Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 9:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NixHOx2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 12 3 723 313 51 Max 22 13 4 730 327 58 Sum 769 451 139 26115 11517 1983 bravais-lattice index = 14 lattice parameter (alat) = 5.9148 a.u. unit-cell volume = 265.0921 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.914842 celldm(2)= 1.000000 celldm(3)= 1.479233 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 1.479233 ) 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 0.676026 ) PseudoPot. # 1 for O read from file: /users/gautes/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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 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 inv. 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 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 429 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 2) = ( 0.0086207 0.0049772 -0.0000000), wk = 0.0023310 k( 3) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0023310 k( 4) = ( 0.0258621 0.0149315 -0.0000000), wk = 0.0023310 k( 5) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0023310 k( 6) = ( 0.0431035 0.0248858 -0.0000000), wk = 0.0023310 k( 7) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0023310 k( 8) = ( 0.0603448 0.0348401 -0.0000000), wk = 0.0023310 k( 9) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0023310 k( 10) = ( 0.0775862 0.0447944 -0.0000000), wk = 0.0023310 k( 11) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0023310 k( 12) = ( 0.0948276 0.0547487 -0.0000000), wk = 0.0023310 k( 13) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0023310 k( 14) = ( 0.1120690 0.0647030 -0.0000000), wk = 0.0023310 k( 15) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0023310 k( 16) = ( 0.1293103 0.0746574 -0.0000000), wk = 0.0023310 k( 17) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0023310 k( 18) = ( 0.1465517 0.0846117 -0.0000000), wk = 0.0023310 k( 19) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0023310 k( 20) = ( 0.1637931 0.0945660 -0.0000000), wk = 0.0023310 k( 21) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0023310 k( 22) = ( 0.1810345 0.1045203 -0.0000000), wk = 0.0023310 k( 23) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0023310 k( 24) = ( 0.1982759 0.1144746 -0.0000000), wk = 0.0023310 k( 25) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0023310 k( 26) = ( 0.2155172 0.1244289 -0.0000000), wk = 0.0023310 k( 27) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0023310 k( 28) = ( 0.2327586 0.1343833 -0.0000000), wk = 0.0023310 k( 29) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0023310 k( 30) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0023310 k( 31) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0023310 k( 32) = ( 0.2672414 0.1542919 -0.0000000), wk = 0.0023310 k( 33) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0023310 k( 34) = ( 0.2844828 0.1642462 -0.0000000), wk = 0.0023310 k( 35) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0023310 k( 36) = ( 0.3017241 0.1742005 -0.0000000), wk = 0.0023310 k( 37) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0023310 k( 38) = ( 0.3189655 0.1841548 -0.0000000), wk = 0.0023310 k( 39) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0023310 k( 40) = ( 0.3362069 0.1941091 -0.0000000), wk = 0.0023310 k( 41) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0023310 k( 42) = ( 0.3534483 0.2040635 -0.0000000), wk = 0.0023310 k( 43) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0023310 k( 44) = ( 0.3706897 0.2140178 -0.0000000), wk = 0.0023310 k( 45) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0023310 k( 46) = ( 0.3879310 0.2239721 -0.0000000), wk = 0.0023310 k( 47) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0023310 k( 48) = ( 0.4051724 0.2339264 -0.0000000), wk = 0.0023310 k( 49) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0023310 k( 50) = ( 0.4224138 0.2438807 -0.0000000), wk = 0.0023310 k( 51) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0023310 k( 52) = ( 0.4396552 0.2538350 -0.0000000), wk = 0.0023310 k( 53) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0023310 k( 54) = ( 0.4568966 0.2637893 -0.0000000), wk = 0.0023310 k( 55) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0023310 k( 56) = ( 0.4741379 0.2737437 -0.0000000), wk = 0.0023310 k( 57) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0023310 k( 58) = ( 0.4913793 0.2836980 -0.0000000), wk = 0.0023310 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023310 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023310 k( 61) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0023310 k( 62) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0023310 k( 63) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0023310 k( 64) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0023310 k( 65) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0023310 k( 66) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0023310 k( 67) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0023310 k( 68) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0023310 k( 69) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0023310 k( 70) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0023310 k( 71) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0023310 k( 72) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0023310 k( 73) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0023310 k( 74) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0023310 k( 75) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0023310 k( 76) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0023310 k( 77) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023310 k( 78) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0023310 k( 79) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0023310 k( 80) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0023310 k( 81) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0023310 k( 82) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0023310 k( 83) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0023310 k( 84) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0023310 k( 85) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0023310 k( 86) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0023310 k( 87) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0023310 k( 88) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0023310 k( 89) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0023310 k( 90) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0023310 k( 91) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0023310 k( 92) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0023310 k( 93) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0023310 k( 94) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023310 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023310 k( 96) = ( 0.3283582 0.5687331 -0.0000000), wk = 0.0023310 k( 97) = ( 0.3233831 0.5601159 -0.0000000), wk = 0.0023310 k( 98) = ( 0.3184080 0.5514988 -0.0000000), wk = 0.0023310 k( 99) = ( 0.3134328 0.5428816 -0.0000000), wk = 0.0023310 k( 100) = ( 0.3084577 0.5342644 -0.0000000), wk = 0.0023310 k( 101) = ( 0.3034826 0.5256473 -0.0000000), wk = 0.0023310 k( 102) = ( 0.2985075 0.5170301 -0.0000000), wk = 0.0023310 k( 103) = ( 0.2935323 0.5084129 -0.0000000), wk = 0.0023310 k( 104) = ( 0.2885572 0.4997957 -0.0000000), wk = 0.0023310 k( 105) = ( 0.2835821 0.4911786 -0.0000000), wk = 0.0023310 k( 106) = ( 0.2786070 0.4825614 -0.0000000), wk = 0.0023310 k( 107) = ( 0.2736318 0.4739442 -0.0000000), wk = 0.0023310 k( 108) = ( 0.2686567 0.4653271 -0.0000000), wk = 0.0023310 k( 109) = ( 0.2636816 0.4567099 -0.0000000), wk = 0.0023310 k( 110) = ( 0.2587065 0.4480928 -0.0000000), wk = 0.0023310 k( 111) = ( 0.2537313 0.4394756 -0.0000000), wk = 0.0023310 k( 112) = ( 0.2487562 0.4308584 -0.0000000), wk = 0.0023310 k( 113) = ( 0.2437811 0.4222412 -0.0000000), wk = 0.0023310 k( 114) = ( 0.2388060 0.4136241 -0.0000000), wk = 0.0023310 k( 115) = ( 0.2338309 0.4050069 -0.0000000), wk = 0.0023310 k( 116) = ( 0.2288557 0.3963897 -0.0000000), wk = 0.0023310 k( 117) = ( 0.2238806 0.3877726 -0.0000000), wk = 0.0023310 k( 118) = ( 0.2189055 0.3791554 -0.0000000), wk = 0.0023310 k( 119) = ( 0.2139303 0.3705382 -0.0000000), wk = 0.0023310 k( 120) = ( 0.2089552 0.3619211 -0.0000000), wk = 0.0023310 k( 121) = ( 0.2039801 0.3533039 -0.0000000), wk = 0.0023310 k( 122) = ( 0.1990050 0.3446867 -0.0000000), wk = 0.0023310 k( 123) = ( 0.1940299 0.3360696 -0.0000000), wk = 0.0023310 k( 124) = ( 0.1890547 0.3274524 -0.0000000), wk = 0.0023310 k( 125) = ( 0.1840796 0.3188352 -0.0000000), wk = 0.0023310 k( 126) = ( 0.1791045 0.3102181 -0.0000000), wk = 0.0023310 k( 127) = ( 0.1741293 0.3016009 -0.0000000), wk = 0.0023310 k( 128) = ( 0.1691542 0.2929837 -0.0000000), wk = 0.0023310 k( 129) = ( 0.1641791 0.2843665 -0.0000000), wk = 0.0023310 k( 130) = ( 0.1592040 0.2757494 -0.0000000), wk = 0.0023310 k( 131) = ( 0.1542289 0.2671322 -0.0000000), wk = 0.0023310 k( 132) = ( 0.1492537 0.2585150 -0.0000000), wk = 0.0023310 k( 133) = ( 0.1442786 0.2498979 -0.0000000), wk = 0.0023310 k( 134) = ( 0.1393035 0.2412807 -0.0000000), wk = 0.0023310 k( 135) = ( 0.1343284 0.2326635 -0.0000000), wk = 0.0023310 k( 136) = ( 0.1293532 0.2240464 -0.0000000), wk = 0.0023310 k( 137) = ( 0.1243781 0.2154292 -0.0000000), wk = 0.0023310 k( 138) = ( 0.1194030 0.2068120 -0.0000000), wk = 0.0023310 k( 139) = ( 0.1144279 0.1981949 -0.0000000), wk = 0.0023310 k( 140) = ( 0.1094527 0.1895777 -0.0000000), wk = 0.0023310 k( 141) = ( 0.1044776 0.1809605 -0.0000000), wk = 0.0023310 k( 142) = ( 0.0995025 0.1723434 -0.0000000), wk = 0.0023310 k( 143) = ( 0.0945274 0.1637262 -0.0000000), wk = 0.0023310 k( 144) = ( 0.0895522 0.1551090 -0.0000000), wk = 0.0023310 k( 145) = ( 0.0845771 0.1464919 -0.0000000), wk = 0.0023310 k( 146) = ( 0.0796020 0.1378747 -0.0000000), wk = 0.0023310 k( 147) = ( 0.0746269 0.1292575 -0.0000000), wk = 0.0023310 k( 148) = ( 0.0696517 0.1206404 -0.0000000), wk = 0.0023310 k( 149) = ( 0.0646766 0.1120232 -0.0000000), wk = 0.0023310 k( 150) = ( 0.0597015 0.1034060 -0.0000000), wk = 0.0023310 k( 151) = ( 0.0547264 0.0947889 -0.0000000), wk = 0.0023310 k( 152) = ( 0.0497512 0.0861717 -0.0000000), wk = 0.0023310 k( 153) = ( 0.0447761 0.0775545 -0.0000000), wk = 0.0023310 k( 154) = ( 0.0398010 0.0689374 -0.0000000), wk = 0.0023310 k( 155) = ( 0.0348259 0.0603202 -0.0000000), wk = 0.0023310 k( 156) = ( 0.0298507 0.0517030 -0.0000000), wk = 0.0023310 k( 157) = ( 0.0248756 0.0430858 -0.0000000), wk = 0.0023310 k( 158) = ( 0.0199005 0.0344687 -0.0000000), wk = 0.0023310 k( 159) = ( 0.0149254 0.0258515 -0.0000000), wk = 0.0023310 k( 160) = ( 0.0099503 0.0172343 -0.0000000), wk = 0.0023310 k( 161) = ( 0.0049751 0.0086172 -0.0000000), wk = 0.0023310 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 164) = ( 0.0000000 0.0000000 0.0099416), wk = 0.0023310 k( 165) = ( 0.0000000 0.0000000 0.0198831), wk = 0.0023310 k( 166) = ( 0.0000000 0.0000000 0.0298247), wk = 0.0023310 k( 167) = ( 0.0000000 0.0000000 0.0397662), wk = 0.0023310 k( 168) = ( 0.0000000 0.0000000 0.0497078), wk = 0.0023310 k( 169) = ( 0.0000000 0.0000000 0.0596493), wk = 0.0023310 k( 170) = ( 0.0000000 0.0000000 0.0695909), wk = 0.0023310 k( 171) = ( 0.0000000 0.0000000 0.0795325), wk = 0.0023310 k( 172) = ( 0.0000000 0.0000000 0.0894740), wk = 0.0023310 k( 173) = ( 0.0000000 0.0000000 0.0994156), wk = 0.0023310 k( 174) = ( 0.0000000 0.0000000 0.1093571), wk = 0.0023310 k( 175) = ( 0.0000000 0.0000000 0.1192987), wk = 0.0023310 k( 176) = ( 0.0000000 0.0000000 0.1292402), wk = 0.0023310 k( 177) = ( 0.0000000 0.0000000 0.1391818), wk = 0.0023310 k( 178) = ( 0.0000000 0.0000000 0.1491234), wk = 0.0023310 k( 179) = ( 0.0000000 0.0000000 0.1590649), wk = 0.0023310 k( 180) = ( 0.0000000 0.0000000 0.1690065), wk = 0.0023310 k( 181) = ( 0.0000000 0.0000000 0.1789480), wk = 0.0023310 k( 182) = ( 0.0000000 0.0000000 0.1888896), wk = 0.0023310 k( 183) = ( 0.0000000 0.0000000 0.1988312), wk = 0.0023310 k( 184) = ( 0.0000000 0.0000000 0.2087727), wk = 0.0023310 k( 185) = ( 0.0000000 0.0000000 0.2187143), wk = 0.0023310 k( 186) = ( 0.0000000 0.0000000 0.2286558), wk = 0.0023310 k( 187) = ( 0.0000000 0.0000000 0.2385974), wk = 0.0023310 k( 188) = ( 0.0000000 0.0000000 0.2485389), wk = 0.0023310 k( 189) = ( 0.0000000 0.0000000 0.2584805), wk = 0.0023310 k( 190) = ( 0.0000000 0.0000000 0.2684221), wk = 0.0023310 k( 191) = ( 0.0000000 0.0000000 0.2783636), wk = 0.0023310 k( 192) = ( 0.0000000 0.0000000 0.2883052), wk = 0.0023310 k( 193) = ( 0.0000000 0.0000000 0.2982467), wk = 0.0023310 k( 194) = ( 0.0000000 0.0000000 0.3081883), wk = 0.0023310 k( 195) = ( 0.0000000 0.0000000 0.3181298), wk = 0.0023310 k( 196) = ( 0.0000000 0.0000000 0.3280714), wk = 0.0023310 k( 197) = ( 0.0000000 0.0000000 0.3380130), wk = 0.0023310 k( 198) = ( 0.0000000 0.0000000 0.3380130), wk = 0.0023310 k( 199) = ( 0.0086207 0.0049772 0.3380130), wk = 0.0023310 k( 200) = ( 0.0172414 0.0099543 0.3380130), wk = 0.0023310 k( 201) = ( 0.0258621 0.0149315 0.3380130), wk = 0.0023310 k( 202) = ( 0.0344828 0.0199086 0.3380130), wk = 0.0023310 k( 203) = ( 0.0431035 0.0248858 0.3380130), wk = 0.0023310 k( 204) = ( 0.0517241 0.0298629 0.3380130), wk = 0.0023310 k( 205) = ( 0.0603448 0.0348401 0.3380130), wk = 0.0023310 k( 206) = ( 0.0689655 0.0398173 0.3380130), wk = 0.0023310 k( 207) = ( 0.0775862 0.0447944 0.3380130), wk = 0.0023310 k( 208) = ( 0.0862069 0.0497716 0.3380130), wk = 0.0023310 k( 209) = ( 0.0948276 0.0547487 0.3380130), wk = 0.0023310 k( 210) = ( 0.1034483 0.0597259 0.3380130), wk = 0.0023310 k( 211) = ( 0.1120690 0.0647030 0.3380130), wk = 0.0023310 k( 212) = ( 