0.2516 -0.2516 -0.2299 -0.2299 5.1066 5.1066 5.1321 5.1321 5.3611 5.3611 5.3877 5.3877 8.6577 8.6577 10.0153 10.0153 10.5311 10.5311 10.7749 10.7749 k = 0.0000 0.0000 0.1266 ( 2697 PWs) bands (ev): -39.8615 -39.8615 -39.8415 -39.8415 -39.6875 -39.6875 -39.6681 -39.6681 -19.3786 -19.3786 -19.3780 -19.3780 -9.5852 -9.5852 -9.3474 -9.3474 -2.9243 -2.9243 -2.2114 -2.2114 -0.3420 -0.3420 -0.3206 -0.3206 -0.2563 -0.2563 -0.2347 -0.2347 5.1188 5.1188 5.1444 5.1444 5.3488 5.3488 5.3753 5.3753 8.7351 8.7351 10.0093 10.0093 10.5128 10.5128 10.6728 10.6728 k = 0.0000 0.0000 0.1363 ( 2691 PWs) bands (ev): -39.8604 -39.8604 -39.8428 -39.8428 -39.6863 -39.6863 -39.6690 -39.6690 -19.3786 -19.3786 -19.3780 -19.3780 -9.5727 -9.5727 -9.3617 -9.3617 -2.8852 -2.8852 -2.2527 -2.2527 -0.3373 -0.3373 -0.3159 -0.3159 -0.2613 -0.2613 -0.2396 -0.2396 5.1317 5.1317 5.1573 5.1573 5.3357 5.3357 5.3623 5.3623 8.8172 8.8172 9.9947 9.9947 10.4942 10.4942 10.5798 10.5798 k = 0.0000 0.0000 0.1460 ( 2703 PWs) bands (ev): -39.8594 -39.8594 -39.8441 -39.8441 -39.6850 -39.6850 -39.6701 -39.6701 -19.3786 -19.3786 -19.3780 -19.3780 -9.5595 -9.5595 -9.3764 -9.3764 -2.8443 -2.8443 -2.2957 -2.2957 -0.3324 -0.3324 -0.3110 -0.3110 -0.2664 -0.2664 -0.2448 -0.2448 5.1451 5.1451 5.1707 5.1707 5.3222 5.3222 5.3486 5.3486 8.9038 8.9038 9.9669 9.9669 10.4754 10.4754 10.5006 10.5006 k = 0.0000 0.0000 0.1558 ( 2703 PWs) bands (ev): -39.8583 -39.8583 -39.8454 -39.8454 -39.6837 -39.6837 -39.6712 -39.6712 -19.3785 -19.3785 -19.3781 -19.3781 -9.5457 -9.5457 -9.3916 -9.3916 -2.8018 -2.8018 -2.3400 -2.3400 -0.3273 -0.3273 -0.3059 -0.3059 -0.2717 -0.2717 -0.2502 -0.2502 5.1590 5.1590 5.1847 5.1847 5.3081 5.3081 5.3345 5.3345 8.9943 8.9943 9.9218 9.9218 10.4402 10.4402 10.4567 10.4567 k = 0.0000 0.0000 0.1655 ( 2708 PWs) bands (ev): -39.8571 -39.8571 -39.8467 -39.8467 -39.6824 -39.6824 -39.6723 -39.6723 -19.3785 -19.3785 -19.3781 -19.3781 -9.5314 -9.5314 -9.4072 -9.4072 -2.7579 -2.7579 -2.3855 -2.3855 -0.3220 -0.3220 -0.3006 -0.3006 -0.2772 -0.2772 -0.2556 -0.2556 5.1734 5.1734 5.1992 5.1992 5.2937 5.2937 5.3200 5.3200 9.0884 9.0884 9.8579 9.8579 10.4003 10.4003 10.4384 10.4384 k = 0.0000 0.0000 0.1752 ( 2708 PWs) bands (ev): -39.8559 -39.8559 -39.8481 -39.8481 -39.6811 -39.6811 -39.6735 -39.6735 -19.3785 -19.3785 -19.3782 -19.3782 -9.5167 -9.5167 -9.4229 -9.4229 -2.7128 -2.7128 -2.4318 -2.4318 -0.3166 -0.3166 -0.2951 -0.2951 -0.2828 -0.2828 -0.2612 -0.2612 5.1881 5.1881 5.2139 5.2139 5.2789 5.2789 5.3051 5.3051 9.1857 9.1857 9.7780 9.7780 10.3786 10.3786 10.4209 10.4209 k = 0.0000 0.0000 0.1850 ( 2708 PWs) bands (ev): -39.8546 -39.8546 -39.8494 -39.8494 -39.6798 -39.6798 -39.6747 -39.6747 -19.3784 -19.3784 -19.3782 -19.3782 -9.5015 -9.5015 -9.4387 -9.4387 -2.6668 -2.6668 -2.4786 -2.4786 -0.3110 -0.3110 -0.2896 -0.2896 -0.2884 -0.2884 -0.2669 -0.2669 5.2030 5.2030 5.2289 5.2289 5.2639 5.2639 5.2900 5.2900 9.2853 9.2853 9.6870 9.6870 10.3704 10.3704 10.4047 10.4047 k = 0.0000 0.0000 0.1947 ( 2708 PWs) bands (ev): -39.8534 -39.8534 -39.8507 -39.8507 -39.6785 -39.6785 -39.6760 -39.6760 -19.3784 -19.3784 -19.3783 -19.3783 -9.4861 -9.4861 -9.4546 -9.4546 -2.6202 -2.6202 -2.5258 -2.5258 -0.3054 -0.3054 -0.2941 -0.2941 -0.2840 -0.2840 -0.2726 -0.2726 5.2182 5.2182 5.2442 5.2442 5.2487 5.2487 5.2748 5.2748 9.3866 9.3866 9.5894 9.5894 10.3715 10.3715 10.3903 10.3903 k = 0.0000 0.0000 0.2044 ( 2708 PWs) bands (ev): -39.8521 -39.8521 -39.8521 -39.8521 -39.6772 -39.6772 -39.6772 -39.6772 -19.3783 -19.3783 -19.3783 -19.3783 -9.4704 -9.4704 -9.4704 -9.4704 -2.5731 -2.5731 -2.5731 -2.5731 -0.2998 -0.2998 -0.2998 -0.2998 -0.2783 -0.2783 -0.2783 -0.2783 5.2334 5.2334 5.2334 5.2334 5.2595 5.2595 5.2595 5.2595 9.4885 9.4885 9.4885 9.4885 10.3788 10.3788 10.3788 10.3788 k = 0.0000 0.0000 0.2044 ( 2708 PWs) bands (ev): -39.8521 -39.8521 -39.8521 -39.8521 -39.6772 -39.6772 -39.6772 -39.6772 -19.3783 -19.3783 -19.3783 -19.3783 -9.4704 -9.4704 -9.4704 -9.4704 -2.5731 -2.5731 -2.5731 -2.5731 -0.2998 -0.2998 -0.2998 -0.2998 -0.2783 -0.2783 -0.2783 -0.2783 5.2334 5.2334 5.2334 5.2334 5.2595 5.2595 5.2595 5.2595 9.4885 9.4885 9.4885 9.4885 10.3788 10.3788 10.3788 10.3788 k = 0.0086 0.0050 0.2044 ( 2708 PWs) bands (ev): -39.8520 -39.8520 -39.8520 -39.8520 -39.6772 -39.6772 -39.6772 -39.6772 -19.3782 -19.3782 -19.3782 -19.3782 -9.4703 -9.4703 -9.4703 -9.4703 -2.5730 -2.5730 -2.5730 -2.5730 -0.3007 -0.3007 -0.3007 -0.3007 -0.2792 -0.2792 -0.2792 -0.2792 5.2327 5.2327 5.2327 5.2327 5.2588 5.2588 5.2588 5.2588 9.4889 9.4889 9.4889 9.4889 10.3812 10.3812 10.3812 10.3812 k = 0.0172 0.0100 0.2044 ( 2704 PWs) bands (ev): -39.8519 -39.8519 -39.8519 -39.8519 -39.6773 -39.6773 -39.6773 -39.6773 -19.3779 -19.3779 -19.3779 -19.3779 -9.4700 -9.4700 -9.4700 -9.4700 -2.5728 -2.5728 -2.5728 -2.5728 -0.3036 -0.3036 -0.3036 -0.3036 -0.2817 -0.2817 -0.2817 -0.2817 5.2305 5.2305 5.2305 5.2305 5.2567 5.2567 5.2567 5.2567 9.4903 9.4903 9.4903 9.4903 10.3883 10.3883 10.3883 10.3883 k = 0.0259 0.0149 0.2044 ( 2700 PWs) bands (ev): -39.8517 -39.8517 -39.8517 -39.8517 -39.6774 -39.6774 -39.6774 -39.6774 -19.3773 -19.3773 -19.3773 -19.3773 -9.4696 -9.4696 -9.4696 -9.4696 -2.5725 -2.5725 -2.5725 -2.5725 -0.3090 -0.3090 -0.3090 -0.3090 -0.2855 -0.2855 -0.2855 -0.2855 5.2268 5.2268 5.2268 5.2268 5.2534 5.2534 5.2534 5.2534 9.4925 9.4925 9.4925 9.4925 10.4001 10.4001 10.4001 10.4001 k = 0.0345 0.0199 0.2044 ( 2700 PWs) bands (ev): -39.8514 -39.8514 -39.8514 -39.8514 -39.6775 -39.6775 -39.6775 -39.6775 -19.3766 -19.3766 -19.3766 -19.3766 -9.4690 -9.4690 -9.4690 -9.4690 -2.5721 -2.5721 -2.5721 -2.5721 -0.3172 -0.3172 -0.3172 -0.3172 -0.2900 -0.2900 -0.2900 -0.2900 5.2213 5.2213 5.2213 5.2213 5.2490 5.2490 5.2490 5.2490 9.4957 9.4957 9.4957 9.4957 10.4166 10.4166 10.4166 10.4166 k = 0.0431 0.0249 0.2044 ( 2698 PWs) bands (ev): -39.8511 -39.8511 -39.8511 -39.8511 -39.6776 -39.6776 -39.6776 -39.6776 -19.3756 -19.3756 -19.3756 -19.3756 -9.4682 -9.4682 -9.4682 -9.4682 -2.5716 -2.5716 -2.5716 -2.5716 -0.3286 -0.3286 -0.3286 -0.3286 -0.2949 -0.2949 -0.2949 -0.2949 5.2138 5.2138 5.2138 5.2138 5.2438 5.2438 5.2438 5.2438 9.4997 9.4997 9.4997 9.4997 10.4377 10.4377 10.4377 10.4377 k = 0.0517 0.0299 0.2044 ( 2694 PWs) bands (ev): -39.8507 -39.8507 -39.8507 -39.8507 -39.6778 -39.6778 -39.6778 -39.6778 -19.3744 -19.3744 -19.3744 -19.3744 -9.4673 -9.4673 -9.4673 -9.4673 -2.5709 -2.5709 -2.5709 -2.5709 -0.3431 -0.3431 -0.3431 -0.3431 -0.3001 -0.3001 -0.3001 -0.3001 5.2043 5.2043 5.2043 5.2043 5.2380 5.2380 5.2380 5.2380 9.5046 9.5046 9.5046 9.5046 10.4633 10.4633 10.4633 10.4633 k = 0.0603 0.0348 0.2044 ( 2694 PWs) bands (ev): -39.8501 -39.8501 -39.8501 -39.8501 -39.6780 -39.6780 -39.6780 -39.6780 -19.3729 -19.3729 -19.3729 -19.3729 -9.4662 -9.4662 -9.4662 -9.4662 -2.5701 -2.5701 -2.5701 -2.5701 -0.3605 -0.3605 -0.3605 -0.3605 -0.3057 -0.3057 -0.3057 -0.3057 5.1925 5.1925 5.1925 5.1925 5.2317 5.2317 5.2317 5.2317 9.5104 9.5104 9.5104 9.5104 10.4933 10.4933 10.4933 10.4933 k = 0.0690 0.0398 0.2044 ( 2690 PWs) bands (ev): -39.8496 -39.8496 -39.8496 -39.8496 -39.6783 -39.6783 -39.6783 -39.6783 -19.3713 -19.3713 -19.3713 -19.3713 -9.4649 -9.4649 -9.4649 -9.4649 -2.5692 -2.5692 -2.5692 -2.5692 -0.3807 -0.3807 -0.3807 -0.3807 -0.3118 -0.3118 -0.3118 -0.3118 5.1787 5.1787 5.1787 5.1787 5.2249 5.2249 5.2249 5.2249 9.5171 9.5171 9.5171 9.5171 10.5276 10.5276 10.5276 10.5276 k = 0.0776 0.0448 0.2044 ( 2694 PWs) bands (ev): -39.8489 -39.8489 -39.8489 -39.8489 -39.6785 -39.6785 -39.6785 -39.6785 -19.3695 -19.3695 -19.3695 -19.3695 -9.4635 -9.4635 -9.4635 -9.4635 -2.5682 -2.5682 -2.5682 -2.5682 -0.4036 -0.4036 -0.4036 -0.4036 -0.3185 -0.3185 -0.3185 -0.3185 5.1628 5.1628 5.1628 5.1628 5.2175 5.2175 5.2175 5.2175 9.5248 9.5248 9.5248 9.5248 10.5662 10.5662 10.5662 10.5662 k = 0.0862 0.0498 0.2044 ( 2690 PWs) bands (ev): -39.8482 -39.8482 -39.8482 -39.8482 -39.6789 -39.6789 -39.6789 -39.6789 -19.3674 -19.3674 -19.3674 -19.3674 -9.4619 -9.4619 -9.4619 -9.4619 -2.5671 -2.5671 -2.5671 -2.5671 -0.4288 -0.4288 -0.4288 -0.4288 -0.3258 -0.3258 -0.3258 -0.3258 5.1450 5.1450 5.1450 5.1450 5.2096 5.2096 5.2096 5.2096 9.5333 9.5333 9.5333 9.5333 10.6088 10.6088 10.6088 10.6088 k = 0.0948 0.0547 0.2044 ( 2690 PWs) bands (ev): -39.8474 -39.8474 -39.8474 -39.8474 -39.6792 -39.6792 -39.6792 -39.6792 -19.3652 -19.3652 -19.3652 -19.3652 -9.4601 -9.4601 -9.4601 -9.4601 -2.5659 -2.5659 -2.5659 -2.5659 -0.4564 -0.4564 -0.4564 -0.4564 -0.3337 -0.3337 -0.3337 -0.3337 5.1254 5.1254 5.1254 5.1254 5.2012 5.2012 5.2012 5.2012 9.5427 9.5427 9.5427 9.5427 10.6552 10.6552 10.6552 10.6552 k = 0.1034 0.0597 0.2044 ( 2694 PWs) bands (ev): -39.8465 -39.8465 -39.8465 -39.8465 -39.6796 -39.6796 -39.6796 -39.6796 -19.3628 -19.3628 -19.3628 -19.3628 -9.4582 -9.4582 -9.4582 -9.4582 -2.5645 -2.5645 -2.5645 -2.5645 -0.4861 -0.4861 -0.4861 -0.4861 -0.3421 -0.3421 -0.3421 -0.3421 5.1040 5.1040 5.1040 5.1040 5.1922 5.1922 5.1922 5.1922 9.5530 9.5530 9.5530 9.5530 10.7054 10.7054 10.7054 10.7054 k = 0.1121 0.0647 0.2044 ( 2688 PWs) bands (ev): -39.8456 -39.8456 -39.8456 -39.8456 -39.6800 -39.6800 -39.6800 -39.6800 -19.3602 -19.3602 -19.3602 -19.3602 -9.4562 -9.4562 -9.4562 -9.4562 -2.5631 -2.5631 -2.5631 -2.5631 -0.5179 -0.5179 -0.5179 -0.5179 -0.3511 -0.3511 -0.3511 -0.3511 5.0809 5.0809 5.0809 5.0809 5.1827 5.1827 5.1827 5.1827 9.5643 9.5643 9.5643 9.5643 10.7591 10.7591 10.7591 10.7591 k = 0.1207 0.0697 0.2044 ( 2688 PWs) bands (ev): -39.8446 -39.8446 -39.8446 -39.8446 -39.6804 -39.6804 -39.6804 -39.6804 -19.3574 -19.3574 -19.3574 -19.3574 -9.4540 -9.4540 -9.4540 -9.4540 -2.5616 -2.5616 -2.5616 -2.5616 -0.5515 -0.5515 -0.5515 -0.5515 -0.3606 -0.3606 -0.3606 -0.3606 5.0562 5.0562 5.0562 5.0562 5.1727 5.1727 5.1727 5.1727 9.5764 9.5764 9.5764 9.5764 10.8162 10.8162 10.8162 10.8162 k = 0.1293 0.0747 0.2044 ( 2688 PWs) bands (ev): -39.8435 -39.8435 -39.8435 -39.8435 -39.6809 -39.6809 -39.6809 -39.6809 -19.3545 -19.3545 -19.3545 -19.3545 -9.4516 -9.4516 -9.4516 -9.4516 -2.5600 -2.5600 -2.5600 -2.5600 -0.5869 -0.5869 -0.5869 -0.5869 -0.3707 -0.3707 -0.3707 -0.3707 5.0301 5.0301 5.0301 5.0301 5.1621 5.1621 5.1621 5.1621 9.5895 9.5895 9.5895 9.5895 10.8763 10.8763 10.8763 10.8763 k = 0.1379 0.0796 0.2044 ( 2692 PWs) bands (ev): -39.8424 -39.8424 -39.8424 -39.8424 -39.6814 -39.6814 -39.6814 -39.6814 -19.3514 -19.3514 -19.3514 -19.3514 -9.4492 -9.4492 -9.4492 -9.4492 -2.5583 -2.5583 -2.5583 -2.5583 -0.6239 -0.6239 -0.6239 -0.6239 -0.3812 -0.3812 -0.3812 -0.3812 5.0026 5.0026 5.0026 5.0026 5.1511 5.1511 5.1511 5.1511 9.6034 9.6034 9.6034 9.6034 10.9392 10.9392 10.9392 10.9392 k = 0.1466 0.0846 0.2044 ( 2690 PWs) bands (ev): -39.8412 -39.8412 -39.8412 -39.8412 -39.6820 -39.6820 -39.6820 -39.6820 -19.3482 -19.3482 -19.3482 -19.3482 -9.4466 -9.4466 -9.4466 -9.4466 -2.5565 -2.5565 -2.5565 -2.5565 -0.6623 -0.6623 -0.6623 -0.6623 -0.3922 -0.3922 -0.3922 -0.3922 4.9737 4.9737 4.9737 4.9737 5.1396 5.1396 5.1396 5.1396 9.6183 9.6183 9.6183 9.6183 11.0048 11.0048 11.0048 11.0048 k = 0.1552 0.0896 0.2044 ( 2682 PWs) bands (ev): -39.8399 -39.8399 -39.8399 -39.8399 -39.6825 -39.6825 -39.6825 -39.6825 -19.3448 -19.3448 -19.3448 -19.3448 -9.4439 -9.4439 -9.4439 -9.4439 -2.5546 -2.5546 -2.5546 -2.5546 -0.7020 -0.7020 -0.7020 -0.7020 -0.4036 -0.4036 -0.4036 -0.4036 4.9437 4.9437 4.9437 4.9437 5.1277 5.1277 5.1277 5.1277 9.6340 9.6340 9.6340 9.6340 11.0728 11.0728 11.0728 11.0728 k = 0.1638 0.0946 0.2044 ( 2680 PWs) bands (ev): -39.8386 -39.8386 -39.8386 -39.8386 -39.6832 -39.6832 -39.6832 -39.6832 -19.3413 -19.3413 -19.3413 -19.3413 -9.4411 -9.4411 -9.4411 -9.4411 -2.5527 -2.5527 -2.5527 -2.5527 -0.7428 -0.7428 -0.7428 -0.7428 -0.4154 -0.4154 -0.4154 -0.4154 4.9125 4.9125 4.9125 4.9125 5.1154 5.1154 5.1154 5.1154 9.6507 9.6507 9.6507 9.6507 11.1428 11.1428 11.1428 11.1428 k = 0.1724 0.0995 0.2044 ( 2680 PWs) bands (ev): -39.8373 -39.8373 -39.8373 -39.8373 -39.6838 -39.6838 -39.6838 -39.6838 -19.3376 -19.3376 -19.3376 -19.3376 -9.4382 -9.4382 -9.4382 -9.4382 -2.5507 -2.5507 -2.5507 -2.5507 -0.7847 -0.7847 -0.7847 -0.7847 -0.4275 -0.4275 -0.4275 -0.4275 4.8804 4.8804 4.8804 4.8804 5.1027 5.1027 5.1027 5.1027 9.6682 9.6682 9.6682 9.6682 11.2146 11.2146 11.2146 11.2146 k = 0.1810 0.1045 0.2044 ( 2676 PWs) bands (ev): -39.8358 -39.8358 -39.8358 -39.8358 -39.6845 -39.6845 -39.6845 -39.6845 -19.3339 -19.3339 -19.3339 -19.3339 -9.4352 -9.4352 -9.4352 -9.4352 -2.5486 -2.5486 -2.5486 -2.5486 -0.8274 -0.8274 -0.8274 -0.8274 -0.4399 -0.4399 -0.4399 -0.4399 4.8473 4.8473 4.8473 4.8473 5.0897 5.0897 5.0897 5.0897 9.6866 9.6866 9.6866 9.6866 11.2879 11.2879 11.2879 11.2879 k = 0.1897 0.1095 0.2044 ( 2664 PWs) bands (ev): -39.8344 -39.8344 -39.8344 -39.8344 -39.6852 -39.6852 -39.6852 -39.6852 -19.3300 -19.3300 -19.3300 -19.3300 -9.4321 -9.4321 -9.4321 -9.4321 -2.5465 -2.5465 -2.5465 -2.5465 -0.8708 -0.8708 -0.8708 -0.8708 -0.4526 -0.4526 -0.4526 -0.4526 4.8134 4.8134 4.8134 4.8134 5.0765 5.0765 5.0765 5.0765 9.7059 9.7059 9.7059 9.7059 11.3622 11.3622 11.3622 11.3622 k = 0.1983 0.1145 0.2044 ( 2674 PWs) bands (ev): -39.8328 -39.8328 -39.8328 -39.8328 -39.6859 -39.6859 -39.6859 -39.6859 -19.3261 -19.3261 -19.3261 -19.3261 -9.4289 -9.4289 -9.4289 -9.4289 -2.5443 -2.5443 -2.5443 -2.5443 -0.9148 -0.9148 -0.9148 -0.9148 -0.4656 -0.4656 -0.4656 -0.4656 4.7788 4.7788 4.7788 4.7788 5.0630 5.0630 5.0630 5.0630 9.7259 9.7259 9.7259 9.7259 11.4374 11.4374 11.4374 11.4374 k = 0.2069 0.1195 0.2044 ( 2674 PWs) bands (ev): -39.8313 -39.8313 -39.8313 -39.8313 -39.6867 -39.6867 -39.6867 -39.6867 -19.3221 -19.3221 -19.3221 -19.3221 -9.4257 -9.4257 -9.4257 -9.4257 -2.5421 -2.5421 -2.5421 -2.5421 -0.9592 -0.9592 -0.9592 -0.9592 -0.4787 -0.4787 -0.4787 -0.4787 4.7437 4.7437 4.7437 4.7437 5.0494 5.0494 5.0494 5.0494 9.7468 9.7468 9.7468 9.7468 11.5130 11.5130 11.5130 11.5130 k = 0.2155 0.1244 0.2044 ( 2670 PWs) bands (ev): -39.8296 -39.8296 -39.8296 -39.8296 -39.6875 -39.6875 -39.6875 -39.6875 -19.3180 -19.3180 -19.3180 -19.3180 -9.4224 -9.4224 -9.4224 -9.4224 -2.5399 -2.5399 -2.5399 -2.5399 -1.0038 -1.0038 -1.0038 -1.0038 -0.4920 -0.4920 -0.4920 -0.4920 4.7080 4.7080 4.7080 4.7080 5.0356 5.0356 5.0356 5.0356 9.7685 9.7685 9.7685 9.7685 11.5886 11.5886 11.5886 11.5886 k = 0.2241 0.1294 0.2044 ( 2668 PWs) bands (ev): -39.8280 -39.8280 -39.8280 -39.8280 -39.6883 -39.6883 -39.6883 -39.6883 -19.3138 -19.3138 -19.3138 -19.3138 -9.4190 -9.4190 -9.4190 -9.4190 -2.5377 -2.5377 -2.5377 -2.5377 -1.0486 -1.0486 -1.0486 -1.0486 -0.5054 -0.5054 -0.5054 -0.5054 4.6720 4.6720 4.6720 4.6720 5.0217 5.0217 5.0217 5.0217 9.7909 9.7909 9.7909 9.7909 11.6638 11.6638 11.6638 11.6638 k = 0.2328 0.1344 0.2044 ( 2664 PWs) bands (ev): -39.8263 -39.8263 -39.8263 -39.8263 -39.6892 -39.6892 -39.6892 -39.6892 -19.3097 -19.3097 -19.3097 -19.3097 -9.4156 -9.4156 -9.4156 -9.4156 -2.5354 -2.5354 -2.5354 -2.5354 -1.0934 -1.0934 -1.0934 -1.0934 -0.5188 -0.5188 -0.5188 -0.5188 4.6357 4.6357 4.6357 4.6357 5.0077 5.0077 5.0077 5.0077 9.8141 9.8141 9.8141 9.8141 11.7382 11.7382 11.7382 11.7382 k = 0.2414 0.1394 0.2044 ( 2668 PWs) bands (ev): -39.8246 -39.8246 -39.8246 -39.8246 -39.6901 -39.6901 -39.6901 -39.6901 -19.3054 -19.3054 -19.3054 -19.3054 -9.4122 -9.4122 -9.4122 -9.4122 -2.5331 -2.5331 -2.5331 -2.5331 -1.1381 -1.1381 -1.1381 -1.1381 -0.5323 -0.5323 -0.5323 -0.5323 4.5992 4.5992 4.5992 4.5992 4.9937 4.9937 4.9937 4.9937 9.8379 9.8379 9.8379 9.8379 11.8113 11.8113 11.8113 11.8113 k = 0.2500 0.1443 0.2044 ( 2670 PWs) bands (ev): -39.8228 -39.8228 -39.8228 -39.8228 -39.6910 -39.6910 -39.6910 -39.6910 -19.3012 -19.3012 -19.3012 -19.3012 -9.4087 -9.4087 -9.4087 -9.4087 -2.5308 -2.5308 -2.5308 -2.5308 -1.1825 -1.1825 -1.1825 -1.1825 -0.5458 -0.5458 -0.5458 -0.5458 4.5627 4.5627 4.5627 4.5627 4.9797 4.9797 4.9797 4.9797 9.8624 9.8624 9.8624 9.8624 11.8826 11.8826 11.8826 11.8826 k = 0.2586 0.1493 0.2044 ( 2670 PWs) bands (ev): -39.8210 -39.8210 -39.8210 -39.8210 -39.6920 -39.6920 -39.6920 -39.6920 -19.2970 -19.2970 -19.2970 -19.2970 -9.4052 -9.4052 -9.4052 -9.4052 -2.5286 -2.5286 -2.5286 -2.5286 -1.2265 -1.2265 -1.2265 -1.2265 -0.5592 -0.5592 -0.5592 -0.5592 4.5262 4.5262 4.5262 4.5262 4.9657 4.9657 4.9657 4.9657 9.8875 9.8875 9.8875 9.8875 11.9517 11.9517 11.9517 11.9517 k = 0.2672 0.1543 0.2044 ( 2664 PWs) bands (ev): -39.8192 -39.8192 -39.8192 -39.8192 -39.6929 -39.6929 -39.6929 -39.6929 -19.2927 -19.2927 -19.2927 -19.2927 -9.4017 -9.4017 -9.4017 -9.4017 -2.5263 -2.5263 -2.5263 -2.5263 -1.2700 -1.2700 -1.2700 -1.2700 -0.5726 -0.5726 -0.5726 -0.5726 4.4900 4.4900 4.4900 4.4900 4.9519 4.9519 4.9519 4.9519 9.9131 9.9131 9.9131 9.9131 12.0181 12.0181 12.0181 12.0181 k = 0.2759 0.1593 0.2044 ( 2662 PWs) bands (ev): -39.8174 -39.8174 -39.8174 -39.8174 -39.6939 -39.6939 -39.6939 -39.6939 -19.2885 -19.2885 -19.2885 -19.2885 -9.3983 -9.3983 -9.3983 -9.3983 -2.5241 -2.5241 -2.5241 -2.5241 -1.3129 -1.3129 -1.3129 -1.3129 -0.5858 -0.5858 -0.5858 -0.5858 4.4539 4.4539 4.4539 4.4539 4.9381 4.9381 4.9381 4.9381 9.9392 9.9392 9.9392 9.9392 12.0812 12.0812 12.0812 12.0812 k = 0.2845 0.1642 0.2044 ( 2666 PWs) bands (ev): -39.8155 -39.8155 -39.8155 -39.8155 -39.6950 -39.6950 -39.6950 -39.6950 -19.2843 -19.2843 -19.2843 -19.2843 -9.3948 -9.3948 -9.3948 -9.3948 -2.5219 -2.5219 -2.5219 -2.5219 -1.3550 -1.3550 -1.3550 -1.3550 -0.5988 -0.5988 -0.5988 -0.5988 4.4183 4.4183 4.4183 4.4183 4.9246 4.9246 4.9246 4.9246 9.9657 9.9657 9.9657 9.9657 12.1407 12.1407 12.1407 12.1407 k = 0.2931 0.1692 0.2044 ( 2672 PWs) bands (ev): -39.8137 -39.8137 -39.8137 -39.8137 -39.6960 -39.6960 -39.6960 -39.6960 -19.2802 -19.2802 -19.2802 -19.2802 -9.3914 -9.3914 -9.3914 -9.3914 -2.5198 -2.5198 -2.5198 -2.5198 -1.3964 -1.3964 -1.3964 -1.3964 -0.6117 -0.6117 -0.6117 -0.6117 4.3832 4.3832 4.3832 4.3832 4.9113 4.9113 4.9113 4.9113 9.9925 9.9925 9.9925 9.9925 12.1960 12.1960 12.1960 12.1960 k = 0.3017 0.1742 0.2044 ( 2670 PWs) bands (ev): -39.8118 -39.8118 -39.8118 -39.8118 -39.6971 -39.6971 -39.6971 -39.6971 -19.2760 -19.2760 -19.2760 -19.2760 -9.3880 -9.3880 -9.3880 -9.3880 -2.5177 -2.5177 -2.5177 -2.5177 -1.4367 -1.4367 -1.4367 -1.4367 -0.6243 -0.6243 -0.6243 -0.6243 4.3486 4.3486 4.3486 4.3486 4.8982 4.8982 4.8982 4.8982 10.0197 10.0197 10.0197 10.0197 12.2468 12.2468 12.2468 12.2468 k = 0.3103 0.1792 0.2044 ( 2666 PWs) bands (ev): -39.8100 -39.8100 -39.8100 -39.8100 -39.6982 -39.6982 -39.6982 -39.6982 -19.2720 -19.2720 -19.2720 -19.2720 -9.3846 -9.3846 -9.3846 -9.3846 -2.5157 -2.5157 -2.5157 -2.5157 -1.4760 -1.4760 -1.4760 -1.4760 -0.6367 -0.6367 -0.6367 -0.6367 4.3148 4.3148 4.3148 4.3148 4.8854 4.8854 4.8854 4.8854 10.0470 10.0470 10.0470 10.0470 12.2928 12.2928 12.2928 12.2928 k = 0.3190 0.1842 0.2044 ( 2662 PWs) bands (ev): -39.8081 -39.8081 -39.8081 -39.8081 -39.6993 -39.6993 -39.6993 -39.6993 -19.2681 -19.2681 -19.2681 -19.2681 -9.3813 -9.3813 -9.3813 -9.3813 -2.5137 -2.5137 -2.5137 -2.5137 -1.5142 -1.5142 -1.5142 -1.5142 -0.6487 -0.6487 -0.6487 -0.6487 4.2817 4.2817 4.2817 4.2817 4.8729 4.8729 4.8729 4.8729 10.0744 10.0744 10.0744 10.0744 12.3337 12.3337 12.3337 12.3337 k = 0.3276 0.1891 0.2044 ( 2666 PWs) bands (ev): -39.8062 -39.8062 -39.8062 -39.8062 -39.7004 -39.7004 -39.7004 -39.7004 -19.2642 -19.2642 -19.2642 -19.2642 -9.3781 -9.3781 -9.3781 -9.3781 -2.5119 -2.5119 -2.5119 -2.5119 -1.5511 -1.5511 -1.5511 -1.5511 -0.6604 -0.6604 -0.6604 -0.6604 4.2495 4.2495 4.2495 4.2495 4.8608 4.8608 4.8608 4.8608 10.1019 10.1019 10.1019 10.1019 12.3694 12.3694 12.3694 12.3694 k = 0.3362 0.1941 0.2044 ( 2662 PWs) bands (ev): -39.8044 -39.8044 -39.8044 -39.8044 -39.7015 -39.7015 -39.7015 -39.7015 -19.2605 -19.2605 -19.2605 -19.2605 -9.3750 -9.3750 -9.3750 -9.3750 -2.5101 -2.5101 -2.5101 -2.5101 -1.5867 -1.5867 -1.5867 -1.5867 -0.6718 -0.6718 -0.6718 -0.6718 4.2182 4.2182 4.2182 4.2182 4.8490 4.8490 4.8490 4.8490 10.1293 10.1293 10.1293 10.1293 12.4000 12.4000 12.4000 12.4000 k = 0.3448 0.1991 0.2044 ( 2666 PWs) bands (ev): -39.8025 -39.8025 -39.8025 -39.8025 -39.7026 -39.7026 -39.7026 -39.7026 -19.2568 -19.2568 -19.2568 -19.2568 -9.3719 -9.3719 -9.3719 -9.3719 -2.5084 -2.5084 -2.5084 -2.5084 -1.6210 -1.6210 -1.6210 -1.6210 -0.6827 -0.6827 -0.6827 -0.6827 4.1880 4.1880 4.1880 4.1880 4.8376 4.8376 4.8376 4.8376 10.1565 10.1565 10.1565 10.1565 12.4255 12.4255 12.4255 12.4255 k = 0.3534 0.2041 0.2044 ( 2670 PWs) bands (ev): -39.8007 -39.8007 -39.8007 -39.8007 -39.7037 -39.7037 -39.7037 -39.7037 -19.2533 -19.2533 -19.2533 -19.2533 -9.3690 -9.3690 -9.3690 -9.3690 -2.5069 -2.5069 -2.5069 -2.5069 -1.6537 -1.6537 -1.6537 -1.6537 -0.6933 -0.6933 -0.6933 -0.6933 4.1590 4.1590 4.1590 4.1590 4.8267 4.8267 4.8267 4.8267 10.1833 10.1833 10.1833 10.1833 12.4461 12.4461 12.4461 12.4461 k = 0.3621 0.2090 0.2044 ( 2670 PWs) bands (ev): -39.7990 -39.7990 -39.7990 -39.7990 -39.7049 -39.7049 -39.7049 -39.7049 -19.2499 -19.2499 -19.2499 -19.2499 -9.3661 -9.3661 -9.3661 -9.3661 -2.5054 -2.5054 -2.5054 -2.5054 -1.6849 -1.6849 -1.6849 -1.6849 -0.7033 -0.7033 -0.7033 -0.7033 4.1312 4.1312 4.1312 4.1312 4.8163 4.8163 4.8163 4.8163 10.2098 10.2098 10.2098 10.2098 12.4622 12.4622 12.4622 12.4622 k = 0.3707 0.2140 0.2044 ( 2666 PWs) bands (ev): -39.7972 -39.7972 -39.7972 -39.7972 -39.7060 -39.7060 -39.7060 -39.7060 -19.2467 -19.2467 -19.2467 -19.2467 -9.3634 -9.3634 -9.3634 -9.3634 -2.5040 -2.5040 -2.5040 -2.5040 -1.7145 -1.7145 -1.7145 -1.7145 -0.7129 -0.7129 -0.7129 -0.7129 4.1046 4.1046 4.1046 4.1046 4.8064 4.8064 4.8064 4.8064 10.2357 10.2357 10.2357 10.2357 12.4741 12.4741 12.4741 12.4741 k = 0.3793 0.2190 0.2044 ( 2666 PWs) bands (ev): -39.7955 -39.7955 -39.7955 -39.7955 -39.7071 -39.7071 -39.7071 -39.7071 -19.2436 -19.2436 -19.2436 -19.2436 -9.3608 -9.3608 -9.3608 -9.3608 -2.5028 -2.5028 -2.5028 -2.5028 -1.7424 -1.7424 -1.7424 -1.7424 -0.7220 -0.7220 -0.7220 -0.7220 4.0794 4.0794 4.0794 4.0794 4.7970 4.7970 4.7970 4.7970 10.2610 10.2610 10.2610 10.2610 12.4823 12.4823 12.4823 12.4823 k = 0.3879 0.2240 0.2044 ( 2670 PWs) bands (ev): -39.7939 -39.7939 -39.7939 -39.7939 -39.7082 -39.7082 -39.7082 -39.7082 -19.2407 -19.2407 -19.2407 -19.2407 -9.3583 -9.3583 -9.3583 -9.3583 -2.5017 -2.5017 -2.5017 -2.5017 -1.7686 -1.7686 -1.7686 -1.7686 -0.7306 -0.7306 -0.7306 -0.7306 4.0557 4.0557 4.0557 4.0557 4.7881 4.7881 4.7881 4.7881 10.2854 10.2854 10.2854 10.2854 12.4872 12.4872 12.4872 12.4872 k = 0.3966 0.2289 0.2044 ( 2670 PWs) bands (ev): -39.7923 -39.7923 -39.7923 -39.7923 -39.7092 -39.7092 -39.7092 -39.7092 -19.2380 -19.2380 -19.2380 -19.2380 -9.3560 -9.3560 -9.3560 -9.3560 -2.5007 -2.5007 -2.5007 -2.5007 -1.7930 -1.7930 -1.7930 -1.7930 -0.7386 -0.7386 -0.7386 -0.7386 4.0334 4.0334 4.0334 4.0334 4.7798 4.7798 4.7798 4.7798 10.3089 10.3089 10.3089 10.3089 12.4895 12.4895 12.4895 12.4895 k = 0.4052 0.2339 0.2044 ( 2662 PWs) bands (ev): -39.7908 -39.7908 -39.7908 -39.7908 -39.7103 -39.7103 -39.7103 -39.7103 -19.2354 -19.2354 -19.2354 -19.2354 -9.3539 -9.3539 -9.3539 -9.3539 -2.4998 -2.4998 -2.4998 -2.4998 -1.8156 -1.8156 -1.8156 -1.8156 -0.7461 -0.7461 -0.7461 -0.7461 4.0128 4.0128 4.0128 4.0128 4.7721 4.7721 4.7721 4.7721 10.3312 10.3312 10.3312 10.3312 12.4894 12.4894 12.4894 12.4894 k = 0.4138 0.2389 0.2044 ( 2662 PWs) bands (ev): -39.7893 -39.7893 -39.7893 -39.7893 -39.7113 -39.7113 -39.7113 -39.7113 -19.2331 -19.2331 -19.2331 -19.2331 -9.3519 -9.3519 -9.3519 -9.3519 -2.4990 -2.4990 -2.4990 -2.4990 -1.8363 -1.8363 -1.8363 -1.8363 -0.7530 -0.7530 -0.7530 -0.7530 3.9937 3.9937 3.9937 3.9937 4.7650 4.7650 4.7650 4.7650 10.3523 10.3523 10.3523 10.3523 12.4876 12.4876 12.4876 12.4876 k = 0.4224 0.2439 0.2044 ( 2668 PWs) bands (ev): -39.7880 -39.7880 -39.7880 -39.7880 -39.7122 -39.7122 -39.7122 -39.7122 -19.2309 -19.2309 -19.2309 -19.2309 -9.3500 -9.3500 -9.3500 -9.3500 -2.4983 -2.4983 -2.4983 -2.4983 -1.8551 -1.8551 -1.8551 -1.8551 -0.7592 -0.7592 -0.7592 -0.7592 3.9763 3.9763 3.9763 3.9763 4.7585 4.7585 4.7585 4.7585 10.3720 10.3720 10.3720 10.3720 12.4844 12.4844 12.4844 12.4844 k = 0.4310 0.2489 0.2044 ( 2672 PWs) bands (ev): -39.7867 -39.7867 -39.7867 -39.7867 -39.7131 -39.7131 -39.7131 -39.7131 -19.2290 -19.2290 -19.2290 -19.2290 -9.3484 -9.3484 -9.3484 -9.3484 -2.4977 -2.4977 -2.4977 -2.4977 -1.8720 -1.8720 -1.8720 -1.8720 -0.7649 -0.7649 -0.7649 -0.7649 3.9605 3.9605 3.9605 3.9605 4.7526 4.7526 4.7526 4.7526 10.3901 10.3901 10.3901 10.3901 12.4804 12.4804 12.4804 12.4804 k = 0.4397 0.2538 0.2044 ( 2672 PWs) bands (ev): -39.7856 -39.7856 -39.7856 -39.7856 -39.7139 -39.7139 -39.7139 -39.7139 -19.2273 -19.2273 -19.2273 -19.2273 -9.3469 -9.3469 -9.3469 -9.3469 -2.4973 -2.4973 -2.4973 -2.4973 -1.8870 -1.8870 -1.8870 -1.8870 -0.7699 -0.7699 -0.7699 -0.7699 3.9466 3.9466 3.9466 3.9466 4.7474 4.7474 4.7474 4.7474 10.4065 10.4065 10.4065 10.4065 12.4759 12.4759 12.4759 12.4759 k = 0.4483 0.2588 0.2044 ( 2672 PWs) bands (ev): -39.7846 -39.7846 -39.7846 -39.7846 -39.7146 -39.7146 -39.7146 -39.7146 -19.2258 -19.2258 -19.2258 -19.2258 -9.3456 -9.3456 -9.3456 -9.3456 -2.4969 -2.4969 -2.4969 -2.4969 -1.9000 -1.9000 -1.9000 -1.9000 -0.7743 -0.7743 -0.7743 -0.7743 3.9344 3.9344 3.9344 3.9344 4.7429 4.7429 4.7429 4.7429 10.4211 10.4211 10.4211 10.4211 12.4712 12.4712 12.4712 12.4712 k = 0.4569 0.2638 0.2044 ( 2668 PWs) bands (ev): -39.7837 -39.7837 -39.7837 -39.7837 -39.7152 -39.7152 -39.7152 -39.7152 -19.2245 -19.2245 -19.2245 -19.2245 -9.3445 -9.3445 -9.3445 -9.3445 -2.4965 -2.4965 -2.4965 -2.4965 -1.9110 -1.9110 -1.9110 -1.9110 -0.7780 -0.7780 -0.7780 -0.7780 3.9241 3.9241 3.9241 3.9241 4.7391 4.7391 4.7391 4.7391 10.4337 10.4337 10.4337 10.4337 12.4667 12.4667 12.4667 12.4667 k = 0.4655 0.2688 0.2044 ( 2678 PWs) bands (ev): -39.7830 -39.7830 -39.7830 -39.7830 -39.7157 -39.7157 -39.7157 -39.7157 -19.2234 -19.2234 -19.2234 -19.2234 -9.3436 -9.3436 -9.3436 -9.3436 -2.4963 -2.4963 -2.4963 -2.4963 -1.9201 -1.9201 -1.9201 -1.9201 -0.7810 -0.7810 -0.7810 -0.7810 3.9156 3.9156 3.9156 3.9156 4.7359 4.7359 4.7359 4.7359 10.4441 10.4441 10.4441 10.4441 12.4626 12.4626 12.4626 12.4626 k = 0.4741 0.2737 0.2044 ( 2676 PWs) bands (ev): -39.7824 -39.7824 -39.7824 -39.7824 -39.7162 -39.7162 -39.7162 -39.7162 -19.2226 -19.2226 -19.2226 -19.2226 -9.3429 -9.3429 -9.3429 -9.3429 -2.4961 -2.4961 -2.4961 -2.4961 -1.9271 -1.9271 -1.9271 -1.9271 -0.7834 -0.7834 -0.7834 -0.7834 3.9089 3.9089 3.9089 3.9089 4.7334 4.7334 4.7334 4.7334 10.4524 10.4524 10.4524 10.4524 12.4592 12.4592 12.4593 12.4593 k = 0.4828 0.2787 0.2044 ( 2676 PWs) bands (ev): -39.7820 -39.7820 -39.7820 -39.7820 -39.7165 -39.7165 -39.7165 -39.7165 -19.2220 -19.2220 -19.2220 -19.2220 -9.3424 -9.3424 -9.3424 -9.3424 -2.4960 -2.4960 -2.4960 -2.4960 -1.9321 -1.9321 -1.9321 -1.9321 -0.7851 -0.7851 -0.7851 -0.7851 3.9042 3.9042 3.9042 3.9042 4.7317 4.7317 4.7317 4.7317 10.4583 10.4583 10.4583 10.4583 12.4567 12.4567 12.4567 12.4567 k = 0.4914 0.2837 0.2044 ( 2680 PWs) bands (ev): -39.7817 -39.7817 -39.7817 -39.7817 -39.7167 -39.7167 -39.7167 -39.7167 -19.2217 -19.2217 -19.2217 -19.2217 -9.3421 -9.3421 -9.3421 -9.3421 -2.4959 -2.4959 -2.4959 -2.4959 -1.9351 -1.9351 -1.9351 -1.9351 -0.7862 -0.7862 -0.7862 -0.7862 3.9013 3.9013 3.9013 3.9013 4.7306 4.7306 4.7306 4.7306 10.4619 10.4619 10.4619 10.4619 12.4551 12.4551 12.4551 12.4551 k = 0.5000 0.2887 0.2044 ( 2676 PWs) bands (ev): -39.7816 -39.7816 -39.7816 -39.7816 -39.7167 -39.7167 -39.7167 -39.7167 -19.2215 -19.2215 -19.2215 -19.2215 -9.3420 -9.3420 -9.3420 -9.3420 -2.4959 -2.4959 -2.4959 -2.4959 -1.9361 -1.9361 -1.9361 -1.9361 -0.7865 -0.7865 -0.7865 -0.7865 3.9003 3.9003 3.9003 3.9003 4.7303 4.7303 4.7303 4.7303 10.4631 10.4631 10.4631 10.4631 12.4546 12.4546 12.4546 12.4546 k = 0.5000 0.2887 0.2044 ( 2676 PWs) bands (ev): -39.7816 -39.7816 -39.7816 -39.7816 -39.7167 -39.7167 -39.7167 -39.7167 -19.2215 -19.2215 -19.2215 -19.2215 -9.3420 -9.3420 -9.3420 -9.3420 -2.4959 -2.4959 -2.4959 -2.4959 -1.9361 -1.9361 -1.9361 -1.9361 -0.7865 -0.7865 -0.7865 -0.7865 3.9003 3.9003 3.9003 3.9003 4.7303 4.7303 4.7303 4.7303 10.4631 10.4631 10.4631 10.4631 12.4546 12.4546 12.4546 12.4546 k = 0.4951 0.2972 0.2044 ( 2676 PWs) bands (ev): -39.7816 -39.7816 -39.7816 -39.7816 -39.7167 -39.7167 -39.7167 -39.7167 -19.2215 -19.2215 -19.2215 -19.2215 -9.3419 -9.3419 -9.3419 -9.3419 -2.4957 -2.4957 -2.4957 -2.4957 -1.9362 -1.9362 -1.9359 -1.9359 -0.7878 -0.7878 -0.7873 -0.7873 3.8989 3.8989 3.9003 3.9003 4.7297 4.7297 4.7313 4.7313 10.4646 10.4646 10.4647 10.4647 12.4546 12.4546 12.4547 12.4547 k = 0.4902 0.3057 0.2044 ( 2676 PWs) bands (ev): -39.7815 -39.7815 -39.7815 -39.7815 -39.7168 -39.7168 -39.7168 -39.7168 -19.2214 -19.2214 -19.2214 -19.2214 -9.3418 -9.3418 -9.3418 -9.3418 -2.4951 -2.4951 -2.4950 -2.4950 -1.9360 -1.9360 -1.9354 -1.9354 -0.7911 -0.7911 -0.7903 -0.7903 3.8961 3.8961 3.8988 3.8988 4.7295 4.7295 4.7328 4.7328 10.4693 10.4693 10.4695 10.4695 12.4548 12.4548 12.4548 12.4548 k = 0.4853 0.3141 0.2044 ( 2672 PWs) bands (ev): -39.7814 -39.7814 -39.7814 -39.7814 -39.7169 -39.7169 -39.7169 -39.7169 -19.2212 -19.2212 -19.2212 -19.2212 -9.3416 -9.3416 -9.3416 -9.3416 -2.4940 -2.4940 -2.4939 -2.4939 -1.9356 -1.9356 -1.9348 -1.9348 -0.7965 -0.7965 -0.7953 -0.7953 3.8919 3.8919 3.8959 3.8959 4.7298 4.7298 4.7347 4.7347 10.4771 10.4771 10.4774 10.4774 12.4550 12.4550 12.4551 12.4551 k = 0.4804 0.3226 0.2044 ( 2676 PWs) bands (ev): -39.7812 -39.7812 -39.7812 -39.7812 -39.7170 -39.7170 -39.7170 -39.7170 -19.2209 -19.2209 -19.2209 -19.2209 -9.3413 -9.3413 -9.3413 -9.3413 -2.4925 -2.4925 -2.4923 -2.4923 -1.9350 -1.9350 -1.9339 -1.9339 -0.8040 -0.8040 -0.8023 -0.8023 3.8863 3.8863 3.8916 3.8916 4.7305 4.7305 4.7370 4.7370 10.4880 10.4880 10.4883 10.4883 12.4552 12.4552 12.4553 12.4553 k = 0.4755 0.3311 0.2044 ( 2676 PWs) bands (ev): -39.7810 -39.7810 -39.7810 -39.7810 -39.7172 -39.7172 -39.7172 -39.7172 -19.2206 -19.2206 -19.2206 -19.2206 -9.3410 -9.3410 -9.3410 -9.3410 -2.4906 -2.4906 -2.4904 -2.4904 -1.9341 -1.9341 -1.9327 -1.9327 -0.8134 -0.8134 -0.8114 -0.8114 3.8794 3.8794 3.8859 3.8859 4.7316 4.7316 4.7397 4.7397 10.5019 10.5019 10.5023 10.5023 12.4553 12.4553 12.4554 12.4554 k = 0.4706 0.3396 0.2044 ( 2676 PWs) bands (ev): -39.7807 -39.7807 -39.7807 -39.7807 -39.7174 -39.7174 -39.7174 -39.7174 -19.2202 -19.2202 -19.2202 -19.2202 -9.3405 -9.3405 -9.3405 -9.3405 -2.4883 -2.4883 -2.4880 -2.4880 -1.9331 -1.9331 -1.9314 -1.9314 -0.8248 -0.8248 -0.8223 -0.8223 3.8713 3.8713 3.8790 3.8790 4.7331 4.7331 4.7426 4.7426 10.5188 10.5188 10.5193 10.5193 12.4552 12.4552 12.4553 12.4553 k = 0.4657 0.3481 0.2044 ( 2672 PWs) bands (ev): -39.7803 -39.7803 -39.7803 -39.7803 -39.7177 -39.7177 -39.7177 -39.7177 -19.2197 -19.2197 -19.2197 -19.2197 -9.3400 -9.3400 -9.3400 -9.3400 -2.4856 -2.4856 -2.4853 -2.4853 -1.9318 -1.9318 -1.9298 -1.9298 -0.8380 -0.8380 -0.8351 -0.8351 3.8621 3.8621 3.8709 3.8709 4.7349 4.7349 4.7458 4.7458 10.5385 10.5385 10.5391 10.5391 12.4547 12.4547 12.4548 12.4548 k = 0.4608 0.3566 0.2044 ( 2668 PWs) bands (ev): -39.7799 -39.7799 -39.7799 -39.7799 -39.7180 -39.7180 -39.7180 -39.7180 -19.2191 -19.2191 -19.2191 -19.2191 -9.3395 -9.3395 -9.3395 -9.3395 -2.4826 -2.4826 -2.4821 -2.4821 -1.9303 -1.9303 -1.9280 -1.9280 -0.8530 -0.8530 -0.8496 -0.8496 3.8519 3.8519 3.8617 3.8617 4.7369 4.7369 4.7492 4.7492 10.5610 10.5610 10.5616 10.5616 12.4536 12.4536 12.4538 12.4538 k = 0.4559 0.3651 0.2044 ( 2668 PWs) bands (ev): -39.7795 -39.7795 -39.7795 -39.7795 -39.7183 -39.7183 -39.7183 -39.7183 -19.2185 -19.2185 -19.2185 -19.2185 -9.3388 -9.3388 -9.3388 -9.3388 -2.4791 -2.4791 -2.4787 -2.4787 -1.9286 -1.9286 -1.9259 -1.9259 -0.8696 -0.8696 -0.8657 -0.8657 3.8407 3.8407 3.8515 3.8515 4.7392 4.7392 4.7527 4.7527 10.5862 10.5862 10.5869 10.5869 12.4519 12.4519 12.4520 12.4520 k = 0.4510 0.3736 0.2044 ( 2672 PWs) bands (ev): -39.7790 -39.7790 -39.7790 -39.7790 -39.7187 -39.7187 -39.7187 -39.7187 -19.2179 -19.2178 -19.2178 -19.2178 -9.3381 -9.3381 -9.3381 -9.3381 -2.4754 -2.4754 -2.4749 -2.4749 -1.9266 -1.9266 -1.9236 -1.9236 -0.8877 -0.8877 -0.8834 -0.8834 3.8288 3.8288 3.8404 3.8404 4.7416 4.7416 4.7562 4.7562 10.6139 10.6139 10.6146 10.6146 12.4491 12.4491 12.4493 12.4493 k = 0.4461 0.3821 0.2044 ( 2672 PWs) bands (ev): -39.7785 -39.7785 -39.7785 -39.7785 -39.7191 -39.7191 -39.7191 -39.7191 -19.2171 -19.2171 -19.2171 -19.2171 -9.3374 -9.3374 -9.3374 -9.3374 -2.4714 -2.4714 -2.4709 -2.4709 -1.9244 -1.9244 -1.9210 -1.9210 -0.9072 -0.9072 -0.9024 -0.9024 3.8162 3.8162 3.8286 3.8286 4.7442 4.7442 4.7598 4.7598 10.6440 10.6440 10.6448 10.6448 12.4453 12.4453 12.4454 12.4454 k = 0.4412 0.3906 0.2044 ( 2668 PWs) bands (ev): -39.7779 -39.7779 -39.7779 -39.7779 -39.7195 -39.7195 -39.7195 -39.7195 -19.2163 -19.2163 -19.2163 -19.2163 -9.3366 -9.3366 -9.3366 -9.3366 -2.4671 -2.4671 -2.4666 -2.4666 -1.9220 -1.9220 -1.9182 -1.9182 -0.9280 -0.9280 -0.9227 -0.9227 3.8030 3.8030 3.8161 3.8161 4.7468 4.7468 4.7634 4.7634 10.6764 10.6764 10.6773 10.6773 12.4401 12.4401 12.4402 12.4402 k = 0.4363 0.3991 0.2044 ( 2672 PWs) bands (ev): -39.7773 -39.7773 -39.7773 -39.7773 -39.7200 -39.7200 -39.7200 -39.7200 -19.2155 -19.2155 -19.2155 -19.2155 -9.3357 -9.3357 -9.3357 -9.3357 -2.4626 -2.4626 -2.4621 -2.4621 -1.9194 -1.9194 -1.9151 -1.9151 -0.9499 -0.9499 -0.9441 -0.9441 3.7893 3.7893 3.8031 3.8031 4.7494 4.7494 4.7669 4.7669 10.7109 10.7109 10.7119 10.7119 12.4334 12.4334 12.4335 12.4335 k = 0.4314 0.4075 0.2044 ( 2670 PWs) bands (ev): -39.7766 -39.7766 -39.7766 -39.7766 -39.7205 -39.7205 -39.7205 -39.7205 -19.2147 -19.2147 -19.2147 -19.2147 -9.3348 -9.3348 -9.3348 -9.3348 -2.4579 -2.4579 -2.4573 -2.4573 -1.9165 -1.9165 -1.9118 -1.9118 -0.9727 -0.9727 -0.9664 -0.9664 3.7753 3.7753 3.7896 3.7896 4.7521 4.7521 4.7704 4.7704 10.7475 10.7475 10.7485 10.7485 12.4250 12.4250 12.4250 12.4250 k = 0.4265 0.4160 0.2044 ( 2670 PWs) bands (ev): -39.7759 -39.7759 -39.7759 -39.7759 -39.7210 -39.7210 -39.7210 -39.7210 -19.2138 -19.2138 -19.2138 -19.2138 -9.3339 -9.3339 -9.3339 -9.3339 -2.4530 -2.4530 -2.4525 -2.4525 -1.9134 -1.9134 -1.9082 -1.9082 -0.9963 -0.9963 -0.9895 -0.9895 3.7611 3.7611 3.7759 3.7759 4.7546 4.7546 4.7736 4.7736 10.7859 10.7859 10.7869 10.7869 12.4146 12.4146 12.4146 12.4146 k = 0.4216 0.4245 0.2044 ( 2672 PWs) bands (ev): -39.7752 -39.7752 -39.7752 -39.7752 -39.7216 -39.7216 -39.7216 -39.7216 -19.2129 -19.2129 -19.2129 -19.2129 -9.3330 -9.3330 -9.3330 -9.3330 -2.4481 -2.4481 -2.4475 -2.4475 -1.9101 -1.9101 -1.9044 -1.9044 -1.0206 -1.0206 -1.0132 -1.0132 3.7467 3.7467 3.7620 3.7620 4.7570 4.7570 4.7768 4.7768 10.8260 10.8260 10.8270 10.8270 12.4021 12.4021 12.4022 12.4022 k = 0.4167 0.4330 0.2044 ( 2672 PWs) bands (ev): -39.7744 -39.7744 -39.7744 -39.7744 -39.7222 -39.7222 -39.7222 -39.7222 -19.2120 -19.2120 -19.2120 -19.2120 -9.3320 -9.3320 -9.3320 -9.3320 -2.4430 -2.4430 -2.4424 -2.4424 -1.9066 -1.9066 -1.9004 -1.9004 -1.0453 -1.0453 -1.0373 -1.0373 3.7324 3.7324 3.7481 3.7481 4.7594 4.7594 4.7797 4.7797 10.8676 10.8676 10.8687 10.8687 12.3875 12.3875 12.3876 12.3876 k = 0.4118 0.4415 0.2044 ( 2672 PWs) bands (ev): -39.7736 -39.7736 -39.7736 -39.7736 -39.7228 -39.7228 -39.7228 -39.7228 -19.2110 -19.2110 -19.2110 -19.2110 -9.3311 -9.3311 -9.3311 -9.3311 -2.4379 -2.4379 -2.4374 -2.4374 -1.9029 -1.9029 -1.8961 -1.8961 -1.0703 -1.0703 -1.0617 -1.0617 3.7182 3.7182 3.7342 3.7342 4.7615 4.7615 4.7824 4.7824 10.9107 10.9107 10.9118 10.9118 12.3705 12.3705 12.3707 12.3707 k = 0.4069 0.4500 0.2044 ( 2680 PWs) bands (ev): -39.7728 -39.7728 -39.7728 -39.7728 -39.7235 -39.7235 -39.7235 -39.7235 -19.2101 -19.2101 -19.2101 -19.2101 -9.3301 -9.3301 -9.3301 -9.3301 -2.4328 -2.4328 -2.4323 -2.4323 -1.8991 -1.8991 -1.8917 -1.8917 -1.0953 -1.0953 -1.0860 -1.0860 3.7041 3.7041 3.7205 3.7205 4.7635 4.7635 4.7849 4.7849 10.9550 10.9550 10.9562 10.9562 12.3511 12.3511 12.3514 12.3514 k = 0.4020 0.4585 0.2044 ( 2680 PWs) bands (ev): -39.7719 -39.7719 -39.7719 -39.7719 -39.7241 -39.7241 -39.7241 -39.7241 -19.2092 -19.2092 -19.2091 -19.2091 -9.3292 -9.3292 -9.3292 -9.3292 -2.4278 -2.4278 -2.4273 -2.4273 -1.8952 -1.8952 -1.8871 -1.8871 -1.1202 -1.1202 -1.1103 -1.1103 3.6904 3.6904 3.7071 3.7071 4.7653 4.7653 4.7871 4.7871 11.0004 11.0004 11.0016 11.0016 12.3292 12.3292 12.3296 12.3296 k = 0.3971 0.4670 0.2044 ( 2680 PWs) bands (ev): -39.7711 -39.7711 -39.7711 -39.7711 -39.7248 -39.7248 -39.7248 -39.7248 -19.2082 -19.2082 -19.2082 -19.2082 -9.3282 -9.3282 -9.3282 -9.3282 -2.4229 -2.4229 -2.4224 -2.4224 -1.8911 -1.8911 -1.8823 -1.8823 -1.1448 -1.1448 -1.1341 -1.1341 3.6772 3.6772 3.6940 3.6940 4.7670 4.7670 4.7891 4.7891 11.0468 11.0468 11.0479 11.0479 12.3050 12.3050 12.3055 12.3055 k = 0.3922 0.4755 0.2044 ( 2676 PWs) bands (ev): -39.7702 -39.7702 -39.7702 -39.7702 -39.7255 -39.7255 -39.7255 -39.7255 -19.2073 -19.2073 -19.2073 -19.2073 -9.3273 -9.3273 -9.3273 -9.3273 -2.4181 -2.4181 -2.4177 -2.4177 -1.8871 -1.8871 -1.8776 -1.8776 -1.1688 -1.1688 -1.1574 -1.1574 3.6644 3.6644 3.6815 3.6815 4.7684 4.7684 4.7909 4.7909 11.0939 11.0939 11.0951 11.0951 12.2783 12.2783 12.2789 12.2789 k = 0.3873 0.4840 0.2044 ( 2678 PWs) bands (ev): -39.7694 -39.7694 -39.7694 -39.7694 -39.7262 -39.7262 -39.7262 -39.7262 -19.2065 -19.2065 -19.2064 -19.2064 -9.3264 -9.3264 -9.3264 -9.3264 -2.4135 -2.4135 -2.4131 -2.4131 -1.8830 -1.8830 -1.8728 -1.8728 -1.1921 -1.1921 -1.1799 -1.1799 3.6522 3.6522 3.6695 3.6695 4.7696 4.7696 4.7924 4.7924 11.1417 11.1417 11.1428 11.1428 12.2493 12.2493 12.2500 12.2500 k = 0.3824 0.4924 0.2044 ( 2670 PWs) bands (ev): -39.7685 -39.7685 -39.7685 -39.7685 -39.7269 -39.7269 -39.7269 -39.7269 -19.2056 -19.2056 -19.2056 -19.2056 -9.3256 -9.3256 -9.3255 -9.3255 -2.4091 -2.4091 -2.4088 -2.4088 -1.8791 -1.8791 -1.8680 -1.8680 -1.2143 -1.2143 -1.2014 -1.2014 3.6408 3.6408 3.6582 3.6582 4.7707 4.7707 4.7937 4.7937 11.1899 11.1899 11.1910 11.1910 12.2181 12.2181 12.2189 12.2189 k = 0.3775 0.5009 0.2044 ( 2678 PWs) bands (ev): -39.7677 -39.7677 -39.7677 -39.7677 -39.7276 -39.7276 -39.7276 -39.7276 -19.2048 -19.2048 -19.2048 -19.2048 -9.3248 -9.3248 -9.3248 -9.3248 -2.4050 -2.4050 -2.4047 -2.4047 -1.8753 -1.8753 -1.8634 -1.8634 -1.2353 -1.2353 -1.2216 -1.2216 3.6301 3.6301 3.6476 3.6476 4.7716 4.7716 4.7948 4.7948 11.2383 11.2383 11.2393 11.2393 12.1849 12.1849 12.1859 12.1859 k = 0.3725 0.5094 0.2044 ( 2674 PWs) bands (ev): -39.7669 -39.7669 -39.7669 -39.7669 -39.7282 -39.7282 -39.7282 -39.7282 -19.2041 -19.2041 -19.2041 -19.2041 -9.3240 -9.3240 -9.3240 -9.3240 -2.4012 -2.4012 -2.4010 -2.4010 -1.8717 -1.8717 -1.8591 -1.8591 -1.2548 -1.2548 -1.2404 -1.2404 3.6202 3.6202 3.6378 3.6378 4.7723 4.7723 4.7957 4.7957 11.2867 11.2867 11.2876 11.2876 12.1500 12.1500 12.1510 12.1510 k = 0.3676 0.5179 0.2044 ( 2670 PWs) bands (ev): -39.7661 -39.7661 -39.7661 -39.7661 -39.7289 -39.7289 -39.7289 -39.7289 -19.2034 -19.2034 -19.2034 -19.2034 -9.3233 -9.3233 -9.3233 -9.3233 -2.3978 -2.3978 -2.3976 -2.3976 -1.8685 -1.8685 -1.8551 -1.8551 -1.2726 -1.2726 -1.2575 -1.2575 3.6113 3.6113 3.6290 3.6290 4.7728 4.7728 4.7964 4.7964 11.3347 11.3347 11.3356 11.3356 12.1136 12.1136 12.1148 12.1148 k = 0.3627 0.5264 0.2044 ( 2670 PWs) bands (ev): -39.7654 -39.7654 -39.7654 -39.7654 -39.7295 -39.7295 -39.7295 -39.7295 -19.2028 -19.2028 -19.2028 -19.2028 -9.3227 -9.3227 -9.3227 -9.3227 -2.3947 -2.3947 -2.3945 -2.3945 -1.8656 -1.8656 -1.8515 -1.8515 -1.2886 -1.2886 -1.2727 -1.2727 3.6034 3.6034 3.6212 3.6212 4.7732 4.7732 4.7969 4.7969 11.3819 11.3819 11.3827 11.3827 12.0762 12.0762 12.0775 12.0775 k = 0.3578 0.5349 0.2044 ( 2666 PWs) bands (ev): -39.7647 -39.7647 -39.7647 -39.7647 -39.7300 -39.7300 -39.7300 -39.7300 -19.2022 -19.2022 -19.2022 -19.2022 -9.3221 -9.3221 -9.3221 -9.3221 -2.3920 -2.3920 -2.3919 -2.3919 -1.8632 -1.8632 -1.8484 -1.8484 -1.3024 -1.3024 -1.2858 -1.2858 3.5966 3.5966 3.6144 3.6144 4.7735 4.7735 4.7973 4.7973 11.4277 11.4277 11.4284 11.4284 12.0385 12.0385 12.0400 12.0400 k = 0.3529 0.5434 0.2044 ( 2658 PWs) bands (ev): -39.7642 -39.7642 -39.7642 -39.7642 -39.7305 -39.7305 -39.7305 -39.7305 -19.2018 -19.2018 -19.2018 -19.2018 -9.3217 -9.3217 -9.3217 -9.3217 -2.3898 -2.3898 -2.3897 -2.3897 -1.8612 -1.8612 -1.8458 -1.8458 -1.3139 -1.3139 -1.2968 -1.2968 3.5908 3.5908 3.6087 3.6087 4.7736 4.7736 4.7975 4.7975 11.4712 11.4712 11.4718 11.4718 12.0016 12.0016 12.0033 12.0033 k = 0.3480 0.5519 0.2044 ( 2664 PWs) bands (ev): -39.7637 -39.7637 -39.7637 -39.7637 -39.7309 -39.7309 -39.7309 -39.7309 -19.2014 -19.2014 -19.2014 -19.2014 -9.3213 -9.3213 -9.3213 -9.3213 -2.3880 -2.3880 -2.3880 -2.3880 -1.8598 -1.8598 -1.8439 -1.8439 -1.3229 -1.3229 -1.3054 -1.3054 3.5863 3.5863 3.6042 3.6042 4.7737 4.7737 4.7977 4.7977 11.5108 11.5108 11.5112 11.5112 11.9669 11.9669 11.9688 11.9688 k = 0.3431 0.5604 0.2044 ( 2668 PWs) bands (ev): -39.7634 -39.7634 -39.7633 -39.7633 -39.7312 -39.7312 -39.7312 -39.7312 -19.2011 -19.2011 -19.2011 -19.2011 -9.3211 -9.3211 -9.3211 -9.3211 -2.3868 -2.3868 -2.3867 -2.3867 -1.8588 -1.8588 -1.8426 -1.8426 -1.3294 -1.3294 -1.3115 -1.3115 3.5830 3.5830 3.6009 3.6009 4.7738 4.7738 4.7977 4.7977 11.5440 11.5440 11.5442 11.5442 11.9372 11.9372 11.9393 11.9393 k = 0.3382 0.5689 0.2044 ( 2668 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7314 -39.7314 -39.7314 -39.7314 -19.2010 -19.2010 -19.2009 -19.2009 -9.3209 -9.3209 -9.3209 -9.3209 -2.3860 -2.3860 -2.3860 -2.3860 -1.8583 -1.8583 -1.8419 -1.8419 -1.3333 -1.3333 -1.3152 -1.3152 3.5810 3.5810 3.5989 3.5989 4.7738 4.7738 4.7978 4.7978 11.5669 11.5669 11.5670 11.5670 11.9162 11.9162 11.9185 11.9185 k = 0.3333 0.5774 0.2044 ( 2670 PWs) bands (ev): -39.7631 -39.7631 -39.7630 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3857 -2.3857 -2.3857 -2.3857 -1.8582 -1.8582 -1.8417 -1.8417 -1.3346 -1.3346 -1.3164 -1.3164 3.5803 3.5803 3.5982 3.5982 4.7738 4.7738 4.7978 4.7978 11.5753 11.5753 11.5754 11.5754 11.9084 11.9084 11.9108 11.9108 k = 0.3333 0.5774 0.2044 ( 2670 PWs) bands (ev): -39.7631 -39.7631 -39.7630 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3857 -2.3857 -2.3857 -2.3857 -1.8582 -1.8582 -1.8417 -1.8417 -1.3346 -1.3346 -1.3164 -1.3164 3.5803 3.5803 3.5982 3.5982 4.7738 4.7738 4.7978 4.7978 11.5753 11.5753 11.5754 11.5754 11.9084 11.9084 11.9108 11.9108 k = 0.3284 0.5687 0.2044 ( 2666 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7314 -39.7314 -39.7314 -39.7314 -19.2010 -19.2010 -19.2009 -19.2009 -9.3209 -9.3209 -9.3209 -9.3209 -2.3860 -2.3860 -2.3860 -2.3860 -1.8583 -1.8583 -1.8418 -1.8418 -1.3333 -1.3333 -1.3152 -1.3152 3.5811 3.5811 3.5989 3.5989 4.7738 4.7738 4.7978 4.7978 11.5666 11.5666 11.5666 11.5666 11.9166 11.9166 11.9188 11.9188 k = 0.3234 0.5601 0.2044 ( 2662 PWs) bands (ev): -39.7634 -39.7634 -39.7634 -39.7634 -39.7312 -39.7312 -39.7312 -39.7312 -19.2011 -19.2011 -19.2011 -19.2011 -9.3211 -9.3211 -9.3211 -9.3211 -2.3868 -2.3868 -2.3868 -2.3868 -1.8585 -1.8585 -1.8423 -1.8423 -1.3295 -1.3295 -1.3116 -1.3116 3.5832 3.5832 3.6011 3.6011 4.7738 4.7738 4.7978 4.7978 11.5423 11.5423 11.5425 11.5425 11.9390 11.9390 11.9411 11.9411 k = 0.3184 0.5515 0.2044 ( 2670 PWs) bands (ev): -39.7638 -39.7638 -39.7638 -39.7638 -39.7308 -39.7308 -39.7308 -39.7308 -19.2015 -19.2015 -19.2015 -19.2015 -9.3214 -9.3214 -9.3214 -9.3214 -2.3881 -2.3881 -2.3881 -2.3881 -1.8586 -1.8586 -1.8427 -1.8427 -1.3232 -1.3232 -1.3057 -1.3057 3.5868 3.5868 3.6047 3.6047 4.7740 4.7740 4.7979 4.7979 11.5068 11.5068 11.5072 11.5072 11.9714 11.9714 11.9732 11.9732 k = 0.3134 0.5429 0.2044 ( 2670 PWs) bands (ev): -39.7644 -39.7644 -39.7644 -39.7644 -39.7303 -39.7303 -39.7303 -39.7303 -19.2019 -19.2019 -19.2019 -19.2019 -9.3218 -9.3218 -9.3218 -9.3218 -2.3900 -2.3900 -2.3899 -2.3899 -1.8586 -1.8586 -1.8431 -1.8431 -1.3148 -1.3148 -1.2976 -1.2976 3.5920 3.5920 3.6098 3.6098 4.7742 4.7742 4.7981 4.7981 11.4640 11.4640 11.4646 11.4646 12.0098 12.0098 12.0115 12.0115 k = 0.3085 0.5343 0.2044 ( 2672 PWs) bands (ev): -39.7651 -39.7651 -39.7651 -39.7651 -39.7297 -39.7297 -39.7297 -39.7297 -19.2025 -19.2025 -19.2025 -19.2025 -9.3224 -9.3224 -9.3224 -9.3224 -2.3923 -2.3923 -2.3922 -2.3922 -1.8581 -1.8581 -1.8431 -1.8431 -1.3043 -1.3043 -1.2876 -1.2876 3.5986 3.5986 3.6164 3.6164 4.7746 4.7746 4.7985 4.7985 11.4167 11.4167 11.4175 11.4175 12.0518 12.0518 12.0533 12.0533 k = 0.3035 0.5256 0.2044 ( 2676 PWs) bands (ev): -39.7660 -39.7660 -39.7660 -39.7660 -39.7290 -39.7290 -39.7290 -39.7290 -19.2033 -19.2033 -19.2033 -19.2033 -9.3231 -9.3231 -9.3231 -9.3231 -2.3952 -2.3952 -2.3950 -2.3950 -1.8570 -1.8570 -1.8425 -1.8425 -1.2920 -1.2920 -1.2758 -1.2758 3.6068 3.6068 3.6246 3.6246 4.7752 4.7752 4.7989 4.7989 11.3664 11.3664 11.3673 11.3673 12.0956 12.0956 12.0969 12.0969 k = 0.2985 0.5170 0.2044 ( 2676 PWs) bands (ev): -39.7670 -39.7670 -39.7670 -39.7670 -39.7281 -39.7281 -39.7281 -39.7281 -19.2042 -19.2042 -19.2042 -19.2042 -9.3240 -9.3240 -9.3240 -9.3240 -2.3984 -2.3984 -2.3982 -2.3982 -1.8551 -1.8551 -1.8412 -1.8412 -1.2780 -1.2780 -1.2624 -1.2624 3.6165 3.6165 3.6343 3.6343 4.7759 4.7759 4.7996 4.7996 11.3142 11.3142 11.3152 11.3152 12.1403 12.1403 12.1414 12.1414 k = 0.2935 0.5084 0.2044 ( 2680 PWs) bands (ev): -39.7682 -39.7682 -39.7682 -39.7682 -39.7272 -39.7272 -39.7272 -39.7271 -19.2053 -19.2053 -19.2052 -19.2052 -9.3250 -9.3250 -9.3250 -9.3250 -2.4021 -2.4021 -2.4018 -2.4018 -1.8524 -1.8524 -1.8391 -1.8391 -1.2626 -1.2626 -1.2474 -1.2474 3.6278 3.6278 3.6455 3.6455 4.7769 4.7769 4.8005 4.8005 11.2608 11.2608 11.2619 11.2619 12.1851 12.1851 12.1861 12.1861 k = 0.2886 0.4998 0.2044 ( 2676 PWs) bands (ev): -39.7694 -39.7694 -39.7694 -39.7694 -39.7261 -39.7261 -39.7261 -39.7261 -19.2065 -19.2065 -19.2065 -19.2065 -9.3261 -9.3261 -9.3261 -9.3261 -2.4061 -2.4061 -2.4058 -2.4058 -1.8486 -1.8486 -1.8360 -1.8360 -1.2458 -1.2458 -1.2312 -1.2312 3.6406 3.6406 3.6583 3.6583 4.7781 4.7781 4.8016 4.8016 11.2065 11.2065 11.2077 11.2077 12.2296 12.2296 12.2304 12.2304 k = 0.2836 0.4912 0.2044 ( 2684 PWs) bands (ev): -39.7708 -39.7708 -39.7708 -39.7708 -39.7250 -39.7250 -39.7250 -39.7250 -19.2079 -19.2079 -19.2079 -19.2079 -9.3274 -9.3274 -9.3274 -9.3274 -2.4104 -2.4104 -2.4100 -2.4100 -1.8438 -1.8438 -1.8317 -1.8317 -1.2278 -1.2278 -1.2138 -1.2138 3.6550 3.6550 3.6727 3.6727 4.7795 4.7795 4.8030 4.8030 11.1518 11.1518 11.1530 11.1530 12.2734 12.2734 12.2741 12.2741 k = 0.2786 0.4826 0.2044 ( 2684 PWs) bands (ev): -39.7722 -39.7722 -39.7722 -39.7722 -39.7239 -39.7239 -39.7239 -39.7239 -19.2094 -19.2094 -19.2094 -19.2094 -9.3289 -9.3289 -9.3289 -9.3289 -2.4149 -2.4149 -2.4145 -2.4145 -1.8377 -1.8377 -1.8261 -1.8261 -1.2088 -1.2088 -1.1953 -1.1953 3.6709 3.6709 3.6886 3.6886 4.7813 4.7813 4.8046 4.8046 11.0969 11.0969 11.0981 11.0981 12.3161 12.3161 12.3167 12.3167 k = 0.2736 0.4739 0.2044 ( 2682 PWs) bands (ev): -39.7738 -39.7738 -39.7738 -39.7738 -39.7227 -39.7227 -39.7227 -39.7227 -19.2111 -19.2111 -19.2111 -19.2111 -9.3304 -9.3304 -9.3304 -9.3304 -2.4197 -2.4197 -2.4192 -2.4192 -1.8303 -1.8303 -1.8193 -1.8193 -1.1888 -1.1888 -1.1760 -1.1760 3.6883 3.6883 3.7060 3.7060 4.7834 4.7834 4.8066 4.8066 11.0420 11.0420 11.0433 11.0433 12.3575 12.3575 12.3579 12.3579 k = 0.2687 0.4653 0.2044 ( 2678 PWs) bands (ev): -39.7754 -39.7754 -39.7754 -39.7754 -39.7214 -39.7214 -39.7214 -39.7214 -19.2130 -19.2130 -19.2130 -19.2130 -9.3322 -9.3322 -9.3322 -9.3322 -2.4246 -2.4246 -2.4241 -2.4241 -1.8215 -1.8215 -1.8111 -1.8111 -1.1681 -1.1681 -1.1558 -1.1558 3.7072 3.7072 3.7249 3.7249 4.7859 4.7859 4.8089 4.8089 10.9872 10.9872 10.9885 10.9885 12.3973 12.3973 12.3975 12.3975 k = 0.2637 0.4567 0.2044 ( 2676 PWs) bands (ev): -39.7770 -39.7770 -39.7770 -39.7770 -39.7202 -39.7202 -39.7202 -39.7202 -19.2150 -19.2150 -19.2150 -19.2150 -9.3340 -9.3340 -9.3340 -9.3340 -2.4296 -2.4296 -2.4291 -2.4291 -1.8114 -1.8114 -1.8015 -1.8015 -1.1467 -1.1467 -1.1349 -1.1349 3.7276 3.7276 3.7453 3.7453 4.7887 4.7887 4.8116 4.8116 10.9327 10.9327 10.9341 10.9341 12.4351 12.4351 12.4352 12.4352 k = 0.2587 0.4481 0.2044 ( 2672 PWs) bands (ev): -39.7787 -39.7787 -39.7787 -39.7787 -39.7189 -39.7189 -39.7189 -39.7189 -19.2172 -19.2171 -19.2171 -19.2171 -9.3360 -9.3360 -9.3360 -9.3360 -2.4347 -2.4347 -2.4341 -2.4341 -1.7999 -1.7999 -1.7904 -1.7904 -1.1248 -1.1248 -1.1134 -1.1134 3.7495 3.7495 3.7671 3.7671 4.7919 4.7919 4.8147 4.8147 10.8787 10.8787 10.8801 10.8801 12.4706 12.4706 12.4707 12.4707 k = 0.2537 0.4395 0.2044 ( 2668 PWs) bands (ev): -39.7805 -39.7805 -39.7805 -39.7805 -39.7176 -39.7176 -39.7176 -39.7176 -19.2195 -19.2195 -19.2195 -19.2195 -9.3382 -9.3382 -9.3382 -9.3382 -2.4398 -2.4398 -2.4392 -2.4392 -1.7868 -1.7868 -1.7779 -1.7779 -1.1023 -1.1023 -1.0914 -1.0914 3.7728 3.7728 3.7904 3.7904 4.7954 4.7954 4.8181 4.8181 10.8252 10.8252 10.8266 10.8266 12.5034 12.5034 12.5036 12.5036 k = 0.2488 0.4309 0.2044 ( 2668 PWs) bands (ev): -39.7823 -39.7823 -39.7823 -39.7823 -39.7162 -39.7162 -39.7162 -39.7162 -19.2220 -19.2220 -19.2220 -19.2220 -9.3405 -9.3405 -9.3404 -9.3404 -2.4449 -2.4449 -2.4443 -2.4443 -1.7724 -1.7724 -1.7639 -1.7639 -1.0794 -1.0794 -1.0690 -1.0690 3.7975 3.7975 3.8151 3.8151 4.7995 4.7995 4.8220 4.8220 10.7723 10.7723 10.7737 10.7737 12.5332 12.5332 12.5335 12.5335 k = 0.2438 0.4222 0.2044 ( 2668 PWs) bands (ev): -39.7841 -39.7841 -39.7841 -39.7841 -39.7149 -39.7149 -39.7149 -39.7149 -19.2247 -19.2247 -19.2247 -19.2247 -9.3429 -9.3429 -9.3429 -9.3429 -2.4499 -2.4499 -2.4493 -2.4493 -1.7564 -1.7564 -1.7483 -1.7483 -1.0562 -1.0562 -1.0462 -1.0462 3.8236 3.8236 3.8411 3.8411 4.8039 4.8039 4.8263 4.8263 10.7201 10.7201 10.7215 10.7215 12.5595 12.5595 12.5601 12.5601 k = 0.2388 0.4136 0.2044 ( 2668 PWs) bands (ev): -39.7860 -39.7860 -39.7860 -39.7860 -39.7136 -39.7136 -39.7136 -39.7136 -19.2275 -19.2275 -19.2275 -19.2275 -9.3454 -9.3454 -9.3454 -9.3454 -2.4549 -2.4549 -2.4543 -2.4543 -1.7389 -1.7389 -1.7312 -1.7312 -1.0327 -1.0327 -1.0231 -1.0231 3.8509 3.8509 3.8684 3.8684 4.8088 4.8088 4.8310 4.8310 10.6687 10.6687 10.6701 10.6701 12.5820 12.5820 12.5827 12.5827 k = 0.2338 0.4050 0.2044 ( 2664 PWs) bands (ev): -39.7879 -39.7879 -39.7879 -39.7879 -39.7123 -39.7123 -39.7123 -39.7123 -19.2304 -19.2304 -19.2304 -19.2304 -9.3480 -9.3480 -9.3480 -9.3480 -2.4598 -2.4598 -2.4592 -2.4592 -1.7200 -1.7200 -1.7126 -1.7126 -1.0090 -1.0090 -0.9998 -0.9998 3.8795 3.8795 3.8969 3.8969 4.8141 4.8141 4.8362 4.8362 10.6181 10.6181 10.6195 10.6195 12.6002 12.6002 12.6011 12.6011 k = 0.2289 0.3964 0.2044 ( 2668 PWs) bands (ev): -39.7898 -39.7898 -39.7898 -39.7898 -39.7109 -39.7109 -39.7109 -39.7109 -19.2335 -19.2335 -19.2335 -19.2335 -9.3508 -9.3508 -9.3508 -9.3508 -2.4646 -2.4646 -2.4640 -2.4640 -1.6995 -1.6995 -1.6925 -1.6925 -0.9851 -0.9851 -0.9763 -0.9763 3.9093 3.9093 3.9267 3.9267 4.8199 4.8199 4.8418 4.8418 10.5684 10.5684 10.5698 10.5698 12.6136 12.6136 12.6145 12.6145 k = 0.2239 0.3878 0.2044 ( 2664 PWs) bands (ev): -39.7917 -39.7917 -39.7917 -39.7917 -39.7096 -39.7096 -39.7096 -39.7096 -19.2368 -19.2368 -19.2368 -19.2368 -9.3537 -9.3537 -9.3537 -9.3537 -2.4693 -2.4693 -2.4687 -2.4687 -1.6775 -1.6775 -1.6708 -1.6708 -0.9611 -0.9611 -0.9527 -0.9527 3.9403 3.9403 3.9577 3.9577 4.8262 4.8262 4.8479 4.8479 10.5196 10.5196 10.5210 10.5210 12.6215 12.6215 12.6226 12.6226 k = 0.2189 0.3792 0.2044 ( 2666 PWs) bands (ev): -39.7937 -39.7937 -39.7937 -39.7937 -39.7083 -39.7083 -39.7083 -39.7083 -19.2401 -19.2401 -19.2401 -19.2401 -9.3566 -9.3566 -9.3566 -9.3566 -2.4739 -2.4739 -2.4733 -2.4733 -1.6541 -1.6541 -1.6477 -1.6477 -0.9371 -0.9371 -0.9290 -0.9290 3.9724 3.9724 3.9897 3.9897 4.8329 4.8329 4.8545 4.8545 10.4718 10.4718 10.4732 10.4732 12.6236 12.6236 12.6249 12.6249 k = 0.2139 0.3705 0.2044 ( 2674 PWs) bands (ev): -39.7956 -39.7956 -39.7956 -39.7956 -39.7070 -39.7070 -39.7070 -39.7070 -19.2436 -19.2436 -19.2436 -19.2436 -9.3597 -9.3597 -9.3597 -9.3597 -2.4783 -2.4783 -2.4778 -2.4778 -1.6292 -1.6292 -1.6231 -1.6231 -0.9131 -0.9131 -0.9054 -0.9054 4.0055 4.0055 4.0227 4.0227 4.8401 4.8401 4.8615 4.8615 10.4251 10.4251 10.4264 10.4264 12.6194 12.6194 12.6207 12.6207 k = 0.2090 0.3619 0.2044 ( 2670 PWs) bands (ev): -39.7976 -39.7976 -39.7976 -39.7976 -39.7057 -39.7057 -39.7057 -39.7057 -19.2472 -19.2472 -19.2472 -19.2472 -9.3629 -9.3629 -9.3628 -9.3628 -2.4826 -2.4826 -2.4821 -2.4821 -1.6029 -1.6029 -1.5970 -1.5970 -0.8891 -0.8891 -0.8817 -0.8817 4.0396 4.0396 4.0567 4.0567 4.8478 4.8478 4.8689 4.8689 10.3794 10.3794 10.3807 10.3807 12.6084 12.6085 12.6098 12.6098 k = 0.2040 0.3533 0.2044 ( 2670 PWs) bands (ev): -39.7996 -39.7996 -39.7996 -39.7996 -39.7044 -39.7044 -39.7044 -39.7044 -19.2510 -19.2510 -19.2509 -19.2509 -9.3661 -9.3661 -9.3661 -9.3661 -2.4868 -2.4868 -2.4863 -2.4863 -1.5751 -1.5751 -1.5695 -1.5695 -0.8653 -0.8653 -0.8582 -0.8582 4.0745 4.0745 4.0916 4.0916 4.8559 4.8559 4.8769 4.8769 10.3348 10.3348 10.3361 10.3361 12.5905 12.5905 12.5919 12.5919 k = 0.1990 0.3447 0.2044 ( 2666 PWs) bands (ev): -39.8016 -39.8016 -39.8016 -39.8016 -39.7032 -39.7032 -39.7032 -39.7032 -19.2548 -19.2548 -19.2548 -19.2548 -9.3694 -9.3694 -9.3694 -9.3694 -2.4908 -2.4908 -2.4904 -2.4904 -1.5460 -1.5460 -1.5406 -1.5406 -0.8415 -0.8415 -0.8347 -0.8347 4.1103 4.1103 4.1273 4.1273 4.8645 4.8645 4.8852 4.8852 10.2913 10.2913 10.2926 10.2926 12.5654 12.5654 12.5669 12.5669 k = 0.1940 0.3361 0.2044 ( 2666 PWs) bands (ev): -39.8036 -39.8036 -39.8036 -39.8036 -39.7020 -39.7020 -39.7020 -39.7020 -19.2587 -19.2587 -19.2587 -19.2587 -9.3728 -9.3728 -9.3728 -9.3728 -2.4948 -2.4948 -2.4943 -2.4943 -1.5155 -1.5155 -1.5103 -1.5103 -0.8180 -0.8180 -0.8114 -0.8114 4.1469 4.1469 4.1638 4.1638 4.8736 4.8736 4.8940 4.8940 10.2489 10.2489 10.2502 10.2502 12.5332 12.5332 12.5347 12.5347 k = 0.1891 0.3275 0.2044 ( 2662 PWs) bands (ev): -39.8055 -39.8055 -39.8055 -39.8055 -39.7008 -39.7008 -39.7008 -39.7008 -19.2627 -19.2627 -19.2627 -19.2627 -9.3762 -9.3762 -9.3762 -9.3762 -2.4986 -2.4986 -2.4981 -2.4981 -1.4838 -1.4838 -1.4788 -1.4788 -0.7946 -0.7946 -0.7883 -0.7883 4.1841 4.1841 4.2009 4.2009 4.8831 4.8831 4.9033 4.9033 10.2077 10.2077 10.2090 10.2090 12.4941 12.4941 12.4956 12.4956 k = 0.1841 0.3188 0.2044 ( 2658 PWs) bands (ev): -39.8075 -39.8075 -39.8075 -39.8075 -39.6996 -39.6996 -39.6996 -39.6996 -19.2667 -19.2667 -19.2667 -19.2667 -9.3797 -9.3797 -9.3797 -9.3797 -2.5022 -2.5022 -2.5018 -2.5018 -1.4507 -1.4507 -1.4459 -1.4459 -0.7715 -0.7715 -0.7655 -0.7655 4.2219 4.2219 4.2387 4.2387 4.8930 4.8930 4.9129 4.9129 10.1677 10.1677 10.1689 10.1689 12.4485 12.4485 12.4499 12.4499 k = 0.1791 