0.1206897 0.0696802 0.3380130), wk = 0.0023310 k( 213) = ( 0.1293103 0.0746574 0.3380130), wk = 0.0023310 k( 214) = ( 0.1379310 0.0796345 0.3380130), wk = 0.0023310 k( 215) = ( 0.1465517 0.0846117 0.3380130), wk = 0.0023310 k( 216) = ( 0.1551724 0.0895888 0.3380130), wk = 0.0023310 k( 217) = ( 0.1637931 0.0945660 0.3380130), wk = 0.0023310 k( 218) = ( 0.1724138 0.0995431 0.3380130), wk = 0.0023310 k( 219) = ( 0.1810345 0.1045203 0.3380130), wk = 0.0023310 k( 220) = ( 0.1896552 0.1094975 0.3380130), wk = 0.0023310 k( 221) = ( 0.1982759 0.1144746 0.3380130), wk = 0.0023310 k( 222) = ( 0.2068966 0.1194518 0.3380130), wk = 0.0023310 k( 223) = ( 0.2155172 0.1244289 0.3380130), wk = 0.0023310 k( 224) = ( 0.2241379 0.1294061 0.3380130), wk = 0.0023310 k( 225) = ( 0.2327586 0.1343833 0.3380130), wk = 0.0023310 k( 226) = ( 0.2413793 0.1393604 0.3380130), wk = 0.0023310 k( 227) = ( 0.2500000 0.1443376 0.3380130), wk = 0.0023310 k( 228) = ( 0.2586207 0.1493147 0.3380130), wk = 0.0023310 k( 229) = ( 0.2672414 0.1542919 0.3380130), wk = 0.0023310 k( 230) = ( 0.2758621 0.1592690 0.3380130), wk = 0.0023310 k( 231) = ( 0.2844828 0.1642462 0.3380130), wk = 0.0023310 k( 232) = ( 0.2931034 0.1692234 0.3380130), wk = 0.0023310 k( 233) = ( 0.3017241 0.1742005 0.3380130), wk = 0.0023310 k( 234) = ( 0.3103448 0.1791777 0.3380130), wk = 0.0023310 k( 235) = ( 0.3189655 0.1841548 0.3380130), wk = 0.0023310 k( 236) = ( 0.3275862 0.1891320 0.3380130), wk = 0.0023310 k( 237) = ( 0.3362069 0.1941091 0.3380130), wk = 0.0023310 k( 238) = ( 0.3448276 0.1990863 0.3380130), wk = 0.0023310 k( 239) = ( 0.3534483 0.2040635 0.3380130), wk = 0.0023310 k( 240) = ( 0.3620690 0.2090406 0.3380130), wk = 0.0023310 k( 241) = ( 0.3706897 0.2140178 0.3380130), wk = 0.0023310 k( 242) = ( 0.3793103 0.2189949 0.3380130), wk = 0.0023310 k( 243) = ( 0.3879310 0.2239721 0.3380130), wk = 0.0023310 k( 244) = ( 0.3965517 0.2289492 0.3380130), wk = 0.0023310 k( 245) = ( 0.4051724 0.2339264 0.3380130), wk = 0.0023310 k( 246) = ( 0.4137931 0.2389036 0.3380130), wk = 0.0023310 k( 247) = ( 0.4224138 0.2438807 0.3380130), wk = 0.0023310 k( 248) = ( 0.4310345 0.2488579 0.3380130), wk = 0.0023310 k( 249) = ( 0.4396552 0.2538350 0.3380130), wk = 0.0023310 k( 250) = ( 0.4482759 0.2588122 0.3380130), wk = 0.0023310 k( 251) = ( 0.4568966 0.2637893 0.3380130), wk = 0.0023310 k( 252) = ( 0.4655172 0.2687665 0.3380130), wk = 0.0023310 k( 253) = ( 0.4741379 0.2737437 0.3380130), wk = 0.0023310 k( 254) = ( 0.4827586 0.2787208 0.3380130), wk = 0.0023310 k( 255) = ( 0.4913793 0.2836980 0.3380130), wk = 0.0023310 k( 256) = ( 0.5000000 0.2886751 0.3380130), wk = 0.0023310 k( 257) = ( 0.5000000 0.2886751 0.3380130), wk = 0.0023310 k( 258) = ( 0.4950980 0.2971656 0.3380130), wk = 0.0023310 k( 259) = ( 0.4901961 0.3056560 0.3380130), wk = 0.0023310 k( 260) = ( 0.4852941 0.3141465 0.3380130), wk = 0.0023310 k( 261) = ( 0.4803922 0.3226369 0.3380130), wk = 0.0023310 k( 262) = ( 0.4754902 0.3311274 0.3380130), wk = 0.0023310 k( 263) = ( 0.4705882 0.3396178 0.3380130), wk = 0.0023310 k( 264) = ( 0.4656863 0.3481082 0.3380130), wk = 0.0023310 k( 265) = ( 0.4607843 0.3565987 0.3380130), wk = 0.0023310 k( 266) = ( 0.4558823 0.3650891 0.3380130), wk = 0.0023310 k( 267) = ( 0.4509804 0.3735796 0.3380130), wk = 0.0023310 k( 268) = ( 0.4460784 0.3820700 0.3380130), wk = 0.0023310 k( 269) = ( 0.4411765 0.3905605 0.3380130), wk = 0.0023310 k( 270) = ( 0.4362745 0.3990509 0.3380130), wk = 0.0023310 k( 271) = ( 0.4313726 0.4075414 0.3380130), wk = 0.0023310 k( 272) = ( 0.4264706 0.4160318 0.3380130), wk = 0.0023310 k( 273) = ( 0.4215686 0.4245223 0.3380130), wk = 0.0023310 k( 274) = ( 0.4166667 0.4330127 0.3380130), wk = 0.0023310 k( 275) = ( 0.4117647 0.4415032 0.3380130), wk = 0.0023310 k( 276) = ( 0.4068627 0.4499936 0.3380130), wk = 0.0023310 k( 277) = ( 0.4019608 0.4584840 0.3380130), wk = 0.0023310 k( 278) = ( 0.3970588 0.4669745 0.3380130), wk = 0.0023310 k( 279) = ( 0.3921569 0.4754649 0.3380130), wk = 0.0023310 k( 280) = ( 0.3872549 0.4839554 0.3380130), wk = 0.0023310 k( 281) = ( 0.3823529 0.4924458 0.3380130), wk = 0.0023310 k( 282) = ( 0.3774510 0.5009363 0.3380130), wk = 0.0023310 k( 283) = ( 0.3725490 0.5094267 0.3380130), wk = 0.0023310 k( 284) = ( 0.3676471 0.5179172 0.3380130), wk = 0.0023310 k( 285) = ( 0.3627451 0.5264076 0.3380130), wk = 0.0023310 k( 286) = ( 0.3578431 0.5348981 0.3380130), wk = 0.0023310 k( 287) = ( 0.3529412 0.5433885 0.3380130), wk = 0.0023310 k( 288) = ( 0.3480392 0.5518789 0.3380130), wk = 0.0023310 k( 289) = ( 0.3431373 0.5603694 0.3380130), wk = 0.0023310 k( 290) = ( 0.3382353 0.5688598 0.3380130), wk = 0.0023310 k( 291) = ( 0.3333333 0.5773503 0.3380130), wk = 0.0023310 k( 292) = ( 0.3333333 0.5773503 0.3380130), wk = 0.0023310 k( 293) = ( 0.3283582 0.5687331 0.3380130), wk = 0.0023310 k( 294) = ( 0.3233831 0.5601159 0.3380130), wk = 0.0023310 k( 295) = ( 0.3184080 0.5514988 0.3380130), wk = 0.0023310 k( 296) = ( 0.3134328 0.5428816 0.3380130), wk = 0.0023310 k( 297) = ( 0.3084577 0.5342644 0.3380130), wk = 0.0023310 k( 298) = ( 0.3034826 0.5256473 0.3380130), wk = 0.0023310 k( 299) = ( 0.2985075 0.5170301 0.3380130), wk = 0.0023310 k( 300) = ( 0.2935323 0.5084129 0.3380130), wk = 0.0023310 k( 301) = ( 0.2885572 0.4997957 0.3380130), wk = 0.0023310 k( 302) = ( 0.2835821 0.4911786 0.3380130), wk = 0.0023310 k( 303) = ( 0.2786070 0.4825614 0.3380130), wk = 0.0023310 k( 304) = ( 0.2736318 0.4739442 0.3380130), wk = 0.0023310 k( 305) = ( 0.2686567 0.4653271 0.3380130), wk = 0.0023310 k( 306) = ( 0.2636816 0.4567099 0.3380130), wk = 0.0023310 k( 307) = ( 0.2587065 0.4480928 0.3380130), wk = 0.0023310 k( 308) = ( 0.2537313 0.4394756 0.3380130), wk = 0.0023310 k( 309) = ( 0.2487562 0.4308584 0.3380130), wk = 0.0023310 k( 310) = ( 0.2437811 0.4222412 0.3380130), wk = 0.0023310 k( 311) = ( 0.2388060 0.4136241 0.3380130), wk = 0.0023310 k( 312) = ( 0.2338309 0.4050069 0.3380130), wk = 0.0023310 k( 313) = ( 0.2288557 0.3963897 0.3380130), wk = 0.0023310 k( 314) = ( 0.2238806 0.3877726 0.3380130), wk = 0.0023310 k( 315) = ( 0.2189055 0.3791554 0.3380130), wk = 0.0023310 k( 316) = ( 0.2139303 0.3705382 0.3380130), wk = 0.0023310 k( 317) = ( 0.2089552 0.3619211 0.3380130), wk = 0.0023310 k( 318) = ( 0.2039801 0.3533039 0.3380130), wk = 0.0023310 k( 319) = ( 0.1990050 0.3446867 0.3380130), wk = 0.0023310 k( 320) = ( 0.1940299 0.3360696 0.3380130), wk = 0.0023310 k( 321) = ( 0.1890547 0.3274524 0.3380130), wk = 0.0023310 k( 322) = ( 0.1840796 0.3188352 0.3380130), wk = 0.0023310 k( 323) = ( 0.1791045 0.3102181 0.3380130), wk = 0.0023310 k( 324) = ( 0.1741293 0.3016009 0.3380130), wk = 0.0023310 k( 325) = ( 0.1691542 0.2929837 0.3380130), wk = 0.0023310 k( 326) = ( 0.1641791 0.2843665 0.3380130), wk = 0.0023310 k( 327) = ( 0.1592040 0.2757494 0.3380130), wk = 0.0023310 k( 328) = ( 0.1542289 0.2671322 0.3380130), wk = 0.0023310 k( 329) = ( 0.1492537 0.2585150 0.3380130), wk = 0.0023310 k( 330) = ( 0.1442786 0.2498979 0.3380130), wk = 0.0023310 k( 331) = ( 0.1393035 0.2412807 0.3380130), wk = 0.0023310 k( 332) = ( 0.1343284 0.2326635 0.3380130), wk = 0.0023310 k( 333) = ( 0.1293532 0.2240464 0.3380130), wk = 0.0023310 k( 334) = ( 0.1243781 0.2154292 0.3380130), wk = 0.0023310 k( 335) = ( 0.1194030 0.2068120 0.3380130), wk = 0.0023310 k( 336) = ( 0.1144279 0.1981949 0.3380130), wk = 0.0023310 k( 337) = ( 0.1094527 0.1895777 0.3380130), wk = 0.0023310 k( 338) = ( 0.1044776 0.1809605 0.3380130), wk = 0.0023310 k( 339) = ( 0.0995025 0.1723434 0.3380130), wk = 0.0023310 k( 340) = ( 0.0945274 0.1637262 0.3380130), wk = 0.0023310 k( 341) = ( 0.0895522 0.1551090 0.3380130), wk = 0.0023310 k( 342) = ( 0.0845771 0.1464919 0.3380130), wk = 0.0023310 k( 343) = ( 0.0796020 0.1378747 0.3380130), wk = 0.0023310 k( 344) = ( 0.0746269 0.1292575 0.3380130), wk = 0.0023310 k( 345) = ( 0.0696517 0.1206404 0.3380130), wk = 0.0023310 k( 346) = ( 0.0646766 0.1120232 0.3380130), wk = 0.0023310 k( 347) = ( 0.0597015 0.1034060 0.3380130), wk = 0.0023310 k( 348) = ( 0.0547264 0.0947889 0.3380130), wk = 0.0023310 k( 349) = ( 0.0497512 0.0861717 0.3380130), wk = 0.0023310 k( 350) = ( 0.0447761 0.0775545 0.3380130), wk = 0.0023310 k( 351) = ( 0.0398010 0.0689374 0.3380130), wk = 0.0023310 k( 352) = ( 0.0348259 0.0603202 0.3380130), wk = 0.0023310 k( 353) = ( 0.0298507 0.0517030 0.3380130), wk = 0.0023310 k( 354) = ( 0.0248756 0.0430858 0.3380130), wk = 0.0023310 k( 355) = ( 0.0199005 0.0344687 0.3380130), wk = 0.0023310 k( 356) = ( 0.0149254 0.0258515 0.3380130), wk = 0.0023310 k( 357) = ( 0.0099503 0.0172343 0.3380130), wk = 0.0023310 k( 358) = ( 0.0049751 0.0086172 0.3380130), wk = 0.0023310 k( 359) = ( 0.0000000 0.0000000 0.3380130), wk = 0.0023310 k( 360) = ( 0.5000000 0.2886751 0.3380130), wk = 0.0023310 k( 361) = ( 0.5000000 0.2886751 0.3280714), wk = 0.0023310 k( 362) = ( 0.5000000 0.2886751 0.3181298), wk = 0.0023310 k( 363) = ( 0.5000000 0.2886751 0.3081883), wk = 0.0023310 k( 364) = ( 0.5000000 0.2886751 0.2982467), wk = 0.0023310 k( 365) = ( 0.5000000 0.2886751 0.2883052), wk = 0.0023310 k( 366) = ( 0.5000000 0.2886751 0.2783636), wk = 0.0023310 k( 367) = ( 0.5000000 0.2886751 0.2684221), wk = 0.0023310 k( 368) = ( 0.5000000 0.2886751 0.2584805), wk = 0.0023310 k( 369) = ( 0.5000000 0.2886751 0.2485389), wk = 0.0023310 k( 370) = ( 0.5000000 0.2886751 0.2385974), wk = 0.0023310 k( 371) = ( 0.5000000 0.2886751 0.2286558), wk = 0.0023310 k( 372) = ( 0.5000000 0.2886751 0.2187143), wk = 0.0023310 k( 373) = ( 0.5000000 0.2886751 0.2087727), wk = 0.0023310 k( 374) = ( 0.5000000 0.2886751 0.1988312), wk = 0.0023310 k( 375) = ( 0.5000000 0.2886751 0.1888896), wk = 0.0023310 k( 376) = ( 0.5000000 0.2886751 0.1789480), wk = 0.0023310 k( 377) = ( 0.5000000 0.2886751 0.1690065), wk = 0.0023310 k( 378) = ( 0.5000000 0.2886751 0.1590649), wk = 0.0023310 k( 379) = ( 0.5000000 0.2886751 0.1491234), wk = 0.0023310 k( 380) = ( 0.5000000 0.2886751 0.1391818), wk = 0.0023310 k( 381) = ( 0.5000000 0.2886751 0.1292402), wk = 0.0023310 k( 382) = ( 0.5000000 0.2886751 0.1192987), wk = 0.0023310 k( 383) = ( 0.5000000 0.2886751 0.1093571), wk = 0.0023310 k( 384) = ( 0.5000000 0.2886751 0.0994156), wk = 0.0023310 k( 385) = ( 0.5000000 0.2886751 0.0894740), wk = 0.0023310 k( 386) = ( 0.5000000 0.2886751 0.0795325), wk = 0.0023310 k( 387) = ( 0.5000000 0.2886751 0.0695909), wk = 0.0023310 k( 388) = ( 0.5000000 0.2886751 0.0596493), wk = 0.0023310 k( 389) = ( 0.5000000 0.2886751 0.0497078), wk = 0.0023310 k( 390) = ( 0.5000000 0.2886751 0.0397662), wk = 0.0023310 k( 391) = ( 0.5000000 0.2886751 0.0298247), wk = 0.0023310 k( 392) = ( 0.5000000 0.2886751 0.0198831), wk = 0.0023310 k( 393) = ( 0.5000000 0.2886751 0.0099416), wk = 0.0023310 k( 394) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023310 k( 395) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023310 k( 396) = ( 0.3333333 0.5773503 0.0099416), wk = 0.0023310 k( 397) = ( 0.3333333 0.5773503 0.0198831), wk = 0.0023310 k( 398) = ( 0.3333333 0.5773503 0.0298247), wk = 0.0023310 k( 399) = ( 0.3333333 0.5773503 0.0397662), wk = 0.0023310 k( 400) = ( 0.3333333 0.5773503 0.0497078), wk = 0.0023310 k( 401) = ( 0.3333333 0.5773503 0.0596493), wk = 0.0023310 k( 402) = ( 0.3333333 0.5773503 0.0695909), wk = 0.0023310 k( 403) = ( 0.3333333 0.5773503 0.0795325), wk = 0.0023310 k( 404) = ( 0.3333333 0.5773503 0.0894740), wk = 0.0023310 k( 405) = ( 0.3333333 0.5773503 0.0994156), wk = 0.0023310 k( 406) = ( 0.3333333 0.5773503 0.1093571), wk = 0.0023310 k( 407) = ( 0.3333333 0.5773503 0.1192987), wk = 0.0023310 k( 408) = ( 0.3333333 0.5773503 0.1292402), wk = 0.0023310 k( 409) = ( 0.3333333 0.5773503 0.1391818), wk = 0.0023310 k( 410) = ( 0.3333333 0.5773503 0.1491234), wk = 0.0023310 k( 411) = ( 0.3333333 0.5773503 0.1590649), wk = 0.0023310 k( 412) = ( 0.3333333 0.5773503 0.1690065), wk = 0.0023310 k( 413) = ( 0.3333333 0.5773503 0.1789480), wk = 0.0023310 k( 414) = ( 0.3333333 0.5773503 0.1888896), wk = 0.0023310 k( 415) = ( 0.3333333 0.5773503 0.1988312), wk = 0.0023310 k( 416) = ( 0.3333333 0.5773503 0.2087727), wk = 0.0023310 k( 417) = ( 0.3333333 0.5773503 0.2187143), wk = 0.0023310 k( 418) = ( 0.3333333 0.5773503 0.2286558), wk = 0.0023310 k( 419) = ( 0.3333333 0.5773503 0.2385974), wk = 0.0023310 k( 420) = ( 0.3333333 0.5773503 0.2485389), wk = 0.0023310 k( 421) = ( 0.3333333 0.5773503 0.2584805), wk = 0.0023310 k( 422) = ( 0.3333333 0.5773503 0.2684221), wk = 0.0023310 k( 423) = ( 0.3333333 0.5773503 0.2783636), wk = 0.0023310 k( 424) = ( 0.3333333 0.5773503 0.2883052), wk = 0.0023310 k( 425) = ( 0.3333333 0.5773503 0.2982467), wk = 0.0023310 k( 426) = ( 0.3333333 0.5773503 0.3081883), wk = 0.0023310 k( 427) = ( 0.3333333 0.5773503 0.3181298), wk = 0.0023310 k( 428) = ( 0.3333333 0.5773503 0.3280714), wk = 0.0023310 k( 429) = ( 0.3333333 0.5773503 0.3380130), wk = 0.0023310 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 2) = ( 0.0086207 -0.0000000 0.0000000), wk = 0.0023310 k( 3) = ( 0.0172414 -0.0000000 0.0000000), wk = 0.0023310 k( 4) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0023310 k( 5) = ( 0.0344828 -0.0000000 0.0000000), wk = 0.0023310 k( 6) = ( 0.0431035 -0.0000000 -0.0000000), wk = 0.0023310 k( 7) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0023310 k( 8) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0023310 k( 9) = ( 0.0689655 -0.0000000 0.0000000), wk = 0.0023310 k( 10) = ( 0.0775862 0.0000000 0.0000000), wk = 0.0023310 k( 11) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0023310 k( 12) = ( 0.0948276 -0.0000000 0.0000000), wk = 0.0023310 k( 13) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0023310 k( 14) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0023310 k( 15) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0023310 k( 16) = ( 0.1293103 -0.0000000 0.0000000), wk = 