0.3102 0.2044 ( 2654 PWs) bands (ev): -39.8095 -39.8095 -39.8095 -39.8095 -39.6984 -39.6984 -39.6984 -39.6984 -19.2709 -19.2709 -19.2709 -19.2709 -9.3832 -9.3832 -9.3832 -9.3832 -2.5058 -2.5058 -2.5054 -2.5054 -1.4165 -1.4165 -1.4119 -1.4119 -0.7486 -0.7486 -0.7429 -0.7429 4.2602 4.2602 4.2769 4.2769 4.9033 4.9033 4.9230 4.9230 10.1289 10.1289 10.1301 10.1301 12.3968 12.3968 12.3982 12.3982 k = 0.1741 0.3016 0.2044 ( 2642 PWs) bands (ev): -39.8114 -39.8114 -39.8114 -39.8114 -39.6973 -39.6973 -39.6973 -39.6973 -19.2751 -19.2751 -19.2751 -19.2751 -9.3867 -9.3867 -9.3867 -9.3867 -2.5093 -2.5093 -2.5089 -2.5089 -1.3812 -1.3812 -1.3767 -1.3767 -0.7261 -0.7261 -0.7206 -0.7206 4.2990 4.2990 4.3155 4.3155 4.9139 4.9139 4.9334 4.9334 10.0913 10.0913 10.0924 10.0924 12.3397 12.3397 12.3410 12.3410 k = 0.1692 0.2930 0.2044 ( 2652 PWs) bands (ev): -39.8134 -39.8134 -39.8134 -39.8134 -39.6962 -39.6962 -39.6962 -39.6962 -19.2793 -19.2793 -19.2793 -19.2793 -9.3903 -9.3903 -9.3903 -9.3903 -2.5126 -2.5126 -2.5123 -2.5123 -1.3447 -1.3447 -1.3405 -1.3405 -0.7038 -0.7038 -0.6986 -0.6986 4.3381 4.3381 4.3545 4.3545 4.9250 4.9250 4.9441 4.9441 10.0549 10.0549 10.0560 10.0560 12.2778 12.2778 12.2790 12.2790 k = 0.1642 0.2844 0.2044 ( 2656 PWs) bands (ev): -39.8153 -39.8153 -39.8153 -39.8153 -39.6951 -39.6951 -39.6951 -39.6951 -19.2836 -19.2836 -19.2836 -19.2836 -9.3939 -9.3939 -9.3939 -9.3939 -2.5159 -2.5159 -2.5156 -2.5156 -1.3073 -1.3073 -1.3032 -1.3032 -0.6820 -0.6820 -0.6769 -0.6769 4.3775 4.3775 4.3937 4.3937 4.9364 4.9364 4.9552 4.9552 10.0198 10.0198 10.0208 10.0208 12.2117 12.2117 12.2128 12.2128 k = 0.1592 0.2757 0.2044 ( 2648 PWs) bands (ev): -39.8172 -39.8172 -39.8172 -39.8172 -39.6940 -39.6940 -39.6940 -39.6940 -19.2879 -19.2879 -19.2879 -19.2879 -9.3975 -9.3975 -9.3975 -9.3975 -2.5190 -2.5190 -2.5188 -2.5188 -1.2690 -1.2690 -1.2650 -1.2650 -0.6605 -0.6605 -0.6557 -0.6557 4.4170 4.4170 4.4331 4.4331 4.9481 4.9481 4.9666 4.9666 9.9858 9.9858 9.9868 9.9868 12.1421 12.1421 12.1431 12.1431 k = 0.1542 0.2671 0.2044 ( 2654 PWs) bands (ev): -39.8191 -39.8191 -39.8191 -39.8191 -39.6930 -39.6930 -39.6930 -39.6930 -19.2922 -19.2922 -19.2922 -19.2922 -9.4011 -9.4011 -9.4011 -9.4011 -2.5221 -2.5221 -2.5218 -2.5218 -1.2298 -1.2298 -1.2260 -1.2260 -0.6395 -0.6395 -0.6349 -0.6349 4.4566 4.4566 4.4725 4.4725 4.9600 4.9600 4.9782 4.9782 9.9531 9.9531 9.9540 9.9540 12.0695 12.0695 12.0705 12.0705 k = 0.1493 0.2585 0.2044 ( 2662 PWs) bands (ev): -39.8209 -39.8209 -39.8209 -39.8209 -39.6920 -39.6920 -39.6920 -39.6920 -19.2966 -19.2966 -19.2966 -19.2966 -9.4047 -9.4047 -9.4047 -9.4047 -2.5251 -2.5251 -2.5248 -2.5248 -1.1899 -1.1899 -1.1863 -1.1863 -0.6188 -0.6188 -0.6145 -0.6145 4.4961 4.4961 4.5119 4.5119 4.9722 4.9722 4.9901 4.9901 9.9216 9.9216 9.9225 9.9225 11.9947 11.9947 11.9956 11.9956 k = 0.1443 0.2499 0.2044 ( 2658 PWs) bands (ev): -39.8227 -39.8227 -39.8227 -39.8227 -39.6911 -39.6911 -39.6911 -39.6911 -19.3009 -19.3009 -19.3009 -19.3009 -9.4083 -9.4083 -9.4083 -9.4083 -2.5280 -2.5280 -2.5278 -2.5278 -1.1494 -1.1494 -1.1459 -1.1459 -0.5987 -0.5987 -0.5945 -0.5945 4.5356 4.5356 4.5511 4.5511 4.9846 4.9846 5.0021 5.0021 9.8913 9.8913 9.8921 9.8921 11.9180 11.9180 11.9188 11.9188 k = 0.1393 0.2413 0.2044 ( 2658 PWs) bands (ev): -39.8245 -39.8245 -39.8245 -39.8245 -39.6901 -39.6901 -39.6901 -39.6901 -19.3052 -19.3052 -19.3052 -19.3052 -9.4118 -9.4118 -9.4118 -9.4118 -2.5308 -2.5308 -2.5306 -2.5306 -1.1083 -1.1083 -1.1049 -1.1049 -0.5790 -0.5790 -0.5750 -0.5750 4.5749 4.5749 4.5901 4.5901 4.9972 4.9972 5.0144 5.0144 9.8623 9.8623 9.8630 9.8630 11.8401 11.8401 11.8408 11.8408 k = 0.1343 0.2327 0.2044 ( 2662 PWs) bands (ev): -39.8262 -39.8262 -39.8262 -39.8262 -39.6892 -39.6892 -39.6892 -39.6892 -19.3095 -19.3095 -19.3095 -19.3095 -9.4153 -9.4153 -9.4153 -9.4153 -2.5335 -2.5335 -2.5333 -2.5333 -1.0668 -1.0668 -1.0636 -1.0636 -0.5599 -0.5599 -0.5561 -0.5561 4.6138 4.6138 4.6288 4.6288 5.0100 5.0100 5.0267 5.0267 9.8344 9.8344 9.8351 9.8351 11.7613 11.7613 11.7620 11.7620 k = 0.1294 0.2240 0.2044 ( 2660 PWs) bands (ev): -39.8279 -39.8279 -39.8279 -39.8279 -39.6884 -39.6884 -39.6884 -39.6884 -19.3137 -19.3137 -19.3137 -19.3137 -9.4188 -9.4188 -9.4188 -9.4188 -2.5362 -2.5362 -2.5360 -2.5360 -1.0250 -1.0250 -1.0219 -1.0219 -0.5412 -0.5412 -0.5376 -0.5376 4.6524 4.6524 4.6671 4.6671 5.0228 5.0228 5.0391 5.0391 9.8078 9.8078 9.8084 9.8084 11.6821 11.6821 11.6827 11.6827 k = 0.1244 0.2154 0.2044 ( 2660 PWs) bands (ev): -39.8296 -39.8296 -39.8296 -39.8296 -39.6875 -39.6875 -39.6875 -39.6875 -19.3179 -19.3179 -19.3179 -19.3179 -9.4222 -9.4222 -9.4222 -9.4222 -2.5387 -2.5387 -2.5386 -2.5386 -0.9830 -0.9830 -0.9801 -0.9801 -0.5231 -0.5231 -0.5197 -0.5197 4.6905 4.6905 4.7049 4.7049 5.0357 5.0357 5.0516 5.0516 9.7823 9.7823 9.7829 9.7829 11.6028 11.6028 11.6034 11.6034 k = 0.1194 0.2068 0.2044 ( 2664 PWs) bands (ev): -39.8312 -39.8312 -39.8312 -39.8312 -39.6867 -39.6867 -39.6867 -39.6867 -19.3220 -19.3220 -19.3220 -19.3220 -9.4256 -9.4256 -9.4256 -9.4256 -2.5412 -2.5412 -2.5411 -2.5411 -0.9410 -0.9410 -0.9382 -0.9382 -0.5056 -0.5056 -0.5023 -0.5023 4.7280 4.7280 4.7421 4.7421 5.0486 5.0486 5.0640 5.0640 9.7581 9.7581 9.7586 9.7586 11.5239 11.5239 11.5244 11.5244 k = 0.1144 0.1982 0.2044 ( 2660 PWs) bands (ev): -39.8328 -39.8328 -39.8328 -39.8328 -39.6859 -39.6859 -39.6859 -39.6859 -19.3260 -19.3260 -19.3260 -19.3260 -9.4288 -9.4288 -9.4288 -9.4288 -2.5436 -2.5436 -2.5435 -2.5435 -0.8991 -0.8991 -0.8963 -0.8963 -0.4887 -0.4887 -0.4856 -0.4856 4.7648 4.7648 4.7786 4.7786 5.0614 5.0614 5.0764 5.0764 9.7350 9.7350 9.7355 9.7355 11.4456 11.4456 11.4460 11.4460 k = 0.1095 0.1896 0.2044 ( 2664 PWs) bands (ev): -39.8343 -39.8343 -39.8343 -39.8343 -39.6852 -39.6852 -39.6852 -39.6852 -19.3300 -19.3300 -19.3300 -19.3300 -9.4320 -9.4320 -9.4320 -9.4320 -2.5460 -2.5460 -2.5459 -2.5459 -0.8573 -0.8573 -0.8547 -0.8547 -0.4723 -0.4723 -0.4694 -0.4694 4.8008 4.8008 4.8142 4.8142 5.0742 5.0742 5.0887 5.0887 9.7130 9.7130 9.7135 9.7135 11.3683 11.3683 11.3686 11.3686 k = 0.1045 0.1810 0.2044 ( 2680 PWs) bands (ev): -39.8358 -39.8358 -39.8358 -39.8358 -39.6845 -39.6845 -39.6845 -39.6845 -19.3339 -19.3339 -19.3339 -19.3339 -9.4352 -9.4352 -9.4352 -9.4352 -2.5482 -2.5482 -2.5481 -2.5481 -0.8160 -0.8160 -0.8135 -0.8135 -0.4566 -0.4566 -0.4538 -0.4538 4.8360 4.8360 4.8490 4.8490 5.0869 5.0869 5.1009 5.1009 9.6922 9.6922 9.6926 9.6926 11.2922 11.2922 11.2925 11.2925 k = 0.0995 0.1723 0.2044 ( 2680 PWs) bands (ev): -39.8373 -39.8373 -39.8373 -39.8373 -39.6838 -39.6838 -39.6838 -39.6838 -19.3376 -19.3376 -19.3376 -19.3376 -9.4382 -9.4382 -9.4382 -9.4382 -2.5504 -2.5504 -2.5503 -2.5503 -0.7751 -0.7751 -0.7728 -0.7728 -0.4415 -0.4415 -0.4388 -0.4388 4.8702 4.8702 4.8829 4.8829 5.0994 5.0994 5.1128 5.1128 9.6726 9.6726 9.6729 9.6729 11.2176 11.2176 11.2179 11.2179 k = 0.0945 0.1637 0.2044 ( 2678 PWs) bands (ev): -39.8386 -39.8386 -39.8386 -39.8386 -39.6832 -39.6832 -39.6832 -39.6832 -19.3413 -19.3413 -19.3413 -19.3413 -9.4411 -9.4411 -9.4411 -9.4411 -2.5525 -2.5525 -2.5524 -2.5524 -0.7349 -0.7349 -0.7327 -0.7327 -0.4270 -0.4270 -0.4245 -0.4245 4.9034 4.9034 4.9156 4.9156 5.1117 5.1117 5.1246 5.1246 9.6540 9.6540 9.6543 9.6543 11.1448 11.1448 11.1451 11.1451 k = 0.0896 0.1551 0.2044 ( 2692 PWs) bands (ev): -39.8399 -39.8399 -39.8399 -39.8399 -39.6825 -39.6825 -39.6825 -39.6825 -19.3448 -19.3448 -19.3448 -19.3448 -9.4439 -9.4439 -9.4439 -9.4439 -2.5545 -2.5545 -2.5544 -2.5544 -0.6956 -0.6956 -0.6934 -0.6934 -0.4132 -0.4132 -0.4109 -0.4109 4.9355 4.9355 4.9472 4.9472 5.1237 5.1237 5.1360 5.1360 9.6365 9.6365 9.6368 9.6368 11.0741 11.0741 11.0743 11.0743 k = 0.0846 0.1465 0.2044 ( 2692 PWs) bands (ev): -39.8412 -39.8412 -39.8412 -39.8412 -39.6820 -39.6820 -39.6820 -39.6820 -19.3482 -19.3482 -19.3482 -19.3482 -9.4466 -9.4466 -9.4466 -9.4466 -2.5564 -2.5564 -2.5563 -2.5563 -0.6571 -0.6571 -0.6551 -0.6551 -0.4000 -0.4000 -0.3978 -0.3978 4.9664 4.9664 4.9776 4.9776 5.1354 5.1354 5.1472 5.1472 9.6201 9.6201 9.6203 9.6203 11.0056 11.0056 11.0058 11.0058 k = 0.0796 0.1379 0.2044 ( 2692 PWs) bands (ev): -39.8424 -39.8424 -39.8424 -39.8424 -39.6814 -39.6814 -39.6814 -39.6814 -19.3514 -19.3514 -19.3514 -19.3514 -9.4492 -9.4492 -9.4492 -9.4492 -2.5582 -2.5582 -2.5582 -2.5582 -0.6199 -0.6199 -0.6180 -0.6180 -0.3875 -0.3875 -0.3855 -0.3855 4.9959 4.9959 5.0066 5.0066 5.1468 5.1468 5.1580 5.1580 9.6047 9.6047 9.6049 9.6049 10.9396 10.9396 10.9398 10.9398 k = 0.0746 0.1293 0.2044 ( 2690 PWs) bands (ev): -39.8435 -39.8435 -39.8435 -39.8435 -39.6809 -39.6809 -39.6809 -39.6809 -19.3545 -19.3545 -19.3545 -19.3545 -9.4516 -9.4516 -9.4516 -9.4516 -2.5599 -2.5599 -2.5599 -2.5599 -0.5838 -0.5838 -0.5821 -0.5821 -0.3757 -0.3757 -0.3739 -0.3739 5.0241 5.0241 5.0342 5.0342 5.1579 5.1579 5.1684 5.1684 9.5903 9.5903 9.5905 9.5905 10.8764 10.8764 10.8765 10.8765 k = 0.0697 0.1206 0.2044 ( 2682 PWs) bands (ev): -39.8446 -39.8446 -39.8446 -39.8446 -39.6804 -39.6804 -39.6804 -39.6804 -19.3574 -19.3574 -19.3574 -19.3574 -9.4540 -9.4540 -9.4540 -9.4540 -2.5616 -2.5616 -2.5615 -2.5615 -0.5493 -0.5493 -0.5476 -0.5476 -0.3646 -0.3646 -0.3629 -0.3629 5.0509 5.0509 5.0604 5.0604 5.1685 5.1685 5.1783 5.1783 9.5770 9.5770 9.5771 9.5771 10.8161 10.8161 10.8162 10.8162 k = 0.0647 0.1120 0.2044 ( 2686 PWs) bands (ev): -39.8456 -39.8456 -39.8456 -39.8456 -39.6800 -39.6800 -39.6800 -39.6800 -19.3602 -19.3602 -19.3602 -19.3602 -9.4562 -9.4562 -9.4562 -9.4562 -2.5631 -2.5631 -2.5631 -2.5631 -0.5163 -0.5163 -0.5148 -0.5148 -0.3542 -0.3542 -0.3526 -0.3526 5.0761 5.0761 5.0850 5.0850 5.1786 5.1786 5.1878 5.1878 9.5646 9.5646 9.5647 9.5647 10.7590 10.7590 10.7591 10.7591 k = 0.0597 0.1034 0.2044 ( 2686 PWs) bands (ev): -39.8465 -39.8465 -39.8465 -39.8465 -39.6796 -39.6796 -39.6796 -39.6796 -19.3628 -19.3628 -19.3628 -19.3628 -9.4582 -9.4582 -9.4582 -9.4582 -2.5645 -2.5645 -2.5645 -2.5645 -0.4851 -0.4851 -0.4837 -0.4837 -0.3445 -0.3445 -0.3431 -0.3431 5.0997 5.0997 5.1079 5.1079 5.1883 5.1883 5.1968 5.1968 9.5532 9.5532 9.5533 9.5533 10.7053 10.7053 10.7053 10.7053 k = 0.0547 0.0948 0.2044 ( 2694 PWs) bands (ev): -39.8474 -39.8474 -39.8474 -39.8474 -39.6792 -39.6792 -39.6792 -39.6792 -19.3652 -19.3652 -19.3652 -19.3652 -9.4601 -9.4601 -9.4601 -9.4601 -2.5659 -2.5659 -2.5659 -2.5659 -0.4558 -0.4558 -0.4545 -0.4545 -0.3355 -0.3355 -0.3342 -0.3342 5.1216 5.1216 5.1291 5.1291 5.1976 5.1976 5.2052 5.2052 9.5428 9.5428 9.5429 9.5429 10.6551 10.6551 10.6551 10.6551 k = 0.0498 0.0862 0.2044 ( 2698 PWs) bands (ev): -39.8482 -39.8482 -39.8482 -39.8482 -39.6789 -39.6789 -39.6789 -39.6789 -19.3674 -19.3674 -19.3674 -19.3674 -9.4619 -9.4619 -9.4619 -9.4619 -2.5671 -2.5671 -2.5671 -2.5671 -0.4285 -0.4285 -0.4273 -0.4273 -0.3272 -0.3272 -0.3260 -0.3260 5.1417 5.1417 5.1484 5.1484 5.2063 5.2063 5.2131 5.2131 9.5333 9.5333 9.5334 9.5334 10.6086 10.6086 10.6086 