0.0023310 k( 17) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0023310 k( 18) = ( 0.1465517 -0.0000000 -0.0000000), wk = 0.0023310 k( 19) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0023310 k( 20) = ( 0.1637931 0.0000000 0.0000000), wk = 0.0023310 k( 21) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0023310 k( 22) = ( 0.1810345 -0.0000000 -0.0000000), wk = 0.0023310 k( 23) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0023310 k( 24) = ( 0.1982759 -0.0000000 0.0000000), wk = 0.0023310 k( 25) = ( 0.2068966 -0.0000000 0.0000000), wk = 0.0023310 k( 26) = ( 0.2155172 -0.0000000 -0.0000000), wk = 0.0023310 k( 27) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0023310 k( 28) = ( 0.2327586 -0.0000000 -0.0000000), wk = 0.0023310 k( 29) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0023310 k( 30) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023310 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0023310 k( 32) = ( 0.2672414 -0.0000000 -0.0000000), wk = 0.0023310 k( 33) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0023310 k( 34) = ( 0.2844828 -0.0000000 -0.0000000), wk = 0.0023310 k( 35) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0023310 k( 36) = ( 0.3017241 0.0000000 0.0000000), wk = 0.0023310 k( 37) = ( 0.3103448 -0.0000000 0.0000000), wk = 0.0023310 k( 38) = ( 0.3189655 -0.0000000 -0.0000000), wk = 0.0023310 k( 39) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0023310 k( 40) = ( 0.3362069 -0.0000000 -0.0000000), wk = 0.0023310 k( 41) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0023310 k( 42) = ( 0.3534483 -0.0000000 -0.0000000), wk = 0.0023310 k( 43) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0023310 k( 44) = ( 0.3706897 -0.0000000 0.0000000), wk = 0.0023310 k( 45) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0023310 k( 46) = ( 0.3879310 -0.0000000 -0.0000000), wk = 0.0023310 k( 47) = ( 0.3965517 -0.0000000 0.0000000), wk = 0.0023310 k( 48) = ( 0.4051724 0.0000000 -0.0000000), wk = 0.0023310 k( 49) = ( 0.4137931 -0.0000000 0.0000000), wk = 0.0023310 k( 50) = ( 0.4224138 -0.0000000 -0.0000000), wk = 0.0023310 k( 51) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0023310 k( 52) = ( 0.4396552 -0.0000000 0.0000000), wk = 0.0023310 k( 53) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0023310 k( 54) = ( 0.4568966 -0.0000000 0.0000000), wk = 0.0023310 k( 55) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0023310 k( 56) = ( 0.4741379 -0.0000000 -0.0000000), wk = 0.0023310 k( 57) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0023310 k( 58) = ( 0.4913793 -0.0000000 0.0000000), wk = 0.0023310 k( 59) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023310 k( 60) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023310 k( 61) = ( 0.4950980 0.0098039 -0.0000000), wk = 0.0023310 k( 62) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0023310 k( 63) = ( 0.4852941 0.0294118 0.0000000), wk = 0.0023310 k( 64) = ( 0.4803922 0.0392157 0.0000000), wk = 0.0023310 k( 65) = ( 0.4754902 0.0490196 -0.0000000), wk = 0.0023310 k( 66) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0023310 k( 67) = ( 0.4656863 0.0686274 -0.0000000), wk = 0.0023310 k( 68) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0023310 k( 69) = ( 0.4558823 0.0882353 0.0000000), wk = 0.0023310 k( 70) = ( 0.4509804 0.0980392 0.0000000), wk = 0.0023310 k( 71) = ( 0.4460784 0.1078431 -0.0000000), wk = 0.0023310 k( 72) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0023310 k( 73) = ( 0.4362745 0.1274510 0.0000000), wk = 0.0023310 k( 74) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0023310 k( 75) = ( 0.4264706 0.1470588 -0.0000000), wk = 0.0023310 k( 76) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0023310 k( 77) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023310 k( 78) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0023310 k( 79) = ( 0.4068627 0.1862745 -0.0000000), wk = 0.0023310 k( 80) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0023310 k( 81) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0023310 k( 82) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0023310 k( 83) = ( 0.3872549 0.2254902 0.0000000), wk = 0.0023310 k( 84) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0023310 k( 85) = ( 0.3774510 0.2450980 0.0000000), wk = 0.0023310 k( 86) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0023310 k( 87) = ( 0.3676471 0.2647059 0.0000000), wk = 0.0023310 k( 88) = ( 0.3627451 0.2745098 -0.0000000), wk = 0.0023310 k( 89) = ( 0.3578431 0.2843137 0.0000000), wk = 0.0023310 k( 90) = ( 0.3529412 0.2941176 0.0000000), wk = 0.0023310 k( 91) = ( 0.3480392 0.3039216 -0.0000000), wk = 0.0023310 k( 92) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0023310 k( 93) = ( 0.3382353 0.3235294 -0.0000000), wk = 0.0023310 k( 94) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023310 k( 95) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023310 k( 96) = ( 0.3283582 0.3283582 -0.0000000), wk = 0.0023310 k( 97) = ( 0.3233831 0.3233831 -0.0000000), wk = 0.0023310 k( 98) = ( 0.3184080 0.3184080 -0.0000000), wk = 0.0023310 k( 99) = ( 0.3134328 0.3134328 -0.0000000), wk = 0.0023310 k( 100) = ( 0.3084577 0.3084577 0.0000000), wk = 0.0023310 k( 101) = ( 0.3034826 0.3034826 0.0000000), wk = 0.0023310 k( 102) = ( 0.2985075 0.2985075 0.0000000), wk = 0.0023310 k( 103) = ( 0.2935323 0.2935323 -0.0000000), wk = 0.0023310 k( 104) = ( 0.2885572 0.2885572 -0.0000000), wk = 0.0023310 k( 105) = ( 0.2835821 0.2835821 0.0000000), wk = 0.0023310 k( 106) = ( 0.2786070 0.2786070 -0.0000000), wk = 0.0023310 k( 107) = ( 0.2736318 0.2736318 -0.0000000), wk = 0.0023310 k( 108) = ( 0.2686567 0.2686567 -0.0000000), wk = 0.0023310 k( 109) = ( 0.2636816 0.2636816 -0.0000000), wk = 0.0023310 k( 110) = ( 0.2587065 0.2587065 -0.0000000), wk = 0.0023310 k( 111) = ( 0.2537313 0.2537313 0.0000000), wk = 0.0023310 k( 112) = ( 0.2487562 0.2487562 -0.0000000), wk = 0.0023310 k( 113) = ( 0.2437811 0.2437811 -0.0000000), wk = 0.0023310 k( 114) = ( 0.2388060 0.2388060 -0.0000000), wk = 0.0023310 k( 115) = ( 0.2338309 0.2338308 -0.0000000), wk = 0.0023310 k( 116) = ( 0.2288557 0.2288557 0.0000000), wk = 0.0023310 k( 117) = ( 0.2238806 0.2238806 -0.0000000), wk = 0.0023310 k( 118) = ( 0.2189055 0.2189055 -0.0000000), wk = 0.0023310 k( 119) = ( 0.2139303 0.2139303 0.0000000), wk = 0.0023310 k( 120) = ( 0.2089552 0.2089552 -0.0000000), wk = 0.0023310 k( 121) = ( 0.2039801 0.2039801 -0.0000000), wk = 0.0023310 k( 122) = ( 0.1990050 0.1990050 -0.0000000), wk = 0.0023310 k( 123) = ( 0.1940299 0.1940298 -0.0000000), wk = 0.0023310 k( 124) = ( 0.1890547 0.1890547 0.0000000), wk = 0.0023310 k( 125) = ( 0.1840796 0.1840796 -0.0000000), wk = 0.0023310 k( 126) = ( 0.1791045 0.1791045 0.0000000), wk = 0.0023310 k( 127) = ( 0.1741293 0.1741293 -0.0000000), wk = 0.0023310 k( 128) = ( 0.1691542 0.1691542 -0.0000000), wk = 0.0023310 k( 129) = ( 0.1641791 0.1641791 -0.0000000), wk = 0.0023310 k( 130) = ( 0.1592040 0.1592040 -0.0000000), wk = 0.0023310 k( 131) = ( 0.1542289 0.1542289 -0.0000000), wk = 0.0023310 k( 132) = ( 0.1492537 0.1492537 0.0000000), wk = 0.0023310 k( 133) = ( 0.1442786 0.1442786 0.0000000), wk = 0.0023310 k( 134) = ( 0.1393035 0.1393035 -0.0000000), wk = 0.0023310 k( 135) = ( 0.1343284 0.1343284 -0.0000000), wk = 0.0023310 k( 136) = ( 0.1293532 0.1293532 0.0000000), wk = 0.0023310 k( 137) = ( 0.1243781 0.1243781 -0.0000000), wk = 0.0023310 k( 138) = ( 0.1194030 0.1194030 -0.0000000), wk = 0.0023310 k( 139) = ( 0.1144279 0.1144279 0.0000000), wk = 0.0023310 k( 140) = ( 0.1094527 0.1094527 -0.0000000), wk = 0.0023310 k( 141) = ( 0.1044776 0.1044776 -0.0000000), wk = 0.0023310 k( 142) = ( 0.0995025 0.0995025 -0.0000000), wk = 0.0023310 k( 143) = ( 0.0945274 0.0945274 0.0000000), wk = 0.0023310 k( 144) = ( 0.0895522 0.0895522 0.0000000), wk = 0.0023310 k( 145) = ( 0.0845771 0.0845771 -0.0000000), wk = 0.0023310 k( 146) = ( 0.0796020 0.0796020 -0.0000000), wk = 0.0023310 k( 147) = ( 0.0746269 0.0746269 -0.0000000), wk = 0.0023310 k( 148) = ( 0.0696517 0.0696517 -0.0000000), wk = 0.0023310 k( 149) = ( 0.0646766 0.0646766 -0.0000000), wk = 0.0023310 k( 150) = ( 0.0597015 0.0597015 0.0000000), wk = 0.0023310 k( 151) = ( 0.0547264 0.0547264 -0.0000000), wk = 0.0023310 k( 152) = ( 0.0497512 0.0497512 -0.0000000), wk = 0.0023310 k( 153) = ( 0.0447761 0.0447761 0.0000000), wk = 0.0023310 k( 154) = ( 0.0398010 0.0398010 -0.0000000), wk = 0.0023310 k( 155) = ( 0.0348259 0.0348259 -0.0000000), wk = 0.0023310 k( 156) = ( 0.0298507 0.0298507 0.0000000), wk = 0.0023310 k( 157) = ( 0.0248756 0.0248756 -0.0000000), wk = 0.0023310 k( 158) = ( 0.0199005 0.0199005 -0.0000000), wk = 0.0023310 k( 159) = ( 0.0149254 0.0149254 0.0000000), wk = 0.0023310 k( 160) = ( 0.0099503 0.0099502 -0.0000000), wk = 0.0023310 k( 161) = ( 0.0049751 0.0049751 -0.0000000), wk = 0.0023310 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 164) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0023310 k( 165) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0023310 k( 166) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0023310 k( 167) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0023310 k( 168) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0023310 k( 169) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0023310 k( 170) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0023310 k( 171) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0023310 k( 172) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0023310 k( 173) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0023310 k( 174) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0023310 k( 175) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0023310 k( 176) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0023310 k( 177) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0023310 k( 178) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0023310 k( 179) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0023310 k( 180) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023310 k( 181) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0023310 k( 182) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0023310 k( 183) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0023310 k( 184) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0023310 k( 185) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0023310 k( 186) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0023310 k( 187) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0023310 k( 188) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0023310 k( 189) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0023310 k( 190) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0023310 k( 191) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0023310 k( 192) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0023310 k( 193) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0023310 k( 194) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0023310 k( 195) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0023310 k( 196) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0023310 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023310 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023310 k( 199) = ( 0.0086207 -0.0000000 0.5000000), wk = 0.0023310 k( 200) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0023310 k( 201) = ( 0.0258621 -0.0000000 0.5000000), wk = 0.0023310 k( 202) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0023310 k( 203) = ( 0.0431035 -0.0000000 0.5000000), wk = 0.0023310 k( 204) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0023310 k( 205) = ( 0.0603448 -0.0000000 0.5000000), wk = 0.0023310 k( 206) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0023310 k( 207) = ( 0.0775862 0.0000000 0.5000000), wk = 0.0023310 k( 208) = ( 0.0862069 -0.0000000 0.5000000), wk = 0.0023310 k( 209) = ( 0.0948276 -0.0000000 0.5000000), wk = 0.0023310 k( 210) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0023310 k( 211) = ( 0.1120690 -0.0000000 0.5000000), wk = 0.0023310 k( 212) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0023310 k( 213) = ( 0.1293103 -0.0000000 0.5000000), wk = 0.0023310 k( 214) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0023310 k( 215) = ( 0.1465517 -0.0000000 0.5000000), wk = 0.0023310 k( 216) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0023310 k( 217) = ( 0.1637931 0.0000000 0.5000000), wk = 0.0023310 k( 218) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0023310 k( 219) = ( 0.1810345 -0.0000000 0.5000000), wk = 0.0023310 k( 220) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0023310 k( 221) = ( 0.1982759 -0.0000000 0.5000000), wk = 0.0023310 k( 222) = ( 0.2068966 -0.0000000 0.5000000), wk = 0.0023310 k( 223) = ( 0.2155172 -0.0000000 0.5000000), wk = 0.0023310 k( 224) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0023310 k( 225) = ( 0.2327586 -0.0000000 0.5000000), wk = 0.0023310 k( 226) = ( 0.2413793 -0.0000000 0.5000000), wk = 0.0023310 k( 227) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0023310 k( 228) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0023310 k( 229) = ( 0.2672414 -0.0000000 0.5000000), wk = 0.0023310 k( 230) = ( 0.2758621 -0.0000000 0.5000000), wk = 0.0023310 k( 231) = ( 0.2844828 -0.0000000 0.5000000), wk = 0.0023310 k( 232) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0023310 k( 233) = ( 0.3017241 0.0000000 0.5000000), wk = 0.0023310 k( 234) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0023310 k( 235) = ( 0.3189655 -0.0000000 0.5000000), wk = 0.0023310 k( 236) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0023310 k( 237) = ( 0.3362069 -0.0000000 0.5000000), wk = 0.0023310 k( 238) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0023310 k( 239) = ( 