10.6086 k = 0.0448 0.0776 0.2044 ( 2698 PWs) bands (ev): -39.8489 -39.8489 -39.8489 -39.8489 -39.6785 -39.6785 -39.6785 -39.6785 -19.3695 -19.3695 -19.3695 -19.3695 -9.4635 -9.4635 -9.4635 -9.4635 -2.5682 -2.5682 -2.5682 -2.5682 -0.4035 -0.4035 -0.4024 -0.4024 -0.3196 -0.3196 -0.3185 -0.3185 5.1600 5.1600 5.1659 5.1659 5.2146 5.2146 5.2205 5.2205 9.5248 9.5248 9.5248 9.5248 10.5660 10.5660 10.5661 10.5661 k = 0.0398 0.0689 0.2044 ( 2698 PWs) bands (ev): -39.8496 -39.8496 -39.8496 -39.8496 -39.6783 -39.6783 -39.6783 -39.6783 -19.3713 -19.3713 -19.3713 -19.3713 -9.4649 -9.4649 -9.4649 -9.4649 -2.5692 -2.5692 -2.5692 -2.5692 -0.3808 -0.3808 -0.3799 -0.3799 -0.3126 -0.3126 -0.3117 -0.3117 5.1764 5.1764 5.1813 5.1813 5.2223 5.2223 5.2273 5.2273 9.5171 9.5171 9.5172 9.5172 10.5275 10.5275 10.5275 10.5275 k = 0.0348 0.0603 0.2044 ( 2698 PWs) bands (ev): -39.8502 -39.8502 -39.8502 -39.8502 -39.6780 -39.6780 -39.6780 -39.6780 -19.3729 -19.3729 -19.3729 -19.3729 -9.4662 -9.4662 -9.4662 -9.4662 -2.5701 -2.5701 -2.5701 -2.5701 -0.3607 -0.3607 -0.3599 -0.3599 -0.3063 -0.3063 -0.3055 -0.3055 5.1907 5.1907 5.1946 5.1946 5.2297 5.2297 5.2336 5.2336 9.5104 9.5104 9.5104 9.5104 10.4932 10.4932 10.4932 10.4932 k = 0.0299 0.0517 0.2044 ( 2702 PWs) bands (ev): -39.8507 -39.8507 -39.8507 -39.8507 -39.6778 -39.6778 -39.6778 -39.6778 -19.3744 -19.3744 -19.3744 -19.3744 -9.4673 -9.4673 -9.4673 -9.4673 -2.5709 -2.5709 -2.5709 -2.5709 -0.3432 -0.3432 -0.3426 -0.3426 -0.3005 -0.3005 -0.2998 -0.2998 5.2029 5.2029 5.2058 5.2058 5.2365 5.2365 5.2394 5.2394 9.5046 9.5046 9.5046 9.5046 10.4632 10.4632 10.4632 10.4632 k = 0.0249 0.0431 0.2044 ( 2702 PWs) bands (ev): -39.8511 -39.8511 -39.8511 -39.8511 -39.6776 -39.6776 -39.6776 -39.6776 -19.3756 -19.3756 -19.3756 -19.3756 -9.4682 -9.4682 -9.4682 -9.4682 -2.5716 -2.5716 -2.5716 -2.5716 -0.3287 -0.3287 -0.3283 -0.3283 -0.2951 -0.2951 -0.2947 -0.2947 5.2129 5.2129 5.2148 5.2148 5.2429 5.2429 5.2448 5.2448 9.4997 9.4997 9.4997 9.4997 10.4376 10.4376 10.4376 10.4376 k = 0.0199 0.0345 0.2044 ( 2702 PWs) bands (ev): -39.8514 -39.8514 -39.8514 -39.8514 -39.6775 -39.6775 -39.6775 -39.6775 -19.3766 -19.3766 -19.3766 -19.3766 -9.4690 -9.4690 -9.4690 -9.4690 -2.5721 -2.5721 -2.5721 -2.5721 -0.3173 -0.3173 -0.3170 -0.3170 -0.2902 -0.2902 -0.2899 -0.2899 5.2208 5.2208 5.2218 5.2218 5.2485 5.2485 5.2495 5.2495 9.4956 9.4956 9.4956 9.4956 10.4166 10.4166 10.4166 10.4166 k = 0.0149 0.0259 0.2044 ( 2700 PWs) bands (ev): -39.8517 -39.8517 -39.8517 -39.8517 -39.6774 -39.6774 -39.6774 -39.6774 -19.3773 -19.3773 -19.3773 -19.3773 -9.4696 -9.4696 -9.4696 -9.4696 -2.5725 -2.5725 -2.5725 -2.5725 -0.3090 -0.3090 -0.3089 -0.3089 -0.2856 -0.2856 -0.2854 -0.2854 5.2266 5.2266 5.2270 5.2270 5.2531 5.2531 5.2536 5.2536 9.4925 9.4925 9.4925 9.4925 10.4001 10.4001 10.4001 10.4001 k = 0.0100 0.0172 0.2044 ( 2704 PWs) bands (ev): -39.8519 -39.8519 -39.8519 -39.8519 -39.6773 -39.6773 -39.6773 -39.6773 -19.3779 -19.3779 -19.3779 -19.3779 -9.4700 -9.4700 -9.4700 -9.4700 -2.5728 -2.5728 -2.5728 -2.5728 -0.3036 -0.3036 -0.3036 -0.3036 -0.2818 -0.2818 -0.2817 -0.2817 5.2305 5.2305 5.2306 5.2306 5.2566 5.2566 5.2567 5.2567 9.4903 9.4903 9.4903 9.4903 10.3883 10.3883 10.3883 10.3883 k = 0.0050 0.0086 0.2044 ( 2708 PWs) bands (ev): -39.8520 -39.8520 -39.8520 -39.8520 -39.6772 -39.6772 -39.6772 -39.6772 -19.3782 -19.3782 -19.3782 -19.3782 -9.4703 -9.4703 -9.4703 -9.4703 -2.5730 -2.5730 -2.5730 -2.5730 -0.3007 -0.3007 -0.3007 -0.3007 -0.2792 -0.2792 -0.2792 -0.2792 5.2327 5.2327 5.2327 5.2327 5.2587 5.2587 5.2588 5.2588 9.4889 9.4889 9.4889 9.4889 10.3812 10.3812 10.3812 10.3812 k = 0.0000 0.0000 0.2044 ( 2708 PWs) bands (ev): -39.8521 -39.8521 -39.8521 -39.8521 -39.6772 -39.6772 -39.6772 -39.6772 -19.3783 -19.3783 -19.3783 -19.3783 -9.4704 -9.4704 -9.4704 -9.4704 -2.5731 -2.5731 -2.5731 -2.5731 -0.2998 -0.2998 -0.2998 -0.2998 -0.2783 -0.2783 -0.2783 -0.2783 5.2334 5.2334 5.2334 5.2334 5.2595 5.2595 5.2595 5.2595 9.4885 9.4885 9.4885 9.4885 10.3788 10.3788 10.3788 10.3788 k = 0.5000 0.2887 0.2044 ( 2676 PWs) bands (ev): -39.7816 -39.7816 -39.7816 -39.7816 -39.7167 -39.7167 -39.7167 -39.7167 -19.2215 -19.2215 -19.2215 -19.2215 -9.3420 -9.3420 -9.3420 -9.3420 -2.4959 -2.4959 -2.4959 -2.4959 -1.9361 -1.9361 -1.9361 -1.9361 -0.7865 -0.7865 -0.7865 -0.7865 3.9003 3.9003 3.9003 3.9003 4.7303 4.7303 4.7303 4.7303 10.4631 10.4631 10.4631 10.4631 12.4546 12.4546 12.4546 12.4546 k = 0.5000 0.2887 0.1947 ( 2676 PWs) bands (ev): -39.7827 -39.7827 -39.7806 -39.7806 -39.7178 -39.7178 -39.7157 -39.7157 -19.2216 -19.2216 -19.2214 -19.2214 -9.3458 -9.3458 -9.3382 -9.3382 -2.4978 -2.4978 -2.4947 -2.4947 -1.9360 -1.9360 -1.9354 -1.9354 -0.7975 -0.7975 -0.7754 -0.7754 3.8614 3.8614 3.9391 3.9391 4.6998 4.6998 4.7608 4.7608 10.4190 10.4190 10.5109 10.5109 12.3670 12.3670 12.5428 12.5428 k = 0.5000 0.2887 0.1850 ( 2676 PWs) bands (ev): -39.7837 -39.7837 -39.7795 -39.7795 -39.7189 -39.7189 -39.7147 -39.7147 -19.2217 -19.2217 -19.2213 -19.2213 -9.3495 -9.3495 -9.3344 -9.3344 -2.5004 -2.5004 -2.4942 -2.4942 -1.9350 -1.9350 -1.9339 -1.9339 -0.8083 -0.8083 -0.7644 -0.7644 3.8225 3.8225 3.9775 3.9775 4.6695 4.6695 4.7912 4.7912 10.3787 10.3787 10.5619 10.5619 12.2802 12.2802 12.6315 12.6315 k = 0.5000 0.2887 0.1752 ( 2672 PWs) bands (ev): -39.7846 -39.7846 -39.7784 -39.7784 -39.7200 -39.7200 -39.7138 -39.7138 -19.2218 -19.2218 -19.2212 -19.2212 -9.3533 -9.3533 -9.3306 -9.3306 -2.5036 -2.5036 -2.4944 -2.4944 -1.9332 -1.9332 -1.9315 -1.9315 -0.8189 -0.8189 -0.7533 -0.7533 3.7840 3.7840 4.0153 4.0153 4.6395 4.6395 4.8214 4.8214 10.3424 10.3424 10.6161 10.6161 12.1943 12.1943 12.7206 12.7206 k = 0.5000 0.2887 0.1655 ( 2672 PWs) bands (ev): -39.7855 -39.7855 -39.7772 -39.7772 -39.7211 -39.7211 -39.7129 -39.7129 -19.2219 -19.2219 -19.2211 -19.2211 -9.3569 -9.3569 -9.3269 -9.3269 -2.5073 -2.5073 -2.4952 -2.4952 -1.9306 -1.9306 -1.9284 -1.9284 -0.8293 -0.8293 -0.7424 -0.7424 3.7459 3.7459 4.0522 4.0522 4.6102 4.6102 4.8510 4.8510 10.3103 10.3103 10.6730 10.6730 12.1093 12.1093 12.8101 12.8101 k = 0.5000 0.2887 0.1558 ( 2676 PWs) bands (ev): -39.7864 -39.7864 -39.7761 -39.7761 -39.7223 -39.7223 -39.7120 -39.7120 -19.2220 -19.2220 -19.2211 -19.2211 -9.3604 -9.3604 -9.3232 -9.3232 -2.5116 -2.5116 -2.4966 -2.4966 -1.9273 -1.9273 -1.9246 -1.9246 -0.8394 -0.8394 -0.7316 -0.7316 3.7086 3.7086 4.0881 4.0881 4.5815 4.5815 4.8801 4.8801 10.2824 10.2824 10.7323 10.7323 12.0255 12.0255 12.8997 12.8997 k = 0.5000 0.2887 0.1460 ( 2674 PWs) bands (ev): -39.7873 -39.7873 -39.7749 -39.7749 -39.7234 -39.7234 -39.7112 -39.7112 -19.2221 -19.2221 -19.2210 -19.2210 -9.3638 -9.3638 -9.3197 -9.3197 -2.5163 -2.5163 -2.4985 -2.4985 -1.9234 -1.9234 -1.9203 -1.9203 -0.8491 -0.8491 -0.7210 -0.7210 3.6723 3.6723 4.1228 4.1228 4.5537 4.5537 4.9083 4.9083 10.2589 10.2589 10.7935 10.7935 11.9430 11.9430 12.9894 12.9894 k = 0.5000 0.2887 0.1363 ( 2682 PWs) bands (ev): -39.7880 -39.7880 -39.7737 -39.7737 -39.7246 -39.7246 -39.7104 -39.7104 -19.2222 -19.2222 -19.2209 -19.2209 -9.3672 -9.3672 -9.3162 -9.3162 -2.5214 -2.5214 -2.5008 -2.5008 -1.9190 -1.9190 -1.9155 -1.9155 -0.8584 -0.8584 -0.7108 -0.7108 3.6371 3.6371 4.1560 4.1560 4.5269 4.5269 4.9356 4.9356 10.2397 10.2397 10.8562 10.8562 11.8621 11.8621 13.0789 13.0789 k = 0.5000 0.2887 0.1266 ( 2678 PWs) bands (ev): -39.7888 -39.7888 -39.7725 -39.7725 -39.7258 -39.7258 -39.7097 -39.7097 -19.2222 -19.2222 -19.2208 -19.2208 -9.3703 -9.3703 -9.3129 -9.3129 -2.5266 -2.5266 -2.5034 -2.5034 -1.9142 -1.9142 -1.9104 -1.9104 -0.8672 -0.8672 -0.7009 -0.7009 3.6034 3.6034 4.1877 4.1877 4.5012 4.5012 4.9618 4.9618 10.2249 10.2249 10.9200 10.9200 11.7828 11.7828 13.1679 13.1679 k = 0.5000 0.2887 0.1168 ( 2678 PWs) bands (ev): -39.7895 -39.7895 -39.7713 -39.7713 -39.7270 -39.7270 -39.7090 -39.7090 -19.2223 -19.2223 -19.2208 -19.2208 -9.3733 -9.3733 -9.3098 -9.3098 -2.5320 -2.5320 -2.5062 -2.5062 -1.9092 -1.9092 -1.9051 -1.9051 -0.8756 -0.8756 -0.6914 -0.6914 3.5712 3.5712 4.2175 4.2175 4.4769 4.4769 4.9868 4.9868 10.2143 10.2143 10.9842 10.9842 11.7057 11.7057 13.2560 13.2560 k = 0.5000 0.2887 0.1071 ( 2678 PWs) bands (ev): -39.7901 -39.7901 -39.7701 -39.7701 -39.7282 -39.7282 -39.7084 -39.7084 -19.2224 -19.2224 -19.2207 -19.2207 -9.3761 -9.3761 -9.3068 -9.3068 -2.5373 -2.5373 -2.5092 -2.5092 -1.9040 -1.9040 -1.8997 -1.8997 -0.8834 -0.8834 -0.6825 -0.6825 3.5408 3.5408 4.2454 4.2454 4.4540 4.4540 5.0103 5.0103 10.2078 10.2078 11.0483 11.0483 11.6308 11.6308 13.3424 13.3424 k = 0.5000 0.2887 0.0974 ( 2680 PWs) bands (ev): -39.7907 -39.7907 -39.7689 -39.7689 -39.7294 -39.7294 -39.7078 -39.7078 -19.2224 -19.2224 -19.2206 -19.2206 -9.3787 -9.3787 -9.3040 -9.3040 -2.5426 -2.5426 -2.5122 -2.5122 -1.8989 -1.8989 -1.8943 -1.8943 -0.8907 -0.8907 -0.6740 -0.6740 3.5125 3.5125 4.2713 4.2713 4.4327 4.4327 5.0323 5.0323 10.2052 10.2052 11.1115 11.1115 11.5588 11.5588 13.4261 13.4261 k = 0.5000 0.2887 0.0876 ( 2680 PWs) bands (ev): -39.7912 -39.7912 -39.7678 -39.7678 -39.7305 -39.7305 -39.7073 -39.7073 -19.2225 -19.2225 -19.2206 -19.2206 -9.3811 -9.3811 -9.3015 -9.3015 -2.5477 -2.5477 -2.5152 -2.5152 -1.8938 -1.8938 -1.8891 -1.8891 -0.8974 -0.8974 -0.6662 -0.6662 3.4862 3.4862 4.2948 4.2948 4.4132 4.4132 5.0526 5.0526 10.2061 10.2061 11.1731 11.1731 11.4899 11.4899 13.5050 13.5050 k = 0.5000 0.2887 0.0779 ( 2684 PWs) bands (ev): -39.7917 -39.7917 -39.7666 -39.7666 -39.7316 -39.7316 -39.7068 -39.7068 -19.2226 -19.2226 -19.2205 -19.2205 -9.3833 -9.3833 -9.2991 -9.2991 -2.5525 -2.5525 -2.5181 -2.5181 -1.8889 -1.8889 -1.8841 -1.8841 -0.9034 -0.9034 -0.6591 -0.6591 3.4623 3.4623 4.3159 4.3159 4.3958 4.3958 5.0712 5.0712 10.2101 10.2101 11.2323 11.2323 11.4247 11.4247 13.5763 13.5763 k = 0.5000 0.2887 0.0681 ( 2684 PWs) bands (ev): -39.7921 -39.7921 -39.7656 -39.7656 -39.7327 -39.7327 -39.7064 -39.7064 -19.2226 -19.2226 -19.2205 -19.2205 -9.3852 -9.3852 -9.2970 -9.2970 -2.5569 -2.5569 -2.5208 -2.5208 -1.8843 -1.8843 -1.8794 -1.8794 -0.9088 -0.9088 -0.6526 -0.6526 3.4408 3.4408 4.3339 4.3339 4.3808 4.3808 5.0878 5.0878 10.2167 10.2167 11.2881 11.2881 11.3640 11.3640 13.6349 13.6349 k = 0.5000 0.2887 0.0584 ( 2682 PWs) bands (ev): -39.7925 -39.7925 -39.7646 -39.7646 -39.7337 -39.7337 -39.7060 -39.7060 -19.2226 -19.2226 -19.2204 -19.2204 -9.3869 -9.3869 -9.2952 -9.2952 -2.5609 -2.5609 -2.5233 -2.5233 -1.8802 -1.8802 -1.8752 -1.8752 -0.9136 -0.9136 -0.6470 -0.6470 3.4220 3.4220 4.3465 4.3465 4.3709 4.3709 5.1024 5.1024 10.2253 10.2253 11.3081 11.3081 11.3398 11.3398 13.6754 13.6754 k = 0.5000 0.2887 0.0487 ( 2690 PWs) bands (ev): -39.7928 -39.7928 -39.7637 -39.7637 -39.7346 -39.7346 -39.7057 -39.7057 -19.2227 -19.2227 -19.2204 -19.2204 -9.3884 -9.3884 -9.2936 -9.2936 -2.5644 -2.5644 -2.5255 -2.5255 -1.8765 -1.8765 -1.8716 -1.8716 -0.9176 -0.9176 -0.6421 -0.6421 3.4058 3.4058 4.3461 4.3461 4.3735 4.3735 