0.3534483 -0.0000000 0.5000000), wk = 0.0023310 k( 240) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0023310 k( 241) = ( 0.3706897 -0.0000000 0.5000000), wk = 0.0023310 k( 242) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0023310 k( 243) = ( 0.3879310 -0.0000000 0.5000000), wk = 0.0023310 k( 244) = ( 0.3965517 -0.0000000 0.5000000), wk = 0.0023310 k( 245) = ( 0.4051724 0.0000000 0.5000000), wk = 0.0023310 k( 246) = ( 0.4137931 -0.0000000 0.5000000), wk = 0.0023310 k( 247) = ( 0.4224138 -0.0000000 0.5000000), wk = 0.0023310 k( 248) = ( 0.4310345 -0.0000000 0.5000000), wk = 0.0023310 k( 249) = ( 0.4396552 -0.0000000 0.5000000), wk = 0.0023310 k( 250) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0023310 k( 251) = ( 0.4568966 -0.0000000 0.5000000), wk = 0.0023310 k( 252) = ( 0.4655172 -0.0000000 0.5000000), wk = 0.0023310 k( 253) = ( 0.4741379 -0.0000000 0.5000000), wk = 0.0023310 k( 254) = ( 0.4827586 -0.0000000 0.5000000), wk = 0.0023310 k( 255) = ( 0.4913793 -0.0000000 0.5000000), wk = 0.0023310 k( 256) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023310 k( 257) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023310 k( 258) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0023310 k( 259) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0023310 k( 260) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0023310 k( 261) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0023310 k( 262) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0023310 k( 263) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0023310 k( 264) = ( 0.4656863 0.0686274 0.5000000), wk = 0.0023310 k( 265) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0023310 k( 266) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0023310 k( 267) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0023310 k( 268) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0023310 k( 269) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0023310 k( 270) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0023310 k( 271) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0023310 k( 272) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0023310 k( 273) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0023310 k( 274) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023310 k( 275) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0023310 k( 276) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0023310 k( 277) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0023310 k( 278) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0023310 k( 279) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0023310 k( 280) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0023310 k( 281) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0023310 k( 282) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0023310 k( 283) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0023310 k( 284) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0023310 k( 285) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0023310 k( 286) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0023310 k( 287) = ( 0.3529412 0.2941176 0.5000000), wk = 0.0023310 k( 288) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0023310 k( 289) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0023310 k( 290) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0023310 k( 291) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023310 k( 292) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023310 k( 293) = ( 0.3283582 0.3283582 0.5000000), wk = 0.0023310 k( 294) = ( 0.3233831 0.3233831 0.5000000), wk = 0.0023310 k( 295) = ( 0.3184080 0.3184080 0.5000000), wk = 0.0023310 k( 296) = ( 0.3134328 0.3134328 0.5000000), wk = 0.0023310 k( 297) = ( 0.3084577 0.3084577 0.5000000), wk = 0.0023310 k( 298) = ( 0.3034826 0.3034826 0.5000000), wk = 0.0023310 k( 299) = ( 0.2985075 0.2985075 0.5000000), wk = 0.0023310 k( 300) = ( 0.2935323 0.2935323 0.5000000), wk = 0.0023310 k( 301) = ( 0.2885572 0.2885572 0.5000000), wk = 0.0023310 k( 302) = ( 0.2835821 0.2835821 0.5000000), wk = 0.0023310 k( 303) = ( 0.2786070 0.2786070 0.5000000), wk = 0.0023310 k( 304) = ( 0.2736318 0.2736318 0.5000000), wk = 0.0023310 k( 305) = ( 0.2686567 0.2686567 0.5000000), wk = 0.0023310 k( 306) = ( 0.2636816 0.2636816 0.5000000), wk = 0.0023310 k( 307) = ( 0.2587065 0.2587065 0.5000000), wk = 0.0023310 k( 308) = ( 0.2537313 0.2537313 0.5000000), wk = 0.0023310 k( 309) = ( 0.2487562 0.2487562 0.5000000), wk = 0.0023310 k( 310) = ( 0.2437811 0.2437811 0.5000000), wk = 0.0023310 k( 311) = ( 0.2388060 0.2388060 0.5000000), wk = 0.0023310 k( 312) = ( 0.2338309 0.2338308 0.5000000), wk = 0.0023310 k( 313) = ( 0.2288557 0.2288557 0.5000000), wk = 0.0023310 k( 314) = ( 0.2238806 0.2238806 0.5000000), wk = 0.0023310 k( 315) = ( 0.2189055 0.2189055 0.5000000), wk = 0.0023310 k( 316) = ( 0.2139303 0.2139303 0.5000000), wk = 0.0023310 k( 317) = ( 0.2089552 0.2089552 0.5000000), wk = 0.0023310 k( 318) = ( 0.2039801 0.2039801 0.5000000), wk = 0.0023310 k( 319) = ( 0.1990050 0.1990050 0.5000000), wk = 0.0023310 k( 320) = ( 0.1940299 0.1940298 0.5000000), wk = 0.0023310 k( 321) = ( 0.1890547 0.1890547 0.5000000), wk = 0.0023310 k( 322) = ( 0.1840796 0.1840796 0.5000000), wk = 0.0023310 k( 323) = ( 0.1791045 0.1791045 0.5000000), wk = 0.0023310 k( 324) = ( 0.1741293 0.1741293 0.5000000), wk = 0.0023310 k( 325) = ( 0.1691542 0.1691542 0.5000000), wk = 0.0023310 k( 326) = ( 0.1641791 0.1641791 0.5000000), wk = 0.0023310 k( 327) = ( 0.1592040 0.1592040 0.5000000), wk = 0.0023310 k( 328) = ( 0.1542289 0.1542289 0.5000000), wk = 0.0023310 k( 329) = ( 0.1492537 0.1492537 0.5000000), wk = 0.0023310 k( 330) = ( 0.1442786 0.1442786 0.5000000), wk = 0.0023310 k( 331) = ( 0.1393035 0.1393035 0.5000000), wk = 0.0023310 k( 332) = ( 0.1343284 0.1343284 0.5000000), wk = 0.0023310 k( 333) = ( 0.1293532 0.1293532 0.5000000), wk = 0.0023310 k( 334) = ( 0.1243781 0.1243781 0.5000000), wk = 0.0023310 k( 335) = ( 0.1194030 0.1194030 0.5000000), wk = 0.0023310 k( 336) = ( 0.1144279 0.1144279 0.5000000), wk = 0.0023310 k( 337) = ( 0.1094527 0.1094527 0.5000000), wk = 0.0023310 k( 338) = ( 0.1044776 0.1044776 0.5000000), wk = 0.0023310 k( 339) = ( 0.0995025 0.0995025 0.5000000), wk = 0.0023310 k( 340) = ( 0.0945274 0.0945274 0.5000000), wk = 0.0023310 k( 341) = ( 0.0895522 0.0895522 0.5000000), wk = 0.0023310 k( 342) = ( 0.0845771 0.0845771 0.5000000), wk = 0.0023310 k( 343) = ( 0.0796020 0.0796020 0.5000000), wk = 0.0023310 k( 344) = ( 0.0746269 0.0746269 0.5000000), wk = 0.0023310 k( 345) = ( 0.0696517 0.0696517 0.5000000), wk = 0.0023310 k( 346) = ( 0.0646766 0.0646766 0.5000000), wk = 0.0023310 k( 347) = ( 0.0597015 0.0597015 0.5000000), wk = 0.0023310 k( 348) = ( 0.0547264 0.0547264 0.5000000), wk = 0.0023310 k( 349) = ( 0.0497512 0.0497512 0.5000000), wk = 0.0023310 k( 350) = ( 0.0447761 0.0447761 0.5000000), wk = 0.0023310 k( 351) = ( 0.0398010 0.0398010 0.5000000), wk = 0.0023310 k( 352) = ( 0.0348259 0.0348259 0.5000000), wk = 0.0023310 k( 353) = ( 0.0298507 0.0298507 0.5000000), wk = 0.0023310 k( 354) = ( 0.0248756 0.0248756 0.5000000), wk = 0.0023310 k( 355) = ( 0.0199005 0.0199005 0.5000000), wk = 0.0023310 k( 356) = ( 0.0149254 0.0149254 0.5000000), wk = 0.0023310 k( 357) = ( 0.0099503 0.0099502 0.5000000), wk = 0.0023310 k( 358) = ( 0.0049751 0.0049751 0.5000000), wk = 0.0023310 k( 359) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023310 k( 360) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023310 k( 361) = ( 0.5000000 -0.0000000 0.4852941), wk = 0.0023310 k( 362) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0023310 k( 363) = ( 0.5000000 -0.0000000 0.4558823), wk = 0.0023310 k( 364) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0023310 k( 365) = ( 0.5000000 -0.0000000 0.4264706), wk = 0.0023310 k( 366) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0023310 k( 367) = ( 0.5000000 -0.0000000 0.3970588), wk = 0.0023310 k( 368) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0023310 k( 369) = ( 0.5000000 -0.0000000 0.3676471), wk = 0.0023310 k( 370) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0023310 k( 371) = ( 0.5000000 -0.0000000 0.3382353), wk = 0.0023310 k( 372) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0023310 k( 373) = ( 0.5000000 -0.0000000 0.3088235), wk = 0.0023310 k( 374) = ( 0.5000000 -0.0000000 0.2941177), wk = 0.0023310 k( 375) = ( 0.5000000 -0.0000000 0.2794118), wk = 0.0023310 k( 376) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0023310 k( 377) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0023310 k( 378) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0023310 k( 379) = ( 0.5000000 -0.0000000 0.2205882), wk = 0.0023310 k( 380) = ( 0.5000000 -0.0000000 0.2058823), wk = 0.0023310 k( 381) = ( 0.5000000 -0.0000000 0.1911765), wk = 0.0023310 k( 382) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0023310 k( 383) = ( 0.5000000 -0.0000000 0.1617647), wk = 0.0023310 k( 384) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0023310 k( 385) = ( 0.5000000 -0.0000000 0.1323529), wk = 0.0023310 k( 386) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0023310 k( 387) = ( 0.5000000 -0.0000000 0.1029412), wk = 0.0023310 k( 388) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0023310 k( 389) = ( 0.5000000 -0.0000000 0.0735294), wk = 0.0023310 k( 390) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0023310 k( 391) = ( 0.5000000 -0.0000000 0.0441177), wk = 0.0023310 k( 392) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0023310 k( 393) = ( 0.5000000 -0.0000000 0.0147059), wk = 0.0023310 k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023310 k( 395) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023310 k( 396) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0023310 k( 397) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0023310 k( 398) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0023310 k( 399) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0023310 k( 400) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0023310 k( 401) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0023310 k( 402) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0023310 k( 403) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0023310 k( 404) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0023310 k( 405) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0023310 k( 406) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0023310 k( 407) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0023310 k( 408) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0023310 k( 409) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0023310 k( 410) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0023310 k( 411) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0023310 k( 412) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0023310 k( 413) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0023310 k( 414) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0023310 k( 415) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0023310 k( 416) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0023310 k( 417) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0023310 k( 418) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0023310 k( 419) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0023310 k( 420) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0023310 k( 421) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0023310 k( 422) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0023310 k( 423) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0023310 k( 424) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0023310 k( 425) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0023310 k( 426) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0023310 k( 427) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0023310 k( 428) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0023310 k( 429) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023310 Dense grid: 26115 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 11517 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 84, 32) NL pseudopotentials 0.04 Mb ( 42, 66) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 725) G-vector shells 0.00 Mb ( 362) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 84, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 66, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NixHOx2.