5.1150 5.1150 10.2350 10.2350 11.2585 11.2585 11.3858 11.3858 13.6950 13.6950 k = 0.5000 0.2887 0.0389 ( 2690 PWs) bands (ev): -39.7931 -39.7931 -39.7629 -39.7629 -39.7353 -39.7353 -39.7055 -39.7055 -19.2227 -19.2227 -19.2204 -19.2204 -9.3896 -9.3896 -9.2923 -9.2923 -2.5673 -2.5673 -2.5273 -2.5273 -1.8734 -1.8734 -1.8685 -1.8685 -0.9209 -0.9209 -0.6380 -0.6380 3.3924 3.3924 4.3387 4.3387 4.3827 4.3827 5.1253 5.1253 10.2450 10.2450 11.2157 11.2157 11.4254 11.4254 13.6978 13.6978 k = 0.5000 0.2887 0.0292 ( 2686 PWs) bands (ev): -39.7933 -39.7933 -39.7622 -39.7622 -39.7360 -39.7360 -39.7053 -39.7053 -19.2228 -19.2228 -19.2204 -19.2204 -9.3905 -9.3905 -9.2912 -9.2912 -2.5696 -2.5696 -2.5288 -2.5288 -1.8709 -1.8709 -1.8660 -1.8660 -0.9235 -0.9235 -0.6348 -0.6348 3.3819 3.3819 4.3317 4.3317 4.3910 4.3910 5.1335 5.1335 10.2543 10.2543 11.1809 11.1809 11.4576 11.4576 13.6914 13.6914 k = 0.5000 0.2887 0.0195 ( 2690 PWs) bands (ev): -39.7934 -39.7934 -39.7618 -39.7618 -39.7365 -39.7365 -39.7051 -39.7051 -19.2228 -19.2228 -19.2204 -19.2204 -9.3912 -9.3912 -9.2905 -9.2905 -2.5713 -2.5713 -2.5299 -2.5299 -1.8691 -1.8691 -1.8642 -1.8642 -0.9254 -0.9254 -0.6326 -0.6326 3.3744 3.3744 4.3265 4.3265 4.3972 4.3972 5.1393 5.1393 10.2619 10.2619 11.1550 11.1550 11.4813 11.4813 13.6827 13.6827 k = 0.5000 0.2887 0.0097 ( 2666 PWs) bands (ev): -39.7935 -39.7935 -39.7614 -39.7614 -39.7368 -39.7368 -39.7050 -39.7050 -19.2228 -19.2228 -19.2203 -19.2203 -9.3916 -9.3916 -9.2900 -9.2900 -2.5723 -2.5723 -2.5306 -2.5306 -1.8680 -1.8680 -1.8631 -1.8631 -0.9265 -0.9265 -0.6312 -0.6312 3.3698 3.3698 4.3232 4.3232 4.4010 4.4010 5.1428 5.1428 10.2668 10.2668 11.1391 11.1391 11.4959 11.4959 13.6759 13.6759 k = 0.5000 0.2887-0.0000 ( 2666 PWs) bands (ev): -39.7935 -39.7935 -39.7613 -39.7613 -39.7369 -39.7369 -39.7050 -39.7050 -19.2228 -19.2228 -19.2203 -19.2203 -9.3917 -9.3917 -9.2899 -9.2899 -2.5727 -2.5727 -2.5308 -2.5308 -1.8677 -1.8677 -1.8627 -1.8627 -0.9269 -0.9269 -0.6307 -0.6307 3.3683 3.3683 4.3221 4.3221 4.4023 4.4023 5.1440 5.1440 10.2685 10.2685 11.1337 11.1337 11.5008 11.5008 13.6734 13.6734 k = 0.3333 0.5774-0.0000 ( 2679 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3941 -2.3941 -2.3939 -2.3939 -2.0821 -2.0821 -1.5698 -1.5698 -1.3220 -1.3220 -1.3041 -1.3041 2.8423 2.8423 4.3983 4.3983 4.7377 4.7377 4.7615 4.7615 10.9114 10.9114 11.9151 11.9151 11.9162 11.9162 13.0660 13.0660 k = 0.3333 0.5774 0.0097 ( 2679 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3941 -2.3941 -2.3939 -2.3939 -2.0815 -2.0815 -1.5707 -1.5707 -1.3221 -1.3221 -1.3041 -1.3041 2.8444 2.8444 4.3959 4.3959 4.7379 4.7379 4.7617 4.7617 10.9143 10.9143 11.9129 11.9129 11.9140 11.9140 13.0620 13.0620 k = 0.3333 0.5774 0.0195 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3939 -2.3939 -2.3937 -2.3937 -2.0797 -2.0797 -1.5733 -1.5733 -1.3223 -1.3223 -1.3043 -1.3043 2.8506 2.8506 4.3886 4.3886 4.7385 4.7385 4.7622 4.7622 10.9228 10.9228 11.9064 11.9064 11.9074 11.9074 13.0499 13.0499 k = 0.3333 0.5774 0.0292 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3937 -2.3937 -2.3935 -2.3935 -2.0767 -2.0767 -1.5777 -1.5777 -1.3227 -1.3227 -1.3047 -1.3047 2.8609 2.8609 4.3765 4.3765 4.7395 4.7395 4.7632 4.7632 10.9369 10.9369 11.8958 11.8958 11.8968 11.8968 13.0301 13.0301 k = 0.3333 0.5774 0.0389 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3204 -9.3204 -9.3204 -9.3204 -2.3934 -2.3934 -2.3932 -2.3932 -2.0726 -2.0726 -1.5837 -1.5837 -1.3231 -1.3231 -1.3051 -1.3051 2.8752 2.8752 4.3598 4.3598 4.7408 4.7408 4.7646 4.7646 10.9565 10.9565 11.8814 11.8814 11.8824 11.8824 13.0029 13.0029 k = 0.3333 0.5774 0.0487 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3205 -9.3205 -9.3205 -9.3205 -2.3930 -2.3930 -2.3928 -2.3928 -2.0672 -2.0672 -1.5913 -1.5913 -1.3237 -1.3237 -1.3057 -1.3057 2.8935 2.8935 4.3385 4.3385 4.7425 4.7425 4.7663 4.7663 10.9814 10.9814 11.8637 11.8637 11.8647 11.8647 12.9687 12.9687 k = 0.3333 0.5774 0.0584 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3205 -9.3205 -9.3205 -9.3205 -2.3925 -2.3925 -2.3924 -2.3924 -2.0607 -2.0607 -1.6004 -1.6004 -1.3244 -1.3244 -1.3064 -1.3064 2.9156 2.9156 4.3128 4.3128 4.7444 4.7444 4.7682 4.7682 11.0116 11.0116 11.8433 11.8433 11.8442 11.8442 12.9280 12.9280 k = 0.3333 0.5774 0.0681 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3205 -9.3205 -9.3205 -9.3205 -2.3920 -2.3920 -2.3919 -2.3919 -2.0531 -2.0531 -1.6111 -1.6111 -1.3252 -1.3252 -1.3072 -1.3072 2.9415 2.9415 4.2830 4.2830 4.7466 4.7466 4.7705 4.7705 11.0467 11.0467 11.8207 11.8207 11.8215 11.8215 12.8815 12.8815 k = 0.3333 0.5774 0.0779 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3205 -9.3205 -9.3205 -9.3205 -2.3915 -2.3915 -2.3913 -2.3913 -2.0444 -2.0444 -1.6231 -1.6231 -1.3260 -1.3260 -1.3080 -1.3080 2.9710 2.9710 4.2493 4.2493 4.7491 4.7491 4.7729 4.7729 11.0866 11.0866 11.7966 11.7966 11.7973 11.7973 12.8297 12.8297 k = 0.3333 0.5774 0.0876 ( 2664 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3206 -9.3206 -9.3206 -9.3206 -2.3909 -2.3909 -2.3908 -2.3908 -2.0346 -2.0346 -1.6363 -1.6363 -1.3269 -1.3269 -1.3089 -1.3089 3.0038 3.0038 4.2119 4.2119 4.7516 4.7516 4.7755 4.7755 11.1309 11.1309 11.7715 11.7715 11.7722 11.7722 12.7733 12.7733 k = 0.3333 0.5774 0.0974 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3206 -9.3206 -9.3206 -9.3206 -2.3903 -2.3903 -2.3902 -2.3902 -2.0238 -2.0238 -1.6507 -1.6507 -1.3278 -1.3278 -1.3098 -1.3098 3.0399 3.0399 4.1712 4.1712 4.7543 4.7543 4.7782 4.7782 11.1795 11.1795 11.7461 11.7461 11.7467 11.7467 12.7127 12.7127 k = 0.3333 0.5774 0.1071 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3206 -9.3206 -9.3206 -9.3206 -2.3896 -2.3896 -2.3895 -2.3895 -2.0120 -2.0120 -1.6661 -1.6661 -1.3288 -1.3288 -1.3107 -1.3107 3.0791 3.0791 4.1274 4.1274 4.7570 4.7570 4.7809 4.7809 11.2321 11.2321 11.7210 11.7210 11.7215 11.7215 12.6486 12.6486 k = 0.3333 0.5774 0.1168 ( 2679 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3207 -9.3207 -9.3207 -9.3207 -2.3890 -2.3890 -2.3889 -2.3889 -1.9992 -1.9992 -1.6824 -1.6824 -1.3297 -1.3297 -1.3116 -1.3116 3.1211 3.1211 4.0809 4.0809 4.7597 4.7597 4.7836 4.7836 11.2883 11.2883 11.6966 11.6966 11.6970 11.6970 12.5815 12.5815 k = 0.3333 0.5774 0.1266 ( 2673 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3207 -9.3207 -9.3207 -9.3207 -2.3884 -2.3884 -2.3883 -2.3883 -1.9855 -1.9855 -1.6995 -1.6995 -1.3306 -1.3306 -1.3125 -1.3125 3.1658 3.1658 4.0319 4.0319 4.7622 4.7622 4.7862 4.7862 11.3479 11.3479 11.6735 11.6735 11.6739 11.6739 12.5117 12.5117 k = 0.3333 0.5774 0.1363 ( 2664 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3207 -9.3207 -9.3207 -9.3207 -2.3878 -2.3878 -2.3878 -2.3878 -1.9709 -1.9709 -1.7172 -1.7172 -1.3314 -1.3314 -1.3133 -1.3133 3.2128 3.2128 3.9807 3.9807 4.7647 4.7647 4.7886 4.7886 11.4106 11.4106 11.6520 11.6520 11.6524 11.6524 12.4399 12.4399 k = 0.3333 0.5774 0.1460 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3873 -2.3873 -2.3873 -2.3873 -1.9556 -1.9556 -1.7354 -1.7354 -1.3322 -1.3322 -1.3141 -1.3141 3.2620 3.2620 3.9278 3.9278 4.7669 4.7669 4.7909 4.7909 11.4759 11.4759 11.6327 11.6327 11.6330 11.6330 12.3664 12.3664 k = 0.3333 0.5774 0.1558 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7631 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3869 -2.3869 -2.3868 -2.3868 -1.9395 -1.9395 -1.7541 -1.7541 -1.3329 -1.3329 -1.3148 -1.3148 3.3132 3.3132 3.8733 3.8733 4.7689 4.7689 4.7929 4.7929 11.5437 11.5437 11.6157 11.6157 11.6161 11.6161 12.2915 12.2915 k = 0.3333 0.5774 0.1655 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7631 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3865 -2.3865 -2.3864 -2.3864 -1.9228 -1.9228 -1.7730 -1.7730 -1.3335 -1.3335 -1.3154 -1.3154 3.3660 3.3660 3.8177 3.8177 4.7706 4.7706 4.7946 4.7946 11.6005 11.6005 11.6015 11.6015 11.6151 11.6151 12.2157 12.2157 k = 0.3333 0.5774 0.1752 ( 2676 PWs) bands (ev): -39.7631 -39.7631 -39.7630 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3861 -2.3861 -2.3861 -2.3861 -1.9056 -1.9056 -1.7920 -1.7920 -1.3340 -1.3340 -1.3158 -1.3158 3.4203 3.4203 3.7612 3.7612 4.7720 4.7720 4.7959 4.7959 11.5901 11.5901 11.5902 11.5902 11.6860 11.6860 12.1393 12.1393 k = 0.3333 0.5774 0.1850 ( 2664 PWs) bands (ev): -39.7631 -39.7630 -39.7630 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3859 -2.3859 -2.3859 -2.3859 -1.8879 -1.8879 -1.8109 -1.8109 -1.3343 -1.3343 -1.3162 -1.3162 3.4756 3.4756 3.7043 3.7043 4.7730 4.7730 4.7969 4.7969 11.5820 11.5820 11.5820 11.5820 11.7593 11.7593 12.0626 12.0626 k = 0.3333 0.5774 0.1947 ( 2670 PWs) bands (ev): -39.7631 -39.7631 -39.7630 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3858 -2.3858 -2.3858 -2.3858 -1.8704 -1.8704 -1.8292 -1.8292 -1.3345 -1.3345 -1.3164 -1.3164 3.5316 3.5316 3.6473 3.6473 4.7736 4.7736 4.7976 4.7976 11.5770 11.5770 11.5770 11.5770 11.8340 11.8340 11.9859 11.9859 k = 0.3333 0.5774 0.2044 ( 2670 PWs) bands (ev): -39.7631 -39.7631 -39.7630 -39.7630 -39.7315 -39.7315 -39.7315 -39.7315 -19.2009 -19.2009 -19.2009 -19.2009 -9.3208 -9.3208 -9.3208 -9.3208 -2.3857 -2.3857 -2.3857 -2.3857 -1.8582 -1.8582 -1.8417 -1.8417 -1.3346 -1.3346 -1.3164 -1.3164 3.5803 3.5803 3.5982 3.5982 4.7738 4.7738 4.7978 4.7978 11.5753 11.5753 11.5754 11.5754 11.9084 11.9084 11.9108 11.9108 Writing output data file Li2O2.save init_run : 1.66s CPU 12.10s WALL ( 1 calls) electrons : 596.28s CPU 605.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.42s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 596.27s CPU 605.08s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.96s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.16s CPU 0.59s WALL ( 1 calls) newd : 0.14s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.21s WALL ( 390 calls) cegterg : 563.45s CPU 568.97s WALL ( 897 calls) Called by sum_band: Called by *egterg: h_psi : 266.75s CPU 276.62s WALL ( 15360 calls) s_psi : 17.48s CPU 18.02s WALL ( 15360 calls) g_psi : 0.57s CPU 0.72s WALL ( 14073 calls) cdiaghg : 197.50s CPU 195.04s WALL ( 14463 calls) cegterg:over : 54.87s CPU 51.30s WALL ( 14073 calls) cegterg:upda : 7.41s CPU 10.77s WALL ( 14073 calls) cegterg:last : 8.02s CPU 9.31s WALL ( 3285 calls) Called by h_psi: h_psi:vloc : 216.85s CPU 224.58s WALL ( 15360 calls) h_psi:vnl : 49.73s CPU 51.18s WALL ( 15360 calls) add_vuspsi : 10.11s CPU 14.89s WALL ( 15360 calls) General routines calbec : 39.59s CPU 36.23s WALL ( 15360 calls) fft : 0.38s CPU 1.61s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 208.96s CPU 214.44s WALL ( 1731820 calls) interpolate : 0.06s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.09s WALL ( 780 calls) Parallel routines fft_scatter : 148.53s CPU 143.94s WALL ( 1731843 calls) PWSCF : 10m42.23s CPU 12m 4.42s WALL This run was terminated on: 7:10:59 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=