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 2.9 secs Computing kpt #: 13 total cpu time spent up to now is 3.0 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.6 secs Computing kpt #: 20 total cpu time spent up to now is 3.7 secs Computing kpt #: 21 total cpu time spent up to now is 3.8 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.2 secs Computing kpt #: 25 total cpu time spent up to now is 4.3 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.1 secs Computing kpt #: 32 total cpu time spent up to now is 5.2 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.5 secs Computing kpt #: 35 total cpu time spent up to now is 5.6 secs Computing kpt #: 36 total cpu time spent up to now is 5.8 secs Computing kpt #: 37 total cpu time spent up to now is 5.9 secs Computing kpt #: 38 total cpu time spent up to now is 6.0 secs Computing kpt #: 39 total cpu time spent up to now is 6.2 secs Computing kpt #: 40 total cpu time spent up to now is 6.3 secs Computing kpt #: 41 total cpu time spent up to now is 6.5 secs Computing kpt #: 42 total cpu time spent up to now is 6.6 secs Computing kpt #: 43 total cpu time spent up to now is 6.7 secs Computing kpt #: 44 total cpu time spent up to now is 6.9 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.2 secs Computing kpt #: 47 total cpu time spent up to now is 7.3 secs Computing kpt #: 48 total cpu time spent up to now is 7.4 secs Computing kpt #: 49 total cpu time spent up to now is 7.6 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.8 secs Computing kpt #: 52 total cpu time spent up to now is 8.0 secs Computing kpt #: 53 total cpu time spent up to now is 8.1 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.3 secs Computing kpt #: 56 total cpu time spent up to now is 8.5 secs Computing kpt #: 57 total cpu time spent up to now is 8.6 secs Computing kpt #: 58 total cpu time spent up to now is 8.7 secs Computing kpt #: 59 total cpu time spent up to now is 8.9 secs Computing kpt #: 60 total cpu time spent up to now is 9.0 secs Computing kpt #: 61 total cpu time spent up to now is 9.1 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.5 secs Computing kpt #: 65 total cpu time spent up to now is 9.6 secs Computing kpt #: 66 total cpu time spent up to now is 9.7 secs Computing kpt #: 67 total cpu time spent up to now is 9.9 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.3 secs Computing kpt #: 71 total cpu time spent up to now is 10.4 secs Computing kpt #: 72 total cpu time spent up to now is 10.5 secs Computing kpt #: 73 total cpu time spent up to now is 10.6 secs Computing kpt #: 74 total cpu time spent up to now is 10.8 secs Computing kpt #: 75 total cpu time spent up to now is 10.9 secs Computing kpt #: 76 total cpu time spent up to now is 11.0 secs Computing kpt #: 77 total cpu time spent up to now is 11.1 secs Computing kpt #: 78 total cpu time spent up to now is 11.3 secs Computing kpt #: 79 total cpu time spent up to now is 11.4 secs Computing kpt #: 80 total cpu time spent up to now is 11.5 secs Computing kpt #: 81 total cpu time spent up to now is 11.7 secs Computing kpt #: 82 total cpu time spent up to now is 11.8 secs Computing kpt #: 83 total cpu time spent up to now is 11.9 secs Computing kpt #: 84 total cpu time spent up to now is 12.1 secs Computing kpt #: 85 total cpu time spent up to now is 12.2 secs Computing kpt #: 86 total cpu time spent up to now is 12.4 secs Computing kpt #: 87 total cpu time spent up to now is 12.5 secs Computing kpt #: 88 total cpu time spent up to now is 12.6 secs Computing kpt #: 89 total cpu time spent up to now is 12.8 secs Computing kpt #: 90 total cpu time spent up to now is 12.9 secs Computing kpt #: 91 total cpu time spent up to now is 13.0 secs Computing kpt #: 92 total cpu time spent up to now is 13.2 secs Computing kpt #: 93 total cpu time spent up to now is 13.3 secs Computing kpt #: 94 total cpu time spent up to now is 13.4 secs Computing kpt #: 95 total cpu time spent up to now is 13.6 secs Computing kpt #: 96 total cpu time spent up to now is 13.7 secs Computing kpt #: 97 total cpu time spent up to now is 13.9 secs Computing kpt #: 98 total cpu time spent up to now is 14.1 secs Computing kpt #: 99 total cpu time spent up to now is 14.2 secs Computing kpt #: 100 total cpu time spent up to now is 14.3 secs Computing kpt #: 101 total cpu time spent up to now is 14.5 secs Computing kpt #: 102 total cpu time spent up to now is 14.6 secs Computing kpt #: 103 total cpu time spent up to now is 14.7 secs Computing kpt #: 104 total cpu time spent up to now is 14.9 secs Computing kpt #: 105 total cpu time spent up to now is 15.0 secs Computing kpt #: 106 total cpu time spent up to now is 15.1 secs Computing kpt #: 107 total cpu time spent up to now is 15.3 secs Computing kpt #: 108 total cpu time spent up to now is 15.4 secs Computing kpt #: 109 total cpu time spent up to now is 15.5 secs Computing kpt #: 110 total cpu time spent up to now is 15.7 secs Computing kpt #: 111 total cpu time spent up to now is 15.8 secs Computing kpt #: 112 total cpu time spent up to now is 15.9 secs Computing kpt #: 113 total cpu time spent up to now is 16.1 secs Computing kpt #: 114 total cpu time spent up to now is 16.2 secs Computing kpt #: 115 total cpu time spent up to now is 16.3 secs Computing kpt #: 116 total cpu time spent up to now is 16.5 secs Computing kpt #: 117 total cpu time spent up to now is 16.6 secs Computing kpt #: 118 total cpu time spent up to now is 16.7 secs Computing kpt #: 119 total cpu time spent up to now is 16.9 secs Computing kpt #: 120 total cpu time spent up to now is 17.0 secs Computing kpt #: 121 total cpu time spent up to now is 17.1 secs Computing kpt #: 122 total cpu time spent up to now is 17.3 secs Computing kpt #: 123 total cpu time spent up to now is 17.4 secs Computing kpt #: 124 total cpu time spent up to now is 17.5 secs Computing kpt #: 125 total cpu time spent up to now is 17.7 secs Computing kpt #: 126 total cpu time spent up to now is 17.8 secs Computing kpt #: 127 total cpu time spent up to now is 17.9 secs Computing kpt #: 128 total cpu time spent up to now is 18.1 secs Computing kpt #: 129 total cpu time spent up to now is 18.2 secs Computing kpt #: 130 total cpu time spent up to now is 18.3 secs Computing kpt #: 131 total cpu time spent up to now is 18.5 secs Computing kpt #: 132 total cpu time spent up to now is 18.6 secs Computing kpt #: 133 total cpu time spent up to now is 18.7 secs Computing kpt #: 134 total cpu time spent up to now is 18.9 secs Computing kpt #: 135 total cpu time spent up to now is 19.0 secs Computing kpt #: 136 total cpu time spent up to now is 19.2 secs Computing kpt #: 137 total cpu time spent up to now is 19.3 secs Computing kpt #: 138 total cpu time spent up to now is 19.5 secs Computing kpt #: 139 total cpu time spent up to now is 19.6 secs Computing kpt #: 140 total cpu time spent up to now is 19.7 secs Computing kpt #: 141 total cpu time spent up to now is 19.9 secs Computing kpt #: 142 total cpu time spent up to now is 20.1 secs Computing kpt #: 143 total cpu time spent up to now is 20.2 secs Computing kpt #: 144 total cpu time spent up to now is 20.4 secs Computing kpt #: 145 total cpu time spent up to now is 20.5 secs Computing kpt #: 146 total cpu time spent up to now is 20.6 secs Computing kpt #: 147 total cpu time spent up to now is 20.7 secs Computing kpt #: 148 total cpu time spent up to now is 24.6 secs Computing kpt #: 149 total cpu time spent up to now is 24.7 secs Computing kpt #: 150 total cpu time spent up to now is 24.9 secs Computing kpt #: 151 total cpu time spent up to now is 25.0 secs Computing kpt #: 152 total cpu time spent up to now is 25.1 secs Computing kpt #: 153 total cpu time spent up to now is 25.2 secs Computing kpt #: 154 total cpu time spent up to now is 25.3 secs Computing kpt #: 155 total cpu time spent up to now is 25.4 secs Computing kpt #: 156 total cpu time spent up to now is 25.5 secs Computing kpt #: 157 total cpu time spent up to now is 25.6 secs Computing kpt #: 158 total cpu time spent up to now is 25.7 secs Computing kpt #: 159 total cpu time spent up to now is 25.8 secs Computing kpt #: 160 total cpu time spent up to now is 25.9 secs Computing kpt #: 161 total cpu time spent up to now is 26.0 secs Computing kpt #: 162 total cpu time spent up to now is 26.1 secs Computing kpt #: 163 total cpu time spent up to now is 26.2 secs Computing kpt #: 164 total cpu time spent up to now is 26.3 secs Computing kpt #: 165 total cpu time spent up to now is 26.4 secs Computing kpt #: 166 total cpu time spent up to now is 26.5 secs Computing kpt #: 167 total cpu time spent up to now is 26.6 secs Computing kpt #: 168 total cpu time spent up to now is 26.7 secs Computing kpt #: 169 total cpu time spent up to now is 26.9 secs Computing kpt #: 170 total cpu time spent up to now is 27.0 secs Computing kpt #: 171 total cpu time spent up to now is 27.1 secs Computing kpt #: 172 total cpu time spent up to now is 27.2 secs Computing kpt #: 173 total cpu time spent up to now is 27.3 secs Computing kpt #: 174 total cpu time spent up to now is 27.4 secs Computing kpt #: 175 total cpu time spent up to now is 27.6 secs Computing kpt #: 176 total cpu time spent up to now is 27.7 secs Computing kpt #: 177 total cpu time spent up to now is 27.8 secs Computing kpt #: 178 total cpu time spent up to now is 27.9 secs Computing kpt #: 179 total cpu time spent up to now is 28.1 secs Computing kpt #: 180 total cpu time spent up to now is 28.2 secs Computing kpt #: 181 total cpu time spent up to now is 28.3 secs Computing kpt #: 182 total cpu time spent up to now is 28.5 secs Computing kpt #: 183 total cpu time spent up to now is 28.6 secs Computing kpt #: 184 total cpu time spent up to now is 28.7 secs Computing kpt #: 185 total cpu time spent up to now is 28.9 secs Computing kpt #: 186 total cpu time spent up to now is 29.0 secs Computing kpt #: 187 total cpu time spent up to now is 29.1 secs Computing kpt #: 188 total cpu time spent up to now is 29.3 secs Computing kpt #: 189 total cpu time spent up to now is 29.4 secs Computing kpt #: 190 total cpu time spent up to now is 29.6 secs Computing kpt #: 191 total cpu time spent up to now is 29.7 secs Computing kpt #: 192 total cpu time spent up to now is 29.9 secs Computing kpt #: 193 total cpu time spent up to now is 30.0 secs Computing kpt #: 194 total cpu time spent up to now is 30.1 secs Computing kpt #: 195 total cpu time spent up to now is 30.3 secs Computing kpt #: 196 total cpu time spent up to now is 30.4 secs Computing kpt #: 197 total cpu time spent up to now is 30.6 secs Computing kpt #: 198 total cpu time spent up to now is 30.8 secs Computing kpt #: 199 total cpu time spent up to now is 30.9 secs Computing kpt #: 200 total cpu time spent up to now is 31.1 secs Computing kpt #: 201 total cpu time spent up to now is 31.2 secs Computing kpt #: 202 total cpu time spent up to now is 31.4 secs Computing kpt #: 203 total cpu time spent up to now is 31.6 secs Computing kpt #: 204 total cpu time spent up to now is 31.7 secs Computing kpt #: 205 total cpu time spent up to now is 31.9 secs Computing kpt #: 206 total cpu time spent up to now is 32.1 secs Computing kpt #: 207 total cpu time spent up to now is 32.2 secs Computing kpt #: 208 total cpu time spent up to now is 32.4 secs Computing kpt #: 209 total cpu time spent up to now is 32.6 secs Computing kpt #: 210 total cpu time spent up to now is 32.7 secs Computing kpt #: 211 total cpu time spent up to now is 32.9 secs Computing kpt #: 212 total cpu time spent up to now is 33.0 secs Computing kpt #: 213 total cpu time spent up to now is 33.2 secs Computing kpt #: 214 total cpu time spent up to now is 33.3 secs Computing kpt #: 215 total cpu time spent up to now is 33.5 secs Computing kpt #: 216 total cpu time spent up to now is 33.6 secs Computing kpt #: 217 total cpu time spent up to now is 33.8 secs Computing kpt #: 218 total cpu time spent up to now is 33.9 secs Computing kpt #: 219 total cpu time spent up to now is 34.0 secs Computing kpt #: 220 total cpu time spent up to now is 34.2 secs Computing kpt #: 221 total cpu time spent up to now is 34.3 secs Computing kpt #: 222 total cpu time spent up to now is 34.5 secs Computing kpt #: 223 total cpu time spent up to now is 34.6 secs Computing kpt #: 224 total cpu time spent up to now is 34.7 secs Computing kpt #: 225 total cpu time spent up to now is 34.9 secs Computing kpt #: 226 total cpu time spent up to now is 35.0 secs Computing kpt #: 227 total cpu time spent up to now is 35.1 secs Computing kpt #: 228 total cpu time spent up to now is 35.3 secs Computing kpt #: 229 total cpu time spent up to now is 35.4 secs Computing kpt #: 230 total cpu time spent up to now is 35.5 secs Computing kpt #: 231 total cpu time spent up to now is 35.7 secs Computing kpt #: 232 total cpu time spent up to now is 35.8 secs Computing kpt #: 233 total cpu time spent up to now is 35.9 secs Computing kpt #: 234 total cpu time spent up to now is 36.1 secs Computing kpt #: 235 total cpu time spent up to now is 36.2 secs Computing kpt #: 236 total cpu time spent up to now is 36.4 secs Computing kpt #: 237 total cpu time spent up to now is 36.5 secs Computing kpt #: 238 total cpu time spent up to now is 36.6 secs Computing kpt #: 239 total cpu time spent up to now is 36.8 secs Computing kpt #: 240 total cpu time spent up to now is 36.9 secs Computing kpt #: 241 total cpu time spent up to now is 37.0 secs Computing kpt #: 242 total cpu time spent up to now is 37.2 secs Computing kpt #: 243 total cpu time spent up to now is 37.3 secs Computing kpt #: 244 total cpu time spent up to now is 37.5 secs Computing kpt #: 245 total cpu time spent up to now is 37.6 secs Computing kpt #: 246 total cpu time spent up to now is 37.8 secs Computing kpt #: 247 total cpu time spent up to now is 37.9 secs Computing kpt #: 248 total cpu time spent up to now is 38.0 secs Computing kpt #: 249 total cpu time spent up to now is 38.2 secs Computing kpt #: 250 total cpu time spent up to now is 38.3 secs Computing kpt #: 251 total cpu time spent up to now is 38.5 secs Computing kpt #: 252 total cpu time spent up to now is 38.7 secs Computing kpt #: 253 total cpu time spent up to now is 38.8 secs Computing kpt #: 254 total cpu time spent up to now is 39.3 secs Computing kpt #: 255 total cpu time spent up to now is 39.5 secs Computing kpt #: 256 total cpu time spent up to now is 39.6 secs Computing kpt #: 257 total cpu time spent up to now is 39.8 secs Computing kpt #: 258 total cpu time spent up to now is 39.9 secs Computing kpt #: 259 total cpu time spent up to now is 40.1 secs Computing kpt #: 260 total cpu time spent up to now is 40.3 secs Computing kpt #: 261 total cpu time spent up to now is 40.4 secs Computing kpt #: 262 total cpu time spent up to now is 40.6 secs Computing kpt #: 263 total cpu time spent up to now is 40.8 secs Computing kpt #: 264 total cpu time spent up to now is 40.9 secs Computing kpt #: 265 total cpu time spent up to now is 41.1 secs Computing kpt #: 266 total cpu time spent up to now is 41.3 secs Computing kpt #: 267 total cpu time spent up to now is 41.4 secs Computing kpt #: 268 total cpu time spent up to now is 41.6 secs Computing kpt #: 269 total cpu time spent up to now is 41.8 secs Computing kpt #: 270 total cpu time spent up to now is 42.0 secs Computing kpt #: 271 total cpu time spent up to now is 42.1 secs Computing kpt #: 272 total cpu time spent up to now is 42.3 secs Computing kpt #: 273 total cpu time spent up to now is 42.4 secs Computing kpt #: 274 total cpu time spent up to now is 42.6 secs Computing kpt #: 275 total cpu time spent up to now is 42.8 secs Computing kpt #: 276 total cpu time spent up to now is 42.9 secs Computing kpt #: 277 total cpu time spent up to now is 43.1 secs Computing kpt #: 278 total cpu time spent up to now is 43.3 secs Computing kpt #: 279 total cpu time spent up to now is 43.5 secs Computing kpt #: 280 total cpu time spent up to now is 43.6 secs Computing kpt #: 281 total cpu time spent up to now is 43.8 secs Computing kpt #: 282 total cpu time spent up to now is 44.0 secs Computing kpt #: 283 total cpu time spent up to now is 44.1 secs Computing kpt #: 284 total cpu time spent up to now is 44.3 secs Computing kpt #: 285 total cpu time spent up to now is 44.4 secs Computing kpt #: 286 total cpu time spent up to now is 44.6 secs Computing kpt #: 287 total cpu time spent up to now is 44.8 secs Computing kpt #: 288 total cpu time spent up to now is 44.9 secs Computing kpt #: 289 total cpu time spent up to now is 45.1 secs Computing kpt #: 290 total cpu time spent up to now is 45.2 secs Computing kpt #: 291 total cpu time spent up to now is 45.4 secs Computing kpt #: 292 total cpu time spent up to now is 45.6 secs Computing kpt #: 293 total cpu time spent up to now is 45.7 secs Computing kpt #: 294 total cpu time spent up to now is 45.9 secs Computing kpt #: 295 total cpu time spent up to now is 46.0 secs Computing kpt #: 296 total cpu time spent up to now is 46.2 secs Computing kpt #: 297 total cpu time spent up to now is 46.3 secs Computing kpt #: 298 total cpu time spent up to now is 46.5 secs Computing kpt #: 299 total cpu time spent up to now is 46.7 secs Computing kpt #: 300 total cpu time spent up to now is 46.8 secs Computing kpt #: 301 total cpu time spent up to now is 47.0 secs Computing kpt #: 302 total cpu time spent up to now is 47.2 secs Computing kpt #: 303 total cpu time spent up to now is 47.4 secs Computing kpt #: 304 total cpu time spent up to now is 47.5 secs Computing kpt #: 305 total cpu time spent up to now is 47.7 secs Computing kpt #: 306 total cpu time spent up to now is 47.8 secs Computing kpt #: 307 total cpu time spent up to now is 48.0 secs Computing kpt #: 308 total cpu time spent up to now is 48.1 secs Computing kpt #: 309 total cpu time spent up to now is 48.3 secs Computing kpt #: 310 total cpu time spent up to now is 48.4 secs Computing kpt #: 311 total cpu time spent up to now is 48.5 secs Computing kpt #: 312 total cpu time spent up to now is 48.7 secs Computing kpt #: 313 total cpu time spent up to now is 48.8 secs Computing kpt #: 314 total cpu time spent up to now is 49.0 secs Computing kpt #: 315 total cpu time spent up to now is 49.1 secs Computing kpt #: 316 total cpu time spent up to now is 49.2 secs Computing kpt #: 317 total cpu time spent up to now is 49.4 secs Computing kpt #: 318 total cpu time spent up to now is 49.5 secs Computing kpt #: 319 total cpu time spent up to now is 49.6 secs Computing kpt #: 320 total cpu time spent up to now is 49.8 secs Computing kpt #: 321 total cpu time spent up to now is 49.9 secs Computing kpt #: 322 total cpu time spent up to now is 50.0 secs Computing kpt #: 323 total cpu time spent up to now is 50.2 secs Computing kpt #: 324 total cpu time spent up to now is 50.3 secs Computing kpt #: 325 total cpu time spent up to now is 50.4 secs Computing kpt #: 326 total cpu time spent up to now is 50.6 secs Computing kpt #: 327 total cpu time spent up to now is 50.7 secs Computing kpt #: 328 total cpu time spent up to now is 50.8 secs Computing kpt #: 329 total cpu time spent up to now is 50.9 secs Computing kpt #: 330 total cpu time spent up to now is 51.1 secs Computing kpt #: 331 total cpu time spent up to now is 51.2 secs Computing kpt #: 332 total cpu time spent up to now is 51.3 secs Computing kpt #: 333 total cpu time spent up to now is 51.5 secs Computing kpt #: 334 total cpu time spent up to now is 51.6 secs Computing kpt #: 335 total cpu time spent up to now is 51.7 secs Computing kpt #: 336 total cpu time spent up to now is 51.9 secs Computing kpt #: 337 total cpu time spent up to now is 52.0 secs Computing kpt #: 338 total cpu time spent up to now is 52.1 secs Computing kpt #: 339 total cpu time spent up to now is 52.3 secs Computing kpt #: 340 total cpu time spent up to now is 52.4 secs Computing kpt #: 341 total cpu time spent up to now is 52.5 secs Computing kpt #: 342 total cpu time spent up to now is 52.7 secs Computing kpt #: 343 total cpu time spent up to now is 52.9 secs Computing kpt #: 344 total cpu time spent up to now is 53.0 secs Computing kpt #: 345 total cpu time spent up to now is 53.2 secs Computing kpt #: 346 total cpu time spent up to now is 53.3 secs Computing kpt #: 347 total cpu time spent up to now is 53.5 secs Computing kpt #: 348 total cpu time spent up to now is 53.6 secs Computing kpt #: 349 total cpu time spent up to now is 53.8 secs Computing kpt #: 350 total cpu time spent up to now is 54.0 secs Computing kpt #: 351 total cpu time spent up to now is 54.1 secs Computing kpt #: 352 total cpu time spent up to now is 54.3 secs Computing kpt #: 353 total cpu time spent up to now is 54.5 secs Computing kpt #: 354 total cpu time spent up to now is 54.6 secs Computing kpt #: 355 total cpu time spent up to now is 54.8 secs Computing kpt #: 356 total cpu time spent up to now is 54.9 secs Computing kpt #: 357 total cpu time spent up to now is 55.1 secs Computing kpt #: 358 total cpu time spent up to now is 55.3 secs Computing kpt #: 359 total cpu time spent up to now is 55.4 secs Computing kpt #: 360 total cpu time spent up to now is 55.6 secs Computing kpt #: 361 total cpu time spent up to now is 55.7 secs Computing kpt #: 362 total cpu time spent up to now is 55.9 secs Computing kpt #: 363 total cpu time spent up to now is 56.0 secs Computing kpt #: 364 total cpu time spent up to now is 56.2 secs Computing kpt #: 365 total cpu time spent up to now is 56.3 secs Computing kpt #: 366 total cpu time spent up to now is 56.5 secs Computing kpt #: 367 total cpu time spent up to now is 56.6 secs Computing kpt #: 368 total cpu time spent up to now is 56.8 secs Computing kpt #: 369 total cpu time spent up to now is 56.9 secs Computing kpt #: 370 total cpu time spent up to now is 57.1 secs Computing kpt #: 371 total cpu time spent up to now is 57.2 secs Computing kpt #: 372 total cpu time spent up to now is 57.4 secs Computing kpt #: 373 total cpu time spent up to now is 57.5 secs Computing kpt #: 374 total cpu time spent up to now is 57.7 secs Computing kpt #: 375 total cpu time spent up to now is 57.8 secs Computing kpt #: 376 total cpu time spent up to now is 58.0 secs Computing kpt #: 377 total cpu time spent up to now is 58.1 secs Computing kpt #: 378 total cpu time spent up to now is 58.2 secs Computing kpt #: 379 total cpu time spent up to now is 58.4 secs Computing kpt #: 380 total cpu time spent up to now is 58.5 secs Computing kpt #: 381 total cpu time spent up to now is 58.6 secs Computing kpt #: 382 total cpu time spent up to now is 58.8 secs Computing kpt #: 383 total cpu time spent up to now is 58.9 secs Computing kpt #: 384 total cpu time spent up to now is 59.1 secs Computing kpt #: 385 total cpu time spent up to now is 59.2 secs Computing kpt #: 386 total cpu time spent up to now is 59.3 secs Computing kpt #: 387 total cpu time spent up to now is 59.5 secs Computing kpt #: 388 total cpu time spent up to now is 59.6 secs Computing kpt #: 389 total cpu time spent up to now is 59.7 secs Computing kpt #: 390 total cpu time spent up to now is 59.9 secs Computing kpt #: 391 total cpu time spent up to now is 60.0 secs Computing kpt #: 392 total cpu time spent up to now is 60.1 secs Computing kpt #: 393 total cpu time spent up to now is 60.2 secs Computing kpt #: 394 total cpu time spent up to now is 60.4 secs Computing kpt #: 395 total cpu time spent up to now is 60.5 secs Computing kpt #: 396 total cpu time spent up to now is 60.6 secs Computing kpt #: 397 total cpu time spent up to now is 60.8 secs Computing kpt #: 398 total cpu time spent up to now is 60.9 secs Computing kpt #: 399 total cpu time spent up to now is 61.1 secs Computing kpt #: 400 total cpu time spent up to now is 61.2 secs Computing kpt #: 401 total cpu time spent up to now is 61.3 secs Computing kpt #: 402 total cpu time spent up to now is 61.5 secs Computing kpt #: 403 total cpu time spent up to now is 61.6 secs Computing kpt #: 404 total cpu time spent up to now is 61.8 secs Computing kpt #: 405 total cpu time spent up to now is 61.9 secs Computing kpt #: 406 total cpu time spent up to now is 62.1 secs Computing kpt #: 407 total cpu time spent up to now is 62.2 secs Computing kpt #: 408 total cpu time spent up to now is 62.4 secs Computing kpt #: 409 total cpu time spent up to now is 62.6 secs Computing kpt #: 410 total cpu time spent up to now is 62.7 secs Computing kpt #: 411 total cpu time spent up to now is 62.9 secs Computing kpt #: 412 total cpu time spent up to now is 63.0 secs Computing kpt #: 413 total cpu time spent up to now is 63.2 secs Computing kpt #: 414 total cpu time spent up to now is 63.3 secs Computing kpt #: 415 total cpu time spent up to now is 63.5 secs Computing kpt #: 416 total cpu time spent up to now is 63.6 secs Computing kpt #: 417 total cpu time spent up to now is 63.8 secs Computing kpt #: 418 total cpu time spent up to now is 63.9 secs Computing kpt #: 419 total cpu time spent up to now is 64.1 secs Computing kpt #: 420 total cpu time spent up to now is 64.2 secs Computing kpt #: 421 total cpu time spent up to now is 64.4 secs Computing kpt #: 422 total cpu time spent up to now is 64.5 secs Computing kpt #: 423 total cpu time spent up to now is 64.7 secs Computing kpt #: 424 total cpu time spent up to now is 64.9 secs Computing kpt #: 425 total cpu time spent up to now is 65.0 secs Computing kpt #: 426 total cpu time spent up to now is 65.2 secs Computing kpt #: 427 total cpu time spent up to now is 65.4 secs Computing kpt #: 428 total cpu time spent up to now is 65.5 secs Computing kpt #: 429 total cpu time spent up to now is 65.7 secs ethr = 4.17E-08, avg # of iterations = 17.6 total cpu time spent up to now is 65.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -14.3102 -14.3102 -12.8172 -12.8172 -3.0874 -3.0874 0.9601 0.9601 1.9423 1.9423 1.9517 1.9517 3.6793 3.6793 3.7091 3.7091 5.1879 5.1879 5.2550 5.2550 5.3721 5.3721 6.8508 6.8508 6.9030 6.9030 7.7494 7.7494 11.8079 11.8079 15.6743 15.6743 k = 0.0086 0.0050-0.0000 ( 1459 PWs) bands (ev): -14.3097 -14.3097 -12.8172 -12.8172 -3.0865 -3.0865 0.9590 0.9590 1.9422 1.9422 1.9516 1.9516 3.6763 3.6763 3.7062 3.7062 5.1884 5.1884 5.2556 5.2556 5.3725 5.3725 6.8505 6.8505 6.9027 6.9027 7.7534 7.7534 11.8108 11.8108 15.6738 15.6738 k = 0.0172 0.0100-0.0000 ( 1471 PWs) bands (ev): -14.3082 -14.3082 -12.8172 -12.8172 -3.0840 -3.0840 0.9559 0.9559 1.9418 1.9418 1.9513 1.9513 3.6661 3.6661 3.6987 3.6987 5.1897 5.1897 5.2572 5.2572 5.3733 5.3733 6.8496 6.8496 6.9017 6.9017 7.7656 7.7656 11.8197 11.8197 15.6723 15.6723 k = 0.0259 0.0149-0.0000 ( 1465 PWs) bands (ev): -14.3056 -14.3056 -12.8172 -12.8172 -3.0798 -3.0798 0.9508 0.9508 1.9410 1.9410 1.9512 1.9512 3.6467 3.6467 3.6891 3.6891 5.1921 5.1921 5.2600 5.2600 5.3750 5.3750 6.8482 6.8482 6.9004 6.9004 7.7858 7.7858 11.8344 11.8344 15.6698 15.6698 k = 0.0345 0.0199-0.0000 ( 1467 PWs) bands (ev): -14.3021 -14.3021 -12.8172 -12.8172 -3.0739 -3.0739 0.9437 0.9437 1.9393 1.9393 1.9515 1.9515 3.6173 3.6173 3.6786 3.6786 5.1950 5.1950 5.2639 5.2639 5.3773 5.3773 6.8461 6.8461 6.8984 6.8984 7.8139 7.8139 11.8549 11.8549 15.6663 15.6663 k = 0.0431 0.0249-0.0000 ( 1467 PWs) bands (ev): -14.2976 -14.2976 -12.8172 -12.8172 -3.0664 -3.0664 0.9347 0.9347 1.9367 1.9367 1.9523 1.9523 3.5789 3.5789 3.6668 3.6668 5.1984 5.1984 5.2687 5.2687 5.3804 5.3804 6.8431 6.8431 6.8959 6.8959 7.8496 7.8496 11.8810 11.8810 15.6617 15.6617 k = 0.0517 0.0299-0.0000 ( 1465 PWs) bands (ev): -14.2920 -14.2920 -12.8172 -12.8172 -3.0571 -3.0571 0.9237 0.9237 1.9332 1.9332 1.9537 1.9537 3.5326 3.5326 3.6534 3.6534 5.2021 5.2021 5.2745 5.2745 5.3843 5.3843 6.8393 6.8393 6.8931 6.8931 7.8926 7.8926 11.9124 11.9124 15.6562 15.6562 k = 0.0603 0.0348-0.0000 ( 1463 PWs) bands (ev): -14.2855 -14.2855 -12.8172 -12.8172 -3.0463 -3.0463 0.9109 0.9109 1.9287 1.9287 1.9554 1.9554 3.4794 3.4794 3.6383 3.6383 5.2056 5.2056 5.2811 5.2811 5.3889 5.3889 6.8344 6.8344 6.8901 6.8901 7.9425 7.9425 11.9491 11.9491 15.6496 15.6496 k = 0.0690 0.0398-0.0000 ( 1463 PWs) bands (ev): -14.2780 -14.2780 -12.8173 -12.8173 -3.0338 -3.0338 0.8963 0.8963 1.9232 1.9232 1.9576 1.9576 3.4200 3.4200 3.6214 3.6214 5.2088 5.2088 5.2884 5.2884 5.3944 5.3944 6.8284 6.8284 6.8870 6.8870 7.9989 7.9989 11.9906 11.9906 15.6420 15.6420 k = 0.0776 0.0448-0.0000 ( 1457 PWs) bands (ev): -14.2696 -14.2696 -12.8173 -12.8173 -3.0196 -3.0196 0.8800 0.8800 1.9169 1.9169 1.9602 1.9602 3.3552 3.3552 3.6029 3.6029 5.2115 5.2115 5.2966 5.2966 5.4007 5.4007 6.8212 6.8212 6.8840 6.8840 8.0614 8.0614 12.0368 12.0368 15.6334 15.6334 k = 0.0862 0.0498-0.0000 ( 1457 PWs) bands (ev): -14.2602 -14.2602 -12.8174 -12.8174 -3.0039 -3.0039 0.8620 0.8620 1.9095 1.9095 1.9631 1.9631 3.2858 3.2858 3.5827 3.5827 5.2134 5.2134 5.3053 5.3053 5.4078 5.4078 6.8127 6.8127 6.8811 6.8811 8.1294 8.1294 12.0874 12.0874 15.6237 15.6237 k = 0.0948 0.0547-0.0000 ( 1457 PWs) bands (ev): -14.2498 -14.2498 -12.8176 -12.8176 -2.9866 -2.9866 0.8423 0.8423 1.9010 1.9010 1.9663 1.9663 3.2124 3.2124 3.5612 3.5612 5.2146 5.2146 5.3147 5.3147 5.4157 5.4157 6.8031 6.8031 6.8785 6.8785 8.2024 8.2024 12.1419 12.1419 15.6130 15.6130 k = 0.1034 0.0597-0.0000 ( 1453 PWs) bands (ev): -14.2386 -14.2386 -12.8177 -12.8177 -2.9677 -2.9677 0.8212 0.8212 1.8914 1.8914 1.9698 1.9698 3.1358 3.1358 3.5383 3.5383 5.2149 5.2149 5.3245 5.3245 5.4243 5.4243 6.7924 6.7924 6.8762 6.8762 8.2800 8.2800 12.2002 12.2002 15.6012 15.6012 k = 0.1121 0.0647-0.0000 ( 1457 PWs) bands (ev): -14.2264 -14.2264 -12.8180 -12.8180 -2.9472 -2.9472 0.7986 0.7986 1.8807 1.8807 1.9736 1.9736 3.0564 3.0564 3.5142 3.5142 5.2143 5.2143 5.3346 5.3346 5.4336 5.4336 6.7808 6.7808 6.8741 6.8741 8.3616 8.3616 12.2616 12.2616 15.5883 15.5883 k = 0.1207 0.0697-0.0000 ( 1461 PWs) bands (ev): -14.2134 -14.2134 -12.8183 -12.8183 -2.9253 -2.9253 0.7746 0.7746 1.8687 1.8687 1.9776 1.9776 2.9749 2.9749 3.4891 3.4891 5.2129 5.2129 5.3449 5.3449 5.4434 5.4434 6.7684 6.7684 6.8724 6.8724 8.4468 8.4468 12.3260 12.3260 15.5744 15.5744 k = 0.1293 0.0747-0.0000 ( 1457 PWs) bands (ev): -14.1995 -14.1995 -12.8187 -12.8187 -2.9019 -2.9019 0.7494 0.7494 1.8554 1.8554 1.9820 1.9820 2.8919 2.8919 3.4630 3.4630 5.2108 5.2108 5.3555 5.3555 5.4539 5.4539 6.7555 6.7555 6.8711 6.8711 8.5351 8.5351 12.3929 12.3929 15.5594 15.5594 k = 0.1379 0.0796-0.0000 ( 1459 PWs) bands (ev): -14.1848 -14.1848 -12.8191 -12.8191 -2.8770 -2.8770 0.7229 0.7229 1.8407 1.8407 1.9866 1.9866 2.8078 2.8078 3.4361 3.4361 5.2080 5.2080 5.3661 5.3661 5.4647 5.4647 6.7420 6.7420 6.8701 6.8701 8.6261 8.6261 12.4619 12.4619 15.5434 15.5434 k = 0.1466 0.0846-0.0000 ( 1459 PWs) bands (ev): -14.1693 -14.1693 -12.8197 -12.8197 -2.8506 -2.8506 0.6952 0.6952 1.8244 1.8244 1.9916 1.9916 2.7233 2.7233 3.4085 3.4085 5.2045 5.2045 5.3767 5.3767 5.4758 5.4758 6.7280 6.7280 6.8694 6.8694 8.7195 8.7195 12.5326 12.5326 15.5264 15.5264 k = 0.1552 0.0896-0.0000 ( 1455 PWs) bands (ev): -14.1530 -14.1530 -12.8204 -12.8204 -2.8229 -2.8229 0.6665 0.6665 1.8064 1.8064 1.9967 1.9967 2.6388 2.6388 3.3802 3.3802 5.2005 5.2005 5.3874 5.3874 5.4872 5.4872 6.7139 6.7139 6.8691 6.8691 8.8147 8.8147 12.6045 12.6045 15.5083 15.5083 k = 0.1638 0.0946-0.0000 ( 1455 PWs) bands (ev): -14.1359 -14.1359 -12.8212 -12.8212 -2.7938 -2.7938 0.6367 0.6367 1.7864 1.7864 2.0021 2.0021 2.5550 2.5550 3.3515 3.3515 5.1959 5.1959 5.3981 5.3981 5.4986 5.4986 6.6995 6.6995 6.8691 6.8691 8.9116 8.9116 12.6772 12.6772 15.4893 15.4893 k = 0.1724 0.0995-0.0000 ( 1459 PWs) bands (ev): -14.1181 -14.1181 -12.8221 -12.8221 -2.7634 -2.7634 0.6059 0.6059 1.7642 1.7642 2.0077 2.0077 2.4724 2.4724 3.3223 3.3223 5.1908 5.1908 5.4087 5.4087 5.5099 5.5099 6.6850 6.6850 6.8696 6.8696 9.0098 9.0098 12.7502 12.7502 15.4694 15.4694 k = 0.1810 0.1045-0.0000 ( 1459 PWs) bands (ev): -14.0996 -14.0996 -12.8232 -12.8232 -2.7317 -2.7317 0.5742 0.5742 1.7393 1.7393 2.0135 2.0135 2.3918 2.3918 3.2929 3.2929 5.1853 5.1853 5.4193 5.4193 5.5212 5.5212 6.6705 6.6705 6.8705 6.8705 9.1090 9.1090 12.8231 12.8231 15.4485 15.4485 k = 0.1897 0.1095-0.0000 ( 1451 PWs) bands (ev): -14.0804 -14.0804 -12.8245 -12.8245 -2.6988 -2.6988 0.5416 0.5416 1.7115 1.7115 2.0196 2.0196 2.3140 2.3140 3.2632 3.2632 5.1794 5.1794 5.4299 5.4299 5.5324 5.5324 6.6561 6.6561 6.8718 6.8718 9.2089 9.2089 12.8955 12.8955 15.4269 15.4269 k = 0.1983 0.1145-0.0000 ( 1451 PWs) bands (ev): -14.0607 -14.0607 -12.8259 -12.8259 -2.6647 -2.6647 0.5082 0.5082 1.6799 1.6799 2.0259 2.0259 2.2396 2.2396 3.2333 3.2333 5.1731 5.1731 5.4403 5.4403 5.5433 5.5433 6.6417 6.6417 6.8736 6.8736 9.3093 9.3093 12.9667 12.9667 15.4044 15.4045 k = 0.2069 0.1195-0.0000 ( 1449 PWs) bands (ev): -14.0403 -14.0403 -12.8275 -12.8275 -2.6294 -2.6294 0.4740 0.4740 1.6442 1.6442 2.0324 2.0324 2.1697 2.1697 3.2034 3.2034 5.1665 5.1665 5.4506 5.4506 5.5539 5.5539 6.6274 6.6274 6.8758 6.8758 9.4099 9.4099 13.0364 13.0364 15.3813 15.3813 k = 0.2155 0.1244-0.0000 ( 1449 PWs) bands (ev): -14.0193 -14.0193 -12.8294 -12.8294 -2.5930 -2.5930 0.4390 0.4390 1.6038 1.6038 2.0390 2.0390 2.1051 2.1051 3.1734 3.1734 5.1595 5.1595 5.4608 5.4608 5.5641 5.5641 6.6133 6.6133 6.8784 6.8784 9.5105 9.5105 13.1041 13.1041 15.3576 15.3576 k = 0.2241 0.1294-0.0000 ( 1449 PWs) bands (ev): -13.9979 -13.9979 -12.8314 -12.8314 -2.5556 -2.5556 0.4034 0.4034 1.5582 1.5582 2.0427 2.0427 2.0495 2.0495 3.1435 3.1435 5.1523 5.1523 5.4708 5.4708 5.5741 5.5741 6.5993 6.5993 6.8814 6.8814 9.6109 9.6109 13.1692 13.1692 15.3332 15.3332 k = 0.2328 0.1344-0.0000 ( 1449 PWs) bands (ev): -13.9759 -13.9759 -12.8337 -12.8337 -2.5171 -2.5171 0.3671 0.3671 1.5075 1.5075 1.9931 1.9931 2.0534 2.0534 3.1136 3.1136 5.1449 5.1449 5.4805 5.4805 5.5837 5.5837 6.5855 6.5855 6.8850 6.8850 9.7108 9.7108 13.2313 13.2313 15.3082 15.3082 k = 0.2414 0.1394-0.0000 ( 1455 PWs) bands (ev): -13.9535 -13.9535 -12.8363 -12.8363 -2.4777 -2.4777 0.3300 0.3300 1.4519 1.4519 1.9464 1.9464 2.0607 2.0607 3.0839 3.0839 5.1372 5.1372 5.4899 5.4899 5.5929 5.5929 6.5718 6.5718 6.8888 6.8888 9.8102 9.8102 13.2899 13.2899 15.2825 15.2825 k = 0.2500 0.1443-0.0000 ( 1455 PWs) bands (ev): -13.9307 -13.9307 -12.8391 -12.8391 -2.4375 -2.4375 0.2925 0.2925 1.3924 1.3924 1.9052 1.9052 2.0681 2.0681 3.0544 3.0544 5.1294 5.1294 5.4990 5.4990 5.6018 5.6018 6.5585 6.5585 6.8931 6.8931 9.9087 9.9087 13.3447 13.3447 15.2562 15.2562 k = 0.2586 0.1493-0.0000 ( 1455 PWs) bands (ev): -13.9076 -13.9076 -12.8422 -12.8422 -2.3964 -2.3964 0.2545 0.2545 1.3296 1.3296 1.8688 1.8688 2.0758 2.0758 3.0252 3.0252 5.1215 5.1215 5.5077 5.5077 5.6103 5.6103 6.5455 6.5455 6.8978 6.8978 10.0063 10.0063 13.3951 13.3951 15.2291 15.2291 k = 0.2672 0.1543-0.0000 ( 1455 PWs) bands (ev): -13.8842 -13.8842 -12.8456 -12.8456 -2.3545 -2.3545 0.2160 0.2160 1.2646 1.2646 1.8365 1.8365 2.0837 2.0837 2.9963 2.9963 5.1135 5.1135 5.5159 5.5159 5.6187 5.6187 6.5327 6.5327 6.9028 6.9028 10.1027 10.1027 13.4408 13.4408 15.2009 15.2009 k = 0.2759 0.1593-0.0000 ( 1451 PWs) bands (ev): -13.8604 -13.8604 -12.8493 -12.8493 -2.3119 -2.3119 0.1770 0.1770 1.1983 1.1983 1.8076 1.8076 2.0917 2.0917 2.9677 2.9677 5.1054 5.1054 5.5236 5.5236 5.6267 5.6267 6.5203 6.5203 6.9081 6.9081 10.1978 10.1978 13.4817 13.4817 15.1713 15.1713 k = 0.2845 0.1642-0.0000 ( 1447 PWs) bands (ev): -13.8365 -13.8365 -12.8533 -12.8533 -2.2687 -2.2687 0.1377 0.1377 1.1314 1.1314 1.7815 1.7815 2.1000 2.1000 2.9394 2.9394 5.0973 5.0973 5.5307 5.5307 5.6346 5.6346 6.5083 6.5083 6.9137 6.9137 10.2914 10.2914 13.5174 13.5174 15.1401 15.1401 k = 0.2931 0.1692-0.0000 ( 1451 PWs) bands (ev): -13.8124 -13.8124 -12.8576 -12.8576 -2.2249 -2.2249 0.0980 0.0980 1.0645 1.0645 1.7577 1.7577 2.1083 2.1083 2.9115 2.9115 5.0891 5.0891 5.5371 5.5371 5.6421 5.6421 6.4966 6.4966 6.9194 6.9194 10.3834 10.3834 13.5479 13.5479 15.1068 15.1068 k = 0.3017 0.1742-0.0000 ( 1451 PWs) bands (ev): -13.7882 -13.7882 -12.8623 -12.8623 -2.1806 -2.1806 0.0580 0.0580 0.9983 0.9983 1.7358 1.7358 2.1169 2.1169 2.8841 2.8841 5.0810 5.0810 5.5429 5.5429 5.6494 5.6494 6.4853 6.4853 6.9254 6.9254 10.4736 10.4736 13.5731 13.5731 15.0712 15.0712 k = 0.3103 0.1792-0.0000 ( 1449 PWs) bands (ev): -13.7639 -13.7639 -12.8673 -12.8673 -2.1359 -2.1359 0.0178 0.0178 0.9331 0.9331 1.7157 1.7157 2.1256 2.1256 2.8571 2.8571 5.0729 5.0729 5.5481 5.5481 5.6566 5.6566 6.4745 6.4745 6.9315 6.9315 10.5619 10.5619 13.5932 13.5932 15.0329 15.0329 k = 0.3190 0.1842-0.0000 ( 1451 PWs) bands (ev): -13.7397 -13.7397 -12.8727 -12.8727 -2.0909 -2.0909 -0.0225 -0.0225 0.8692 0.8692 1.6970 1.6970 2.1345 2.1345 2.8305 2.8305 5.0649 5.0649 5.5525 5.5525 5.6634 5.6634 6.4642 6.4642 6.9377 6.9377 10.6480 10.6480 13.6083 13.6083 14.9920 14.9920 k = 0.3276 0.1891-0.0000 ( 1451 PWs) bands (ev): -13.7155 -13.7155 -12.8784 -12.8784 -2.0456 -2.0456 -0.0629 -0.0629 0.8069 0.8069 1.6797 1.6797 2.1436 2.1436 2.8045 2.8045 5.0570 5.0570 5.5564 5.5564 5.6699 5.6699 6.4544 6.4544 6.9440 6.9440 10.7320 10.7320 13.6187 13.6187 14.9485 14.9485 k = 0.3362 0.1941-0.0000 ( 1451 PWs) bands (ev): -13.6914 -13.6914 -12.8845 -12.8845 -2.0001 -2.0001 -0.1034 -0.1034 0.7465 0.7465 1.6636 1.6636 2.1529 2.1529 2.7789 2.7789 5.0493 5.0493 5.5596 5.5596 5.6761 5.6761 6.4452 6.4452 6.9503 6.9503 10.8135 10.8135 13.6246 13.6246 14.9028 14.9028 k = 0.3448 0.1991-0.0000 ( 1451 PWs) bands (ev): -13.6675 -13.6675 -12.8908 -12.8908 -1.9545 -1.9545 -0.1437 -0.1437 0.6880 0.6880 1.6486 1.6486 2.1624 2.1624 2.7539 2.7539 5.0418 5.0418 5.5623 5.5623 5.6819 5.6819 6.4365 6.4365 6.9565 6.9565 10.8925 10.8925 13.6266 13.6266 14.8552 14.8552 k = 0.3534 0.2041-0.0000 ( 1445 PWs) bands (ev): -13.6438 -13.6438 -12.8976 -12.8976 -1.9089 -1.9089 -0.1839 -0.1839 0.6318 0.6318 1.6347 1.6347 2.1720 2.1720 2.7295 2.7295 5.0345 5.0345 5.5646 5.5646 5.6874 5.6874 6.4284 6.4284 6.9627 6.9627 10.9689 10.9689 13.6250 13.6250 14.8066 14.8066 k = 0.3621 0.2090-0.0000 ( 1445 PWs) bands (ev): -13.6204 -13.6204 -12.9046 -12.9046 -1.8635 -1.8635 -0.2238 -0.2238 0.5778 0.5778 1.6218 1.6218 2.1819 2.1819 2.7056 2.7056 5.0274 5.0274 5.5663 5.5663 5.6924 5.6924 6.4210 6.4210 6.9688 6.9688 11.0424 11.0424 13.6202 13.6202 14.7573 14.7573 k = 0.3707 0.2140-0.0000 ( 1445 PWs) bands (ev): -13.5975 -13.5975 -12.9119 -12.9119 -1.8183 -1.8183 -0.2634 -0.2634 0.5263 0.5263 1.6099 1.6099 2.1920 2.1920 2.6823 2.6823 5.0206 5.0206 5.5676 5.5676 5.6969 5.6969 6.4141 6.4141 6.9746 6.9746 11.1129 11.1129 13.6127 13.6127 14.7082 14.7082 k = 0.3793 0.2190-0.0000 ( 1449 PWs) bands (ev): -13.5750 -13.5750 -12.9195 -12.9195 -1.7735 -1.7735 -0.3027 -0.3027 0.4773 0.4773 1.5989 1.5989 2.2022 2.2022 2.6595 2.6595 5.0141 5.0141 5.5684 5.5684 5.7008 5.7008 6.4079 6.4079 6.9803 6.9803 11.1803 11.1803 13.6029 13.6029 14.6599 14.6599 k = 0.3879 0.2240-0.0000 ( 1443 PWs) bands (ev): -13.5531 -13.5531 -12.9273 -12.9273 -1.7292 -1.7292 -0.3412 -0.3412 0.4311 0.4311 1.5888 1.5888 2.2127 2.2127 2.6374 2.6374 5.0079 5.0079 5.5691 5.5691 5.7044 5.7044 6.4025 6.4025 6.9858 6.9858 11.2444 11.2444 13.5914 13.5914 14.6130 14.6130 k = 0.3966 0.2289-0.0000 ( 1443 PWs) bands (ev): -13.5318 -13.5318 -12.9353 -12.9353 -1.6856 -1.6856 -0.3791 -0.3791 0.3876 0.3876 1.5796 1.5796 2.2233 2.2233 2.6158 2.6158 5.0021 5.0021 5.5695 5.5695 5.7075 5.7075 6.3975 6.3975 6.9910 6.9910 11.3050 11.3050 13.5784 13.5784 14.5679 14.5679 k = 0.4052 0.2339-0.0000 ( 1443 PWs) bands (ev): -13.5113 -13.5113 -12.9435 -12.9435 -1.6430 -1.6430 -0.4162 -0.4162 0.3470 0.3470 1.5712 1.5712 2.2342 2.2342 2.5950 2.5950 4.9966 4.9966 5.5696 5.5696 5.7101 5.7101 6.3932 6.3932 6.9959 6.9959 11.3619 11.3619 13.5644 13.5644 14.5253 14.5253 k = 0.4138 0.2389-0.0000 ( 1444 PWs) bands (ev): -13.4917 -13.4917 -12.9516 -12.9516 -1.6014 -1.6014 -0.4523 -0.4523 0.3094 0.3094 1.5637 1.5637 2.2452 2.2452 2.5747 2.5747 4.9915 4.9915 5.5695 5.5695 5.7122 5.7122 6.3895 6.3895 7.0004 7.0004 11.4149 11.4149 13.5498 13.5498 14.4853 14.4853 k = 0.4224 0.2439-0.0000 ( 1440 PWs) bands (ev): -13.4731 -13.4731 -12.9597 -12.9597 -1.5612 -1.5612 -0.4871 -0.4871 0.2750 0.2750 1.5570 1.5570 2.2565 2.2565 2.5551 2.5551 4.9868 4.9868 5.5695 5.5695 5.7140 5.7140 6.3863 6.3863 7.0046 7.0046 11.4639 11.4639 13.5351 13.5351 14.4485 14.4485 k = 0.4310 0.2489-0.0000 ( 1436 PWs) bands (ev): -13.4557 -13.4557 -12.9676 -12.9676 -1.5228 -1.5228 -0.5205 -0.5205 0.2438 0.2438 1.5510 1.5510 2.2678 2.2678 2.5363 2.5363 4.9827 4.9827 5.5692 5.5692 5.7154 5.7154 6.3836 6.3836 7.0085 7.0085 11.5086 11.5086 13.5206 13.5206 14.4150 14.4150 k = 0.4397 0.2538-0.0000 ( 1440 PWs) bands (ev): -13.4396 -13.4396 -12.9753 -12.9753 -1.4865 -1.4865 -0.5521 -0.5521 0.2160 0.2160 1.5458 1.5458 2.2792 2.2792 2.5181 2.5181 4.9789 4.9789 5.5688 5.5688 5.7165 5.7165 6.3814 6.3814 7.0119 7.0119 11.5487 11.5487 13.5066 13.5066 14.3851 14.3851 k = 0.4483 0.2588-0.0000 ( 1442 PWs) bands (ev): -13.4250 -13.4250 -12.9824 -12.9824 -1.4529 -1.4529 -0.5815 -0.5815 0.1916 0.1916 1.5413 1.5413 2.2906 2.2906 2.5009 2.5009 4.9756 4.9756 5.5684 5.5684 5.7172 5.7172 6.3795 6.3795 7.0149 7.0149 11.5841 11.5841 13.4935 13.4935 14.3589 14.3589 k = 0.4569 0.2638-0.0000 ( 1440 PWs) bands (ev): -13.4122 -13.4122 -12.9890 -12.9890 -1.4225 -1.4225 -0.6082 -0.6082 0.1707 0.1707 1.5376 1.5376 2.3020 2.3020 2.4847 2.4847 4.9728 4.9728 5.5681 5.5681 5.7179 5.7179 6.3781 6.3781 7.0175 7.0175 11.6145 11.6145 13.4818 13.4818 14.3366 14.3366 k = 0.4655 0.2688-0.0000 ( 1438 PWs) bands (ev): -13.4013 -13.4013 -12.9947 -12.9947 -1.3959 -1.3959 -0.6315 -0.6315 0.1535 0.1535 1.5346 1.5346 2.3130 2.3130 2.4697 2.4697 4.9704 4.9704 5.5678 5.5678 5.7184 5.7184 6.3769 6.3769 7.0196 7.0196 11.6397 11.6397 13.4718 13.4718 14.3182 14.3182 k = 0.4741 0.2737-0.0000 ( 1438 PWs) bands (ev): -13.3925 -13.3925 -12.9994 -12.9994 -1.3741 -1.3741 -0.6508 -0.6508 0.1401 0.1401 1.5322 1.5322 2.3232 2.3232 2.4564 2.4564 4.9686 4.9686 5.5676 5.5676 5.7187 5.7187 6.3761 6.3761 7.0213 7.0213 11.6596 11.6596 13.4636 13.4636 14.3038 14.3038 k = 0.4828 0.2787-0.0000 ( 1434 PWs) bands (ev): -13.3861 -13.3861 -13.0029 -13.0029 -1.3578 -1.3578 -0.6653 -0.6653 0.1304 0.1304 1.5305 1.5305 2.3320 2.3320 2.4454 2.4454 4.9673 4.9673 5.5674 5.5674 5.7189 5.7189 6.3755 6.3755 7.0225 7.0225 11.6739 11.6739 13.4576 13.4576 14.2936 14.2936 k = 0.4914 0.2837-0.0000 ( 1434 PWs) bands (ev): -13.3822 -13.3822 -13.0051 -13.0051 -1.3476 -1.3476 -0.6743 -0.6743 0.1246 0.1246 1.5295 1.5295 2.3381 2.3381 2.4380 2.4380 4.9665 4.9665 5.5673 5.5673 5.7190 5.7190 6.3752 6.3752 7.0232 7.0232 11.6825 11.6825 13.4538 13.4538 14.2874 14.2874 k = 0.5000 0.2887-0.0000 ( 1438 PWs) bands (ev): -13.3809 -13.3809 -13.0058 -13.0058 -1.3442 -1.3442 -0.6774 -0.6774 0.1227 0.1227 1.5292 1.5292 2.3404 2.3404 2.4353 2.4353 4.9662 4.9662 5.5672 5.5672 5.7189 5.7189 6.3750 6.3750 7.0235 7.0235 11.6854 11.6854 13.4526 13.4526 14.2853 14.2853 k = 0.5000 0.2887-0.0000 ( 1438 PWs) bands (ev): -13.3809 -13.3809 -13.0058 -13.0058 -1.3442 -1.3442 -0.6774 -0.6774 0.1227 0.1227 1.5292 1.5292 2.3404 2.3404 2.4353 2.4353 4.9662 4.9662 5.5672 5.5672 5.7189 5.7189 6.3750 6.3750 7.0235 7.0235 11.6854 11.6854 13.4526 13.4526 14.2853 14.2853 k = 0.4951 0.2972-0.0000 ( 1434 PWs) bands (ev): -13.3806 -13.3806 -13.0059 -13.0059 -1.3438 -1.3438 -0.6775 -0.6775 0.1234 0.1234 1.5285 1.5285 2.3413 2.3413 2.4326 2.4326 4.9676 4.9676 5.5672 5.5672 5.7189 5.7189 6.3749 6.3749 7.0217 7.0217 11.6879 11.6879 13.4529 13.4529 14.2865 14.2865 k = 0.4902 0.3057-0.0000 ( 1438 PWs) bands (ev): -13.3798 -13.3798 -13.0061 -13.0061 -1.3430 -1.3430 -0.6780 -0.6780 0.1257 0.1257 1.5262 1.5262 2.3442 2.3442 2.4247 2.4247 4.9716 4.9716 5.5668 5.5668 5.7186 5.7186 6.3745 6.3745 7.0163 7.0163 11.6953 11.6953 13.4537 13.4537 14.2902 14.2902 k = 0.4853 0.3141-0.0000 ( 1436 PWs) bands (ev): -13.3786 -13.3786 -13.0063 -13.0063 -1.3414 -1.3414 -0.6788 -0.6788 0.1294 0.1294 1.5225 1.5225 2.3490 2.3490 2.4118 2.4118 4.9782 4.9782 5.5663 5.5663 5.7181 5.7181 6.3738 6.3738 7.0075 7.0075 11.7075 11.7075 13.4549 13.4549 14.2962 14.2962 k = 0.4804 0.3226-0.0000 ( 1432 PWs) bands (ev): -13.3768 -13.3768 -13.0067 -13.0067 -1.3393 -1.3393 -0.6800 -0.6800 0.1346 0.1346 1.5175 1.5175 2.3554 2.3554 2.3941 2.3941 4.9872 4.9872 5.5656 5.5656 5.7174 5.7174 6.3729 6.3729 6.9954 6.9954 11.7245 11.7245 13.4567 13.4567 14.3047 14.3047 k = 0.4755 0.3311-0.0000 ( 1432 PWs) bands (ev): -13.3745 -13.3745 -13.0072 -13.0072 -1.3365 -1.3365 -0.6815 -0.6815 0.1413 0.1413 1.5112 1.5112 2.3612 2.3612 2.3740 2.3740 4.9984 4.9984 5.5647 5.5647 5.7164 5.7164 6.3717 6.3717 6.9801 6.9801 11.7460 11.7460 13.4587 13.4587 14.3154 14.3154 k = 0.4706 0.3396-0.0000 ( 1428 PWs) bands (ev): -13.3718 -13.3718 -13.0079 -13.0079 -1.3332 -1.3332 -0.6833 -0.6833 0.1494 0.1494 1.5037 1.5037 2.3421 2.3421 2.3757 2.3757 5.0116 5.0116 5.5637 5.5637 5.7153 5.7153 6.3704 6.3704 6.9618 6.9618 11.7719 11.7719 13.4611 13.4611 14.3285 14.3285 k = 0.4657 0.3481-0.0000 ( 1424 PWs) bands (ev): -13.3685 -13.3685 -13.0087 -13.0087 -1.3292 -1.3292 -0.6855 -0.6855 0.1590 0.1590 1.4953 1.4953 2.3113 2.3113 2.3865 2.3865 5.0267 5.0267 5.5625 5.5625 5.7141 5.7141 6.3688 6.3688 6.9408 6.9408 11.8018 11.8018 13.4636 13.4636 14.3437 14.3437 k = 0.4608 0.3566-0.0000 ( 1420 PWs) bands (ev): -13.3648 -13.3648 -13.0096 -13.0096 -1.3246 -1.3246 -0.6881 -0.6881 0.1700 0.1700 1.4860 1.4860 2.2763 2.2763 2.3989 2.3989 5.0432 5.0432 5.5610 5.5610 5.7127 5.7127 6.3670 6.3670 6.9174 6.9174 11.8355 11.8355 13.4662 13.4662 14.3609 14.3609 k = 0.4559 0.3651-0.0000 ( 1420 PWs) bands (ev): -13.3606 -13.3606 -13.0107 -13.0107 -1.3194 -1.3194 -0.6911 -0.6911 0.1824 0.1824 1.4760 1.4760 2.2377 2.2377 2.4124 2.4124 5.0608 5.0608 5.5593 5.5593 5.7110 5.7110 6.3650 6.3650 6.8918 6.8918 11.8728 11.8728 13.4688 13.4688 14.3801 14.3801 k = 0.4510 0.3736-0.0000 ( 1420 PWs) bands (ev): -13.3559 -13.3559 -13.0120 -13.0120 -1.3136 -1.3136 -0.6946 -0.6946 0.1961 0.1961 1.4654 1.4654 2.1961 2.1961 2.4268 2.4268 5.0792 5.0792 5.5575 5.5575 5.7093 5.7093 6.3629 6.3629 6.8645 6.8645 11.9132 11.9132 13.4712 13.4712 14.4011 14.4011 k = 0.4461 0.3821-0.0000 ( 1412 PWs) bands (ev): -13.3508 -13.3508 -13.0134 -13.0134 -1.3072 -1.3072 -0.6984 -0.6984 0.2111 0.2111 1.4544 1.4544 2.1518 2.1518 2.4418 2.4418 5.0984 5.0984 5.5555 5.5555 5.7074 5.7074 6.3607 6.3607 6.8358 6.8358 11.9566 11.9566 13.4734 13.4734 14.4238 14.4238 k = 0.4412 0.3906-0.0000 ( 1418 PWs) bands (ev): -13.3452 -13.3452 -13.0151 -13.0151 -1.3001 -1.3001 -0.7028 -0.7028 0.2274 0.2274 1.4430 1.4430 2.1052 2.1052 2.4572 2.4572 5.1179 5.1179 5.5531 5.5531 5.7053 5.7053 6.3584 6.3584 6.8058 6.8058 12.0024 12.0024 13.4752 13.4752 14.4478 14.4478 k = 0.4363 0.3991-0.0000 ( 1422 PWs) bands (ev): -13.3393 -13.3393 -13.0169 -13.0169 -1.2925 -1.2925 -0.7077 -0.7077 0.2449 0.2449 1.4314 1.4314 2.0568 2.0568 2.4730 2.4730 5.1374 5.1374 5.5507 5.5507 5.7032 5.7032 6.3559 6.3559 6.7750 6.7750 12.0505 12.0505 13.4765 13.4765 14.4730 14.4730 k = 0.4314 0.4075-0.0000 ( 1422 PWs) bands (ev): -13.3328 -13.3328 -13.0190 -13.0190 -1.2841 -1.2841 -0.7132 -0.7132 0.2636 0.2636 1.4197 1.4197 2.0068 2.0068 2.4889 2.4889 5.1568 5.1568 5.5481 5.5481 5.7010 5.7010 6.3535 6.3535 6.7438 6.7438 12.1005 12.1005 13.4771 13.4771 14.4993 14.4993 k = 0.4265 0.4160-0.0000 ( 1422 PWs) bands (ev): -13.3260 -13.3260 -13.0214 -13.0214 -1.2752 -1.2752 -0.7191 -0.7191 0.2834 0.2834 1.4080 1.4080 1.9557 1.9557 2.5047 2.5047 5.1759 5.1759 5.5454 5.5454 5.6987 5.6987 6.3511 6.3511 6.7124 6.7124 12.1521 12.1521 13.4769 13.4769 14.5263 14.5263 k = 0.4216 0.4245-0.0000 ( 1422 PWs) bands (ev): -13.3188 -13.3188 -13.0240 -13.0240 -1.2656 -1.2656 -0.7257 -0.7257 0.3042 0.3042 1.3964 1.3964 1.9037 1.9037 2.5204 2.5204 5.1945 5.1945 5.5425 5.5425 5.6964 5.6964 6.3487 6.3487 6.6812 6.6812 12.2050 12.2050 13.4758 13.4758 14.5537 14.5537 k = 0.4167 0.4330-0.0000 ( 1422 PWs) bands (ev): -13.3112 -13.3112 -13.0269 -13.0269 -1.2553 -1.2553 -0.7329 -0.7329 0.3259 0.3259 1.3849 1.3849 1.8513 1.8513 2.5357 2.5357 5.2125 5.2125 5.5395 5.5395 5.6941 5.6941 6.3464 6.3464 6.6504 6.6504 12.2589 12.2589 13.4737 13.4737 14.5813 14.5813 k = 0.4118 0.4415-0.0000 ( 1428 PWs) bands (ev): -13.3032 -13.3032 -13.0301 -13.0301 -1.2445 -1.2445 -0.7408 -0.7408 0.3485 0.3485 1.3737 1.3737 1.7988 1.7988 2.5505 2.5505 5.2296 5.2296 5.5363 5.5363 5.6917 5.6917 6.3442 6.3442 6.6203 6.6203 12.3134 12.3134 13.4703 13.4703 14.6088 14.6088 k = 0.4069 0.4500-0.0000 ( 1424 PWs) bands (ev): -13.2949 -13.2949 -13.0337 -13.0337 -1.2329 -1.2329 -0.7493 -0.7493 0.3718 0.3718 1.3627 1.3627 1.7465 1.7465 2.5648 2.5648 5.2460 5.2460 5.5331 5.5331 5.6894 5.6894 6.3421 6.3421 6.5912 6.5912 12.3685 12.3685 13.4655 13.4655 14.6360 14.6360 k = 0.4020 0.4585-0.0000 ( 1424 PWs) bands (ev): -13.2862 -13.2862 -13.0376 -13.0376 -1.2207 -1.2207 -0.7586 -0.7586 0.3958 0.3958 1.3521 1.3521 1.6948 1.6948 2.5783 2.5783 5.2613 5.2613 5.5298 5.5298 5.6871 5.6871 6.3401 6.3401 6.5632 6.5632 12.4238 12.4238 13.4593 13.4593 14.6625 14.6625 k = 0.3971 0.4670-0.0000 ( 1432 PWs) bands (ev): -13.2772 -13.2772 -13.0419 -13.0419 -1.2079 -1.2079 -0.7686 -0.7686 0.4201 0.4201 1.3419 1.3419 1.6439 1.6439 2.5911 2.5911 5.2756 5.2756 5.5263 5.5263 5.6847 5.6847 6.3382 6.3382 6.5367 6.5367 12.4790 12.4790 13.4513 13.4513 14.6879 14.6879 k = 0.3922 0.4755-0.0000 ( 1432 PWs) bands (ev): -13.2680 -13.2680 -13.0465 -13.0465 -1.1944 -1.1944 -0.7794 -0.7794 0.4448 0.4448 1.3320 1.3320 1.5944 1.5944 2.6030 2.6030 5.2888 5.2888 5.5230 5.5230 5.6824 5.6824 6.3364 6.3364 6.5118 6.5118 12.5341 12.5341 13.4415 13.4415 14.7123 14.7123 k = 0.3873 0.4840-0.0000 ( 1430 PWs) bands (ev): -13.2584 -13.2584 -13.0516 -13.0516 -1.1801 -1.1801 -0.7909 -0.7909 0.4696 0.4696 1.3227 1.3227 1.5464 1.5464 2.6139 2.6139 5.3010 5.3010 5.5197 5.5197 5.6803 5.6803 6.3348 6.3348 6.4886 6.4886 12.5889 12.5889 13.4298 13.4298 14.7351 14.7351 k = 0.3824 0.4924-0.0000 ( 1436 PWs) bands (ev): -13.2486 -13.2486 -13.0572 -13.0572 -1.1653 -1.1653 -0.8033 -0.8033 0.4941 0.4941 1.3138 1.3138 1.5004 1.5004 2.6238 2.6238 5.3120 5.3120 5.5163 5.5163 5.6781 5.6781 6.3332 6.3332 6.4674 6.4674 12.6430 12.6430 13.4159 13.4159 14.7562 14.7562 k = 0.3775 0.5009-0.0000 ( 1432 PWs) bands (ev): -13.2386 -13.2386 -13.0632 -13.0632 -1.1497 -1.1497 -0.8165 -0.8165 0.5183 0.5183 1.3054 1.3054 1.4568 1.4568 2.6327 2.6327 5.3220 5.3220 5.5131 5.5131 5.6761 5.6761 6.3317 6.3317 6.4483 6.4483 12.6965 12.6965 13.3996 13.3996 14.7754 14.7754 k = 0.3725 0.5094-0.0000 ( 1432 PWs) bands (ev): -13.2283 -13.2283 -13.0696 -13.0696 -1.1334 -1.1334 -0.8306 -0.8306 0.5416 0.5416 1.2975 1.2975 1.4160 1.4160 2.6405 2.6405 5.3309 5.3309 5.5100 5.5100 5.6742 5.6742 6.3302 6.3302 6.4313 6.4313 12.7492 12.7492 13.3810 13.3810 14.7925 14.7925 k = 0.3676 0.5179-0.0000 ( 1432 PWs) bands (ev): -13.2179 -13.2179 -13.0766 -13.0766 -1.1164 -1.1164 -0.8456 -0.8456 0.5637 0.5637 1.2902 1.2902 1.3787 1.3787 2.6473 2.6473 5.3387 5.3387 5.5071 5.5071 5.6725 5.6725 6.3285 6.3285 6.4167 6.4167 12.8010 12.8010 13.3597 13.3597 14.8074 14.8074 k = 0.3627 0.5264-0.0000 ( 1444 PWs) bands (ev): -13.2073 -13.2073 -13.0841 -13.0841 -1.0987 -1.0987 -0.8616 -0.8616 0.5841 0.5841 1.2834 1.2834 1.3451 1.3451 2.6529 2.6529 5.3455 5.3455 5.5042 5.5042 5.6707 5.6707 6.3266 6.3266 6.4045 6.4045 12.8517 12.8517 13.3357 13.3357 14.8199 14.8199 k = 0.3578 0.5349-0.0000 ( 1436 PWs) bands (ev): -13.1964 -13.1964 -13.0921 -13.0921 -1.0803 -1.0803 -0.8784 -0.8784 0.6024 0.6024 1.2772 1.2772 1.3162 1.3162 2.6576 2.6576 5.3514 5.3514 5.5018 5.5018 5.6694 5.6694 6.3246 6.3246 6.3948 6.3948 12.9014 12.9014 13.3090 13.3090 14.8303 14.8303 k = 0.3529 0.5434-0.0000 ( 1440 PWs) bands (ev): -13.1855 -13.1855 -13.1007 -13.1007 -1.0612 -1.0612 -0.8963 -0.8963 0.6180 0.6180 1.2715 1.2715 1.2923 1.2923 2.6612 2.6612 5.3561 5.3561 5.4996 5.4996 5.6682 5.6682 6.3224 6.3224 6.3874 6.3874 12.9499 12.9499 13.2794 13.2794 14.8383 14.8383 k = 0.3480 0.5519-0.0000 ( 1440 PWs) bands (ev): -13.1745 -13.1745 -13.1099 -13.1099 -1.0414 -1.0414 -0.9151 -0.9151 0.6305 0.6305 1.2662 1.2662 1.2742 1.2742 2.6639 2.6639 5.3598 5.3598 5.4978 5.4978 5.6673 5.6673 6.3203 6.3203 6.3822 6.3822 12.9971 12.9971 13.2469 13.2469 14.8442 14.8442 k = 0.3431 0.5604-0.0000 ( 1444 PWs) bands (ev): -13.1634 -13.1634 -13.1196 -13.1196 -1.0209 -1.0209 -0.9349 -0.9349 0.6394 0.6394 1.2599 1.2599 1.2637 1.2637 2.6657 2.6657 5.3624 5.3624 5.4964 5.4964 5.6666 5.6666 6.3184 6.3184 6.3788 6.3788 13.0431 13.0431 13.2115 13.2115 14.8482 14.8482 k = 0.3382 0.5689-0.0000 ( 1444 PWs) bands (ev): -13.1522 -13.1522 -13.1299 -13.1299 -0.9996 -0.9996 -0.9557 -0.9557 0.6447 0.6447 1.2543 1.2543 1.2592 1.2592 2.6667 2.6667 5.3640 5.3640 5.4956 5.4956 5.6661 5.6661 6.3172 6.3172 6.3770 6.3770 13.0876 13.0876 13.1733 13.1733 14.8504 14.8504 k = 0.3333 0.5774-0.0000 ( 1440 PWs) bands (ev): -13.1418 -13.1418 -13.1400 -13.1400 -0.9785 -0.9785 -0.9766 -0.9766 0.6464 0.6464 1.2533 1.2533 1.2570 1.2570 2.6670 2.6670 5.3646 5.3646 5.4953 5.4953 5.6660 5.6660 6.3168 6.3168 6.3765 6.3765 13.1254 13.1254 13.1377 13.1377 14.8511 14.8511 k = 0.3333 0.5774-0.0000 ( 1440 PWs) bands (ev): -13.1418 -13.1418 -13.1400 -13.1400 -0.9785 -0.9785 -0.9766 -0.9766 0.6464 0.6464 1.2533 1.2533 1.2570 1.2570 2.6670 2.6670 5.3646 5.3646 5.4953 5.4953 5.6660 5.6660 6.3168 6.3168 6.3765 6.3765 13.1254 13.1254 13.1377 13.1377 14.8511 14.8511 k = 0.3284 0.5687-0.0000 ( 1444 PWs) bands (ev): -13.1527 -13.1527 -13.1294 -13.1294 -1.0008 -1.0008 -0.9545 -0.9545 0.6448 0.6448 1.2521 1.2521 1.2614 1.2614 2.6667 2.6667 5.3640 5.3640 5.4956 5.4956 5.6661 5.6661 6.3172 6.3172 6.3769 6.3769 13.0861 13.0861 13.1747 13.1747 14.8505 14.8505 k = 0.3234 0.5601-0.0000 ( 1440 PWs) bands (ev): -13.1651 -13.1651 -13.1180 -13.1180 -1.0252 -1.0252 -0.9306 -0.9306 0.6405 0.6405 1.2503 1.2503 1.2725 1.2725 2.6659 2.6659 5.3625 5.3625 5.4965 5.4965 5.6666 5.6666 6.3188 6.3188 6.3784 6.3784 13.0385 13.0385 13.2160 13.2160 14.8488 14.8488 k = 0.3184 0.5515-0.0000 ( 1440 PWs) bands (ev): -13.1781 -13.1781 -13.1066 -13.1066 -1.0506 -1.0506 -0.9060 -0.9060 0.6344 0.6344 1.2489 1.2489 1.2883 1.2883 2.6648 2.6648 5.3598 5.3598 5.4981 5.4981 5.6673 5.6673 6.3214 6.3214 6.3807 6.3807 12.9878 12.9878 13.2560 13.2560 14.8462 14.8462 k = 0.3134 0.5429-0.0000 ( 1444 PWs) bands (ev): -13.1918 -13.1918 -13.0952 -13.0952 -1.0772 -1.0772 -0.8806 -0.8806 0.6270 0.6270 1.2481 1.2481 1.3080 1.3080 2.6633 2.6633 5.3562 5.3562 5.5003 5.5003 5.6682 5.6682 6.3247 6.3247 6.3837 6.3837 12.9342 12.9342 13.2947 13.2947 14.8429 14.8429 k = 0.3085 0.5343-0.0000 ( 1440 PWs) bands (ev): -13.2062 -13.2062 -13.0839 -13.0839 -1.1050 -1.1050 -0.8545 -0.8545 0.6193 0.6193 1.2479 1.2479 1.3309 1.3309 2.6617 2.6617 5.3519 5.3519 5.5030 5.5030 5.6694 5.6694 6.3289 6.3289 6.3878 6.3878 12.8779 12.8779 13.3322 13.3322 14.8392 14.8392 k = 0.3035 0.5256-0.0000 ( 1436 PWs) bands (ev): -13.2213 -13.2213 -13.0726 -13.0726 -1.1338 -1.1338 -0.8276 -0.8276 0.6119 0.6119 1.2484 1.2484 1.3562 1.3562 2.6601 2.6601 5.3468 5.3468 5.5063 5.5063 5.6707 5.6707 6.3336 6.3336 6.3929 6.3929 12.8189 12.8189 13.3684 13.3684 14.8352 14.8352 k = 0.2985 0.5170-0.0000 ( 1440 PWs) bands (ev): -13.2369 -13.2369 -13.0615 -13.0615 -1.1639 -1.1639 -0.8000 -0.8000 0.6053 0.6053 1.2495 1.2495 1.3834 1.3834 2.6586 2.6586 5.3411 5.3411 5.5098 5.5098 5.6721 5.6721 6.3386 6.3386 6.3990 6.3990 12.7573 12.7573 13.4033 13.4033 14.8311 14.8311 k = 0.2935 0.5084-0.0000 ( 1436 PWs) bands (ev): -13.2533 -13.2533 -13.0505 -13.0505 -1.1950 -1.1950 -0.7716 -0.7716 0.6001 0.6001 1.2512 1.2512 1.4119 1.4119 2.6573 2.6573 5.3349 5.3349 5.5137 5.5137 5.6738 5.6738 6.3436 6.3436 6.4066 6.4066 12.6931 12.6931 13.4370 13.4370 14.8271 14.8271 k = 0.2886 0.4998-0.0000 ( 1440 PWs) bands (ev): -13.2703 -13.2703 -13.0396 -13.0396 -1.2273 -1.2273 -0.7426 -0.7426 0.5965 0.5965 1.2535 1.2535 1.4414 1.4414 2.6564 2.6564 5.3282 5.3282 5.5178 5.5178 5.6754 5.6754 6.3484 6.3484 6.4154 6.4154 12.6265 12.6265 13.4693 13.4693 14.8233 14.8233 k = 0.2836 0.4912-0.0000 ( 1438 PWs) bands (ev): -13.2879 -13.2879 -13.0289 -13.0289 -1.2608 -1.2608 -0.7127 -0.7127 0.5951 0.5951 1.2565 1.2565 1.4715 1.4715 2.6559 2.6559 5.3214 5.3214 5.5221 5.5221 5.6771 5.6771 6.3529 6.3529 6.4257 6.4257 12.5576 12.5576 13.5005 13.5005 14.8200 14.8200 k = 0.2786 0.4826-0.0000 ( 1438 PWs) bands (ev): -13.3061 -13.3061 -13.0184 -13.0184 -1.2953 -1.2953 -0.6822 -0.6822 0.5959 0.5959 1.2602 1.2602 1.5019 1.5019 2.6559 2.6559 5.3143 5.3143 5.5264 5.5264 5.6788 5.6788 6.3573 6.3573 6.4372 6.4372 12.4863 12.4863 13.5303 13.5303 14.8173 14.8173 k = 0.2736 0.4739-0.0000 ( 1440 PWs) bands (ev): -13.3250 -13.3250 -13.0080 -13.0080 -1.3309 -1.3309 -0.6511 -0.6511 0.5993 0.5993 1.2646 1.2646 1.5323 1.5323 2.6565 2.6565 5.3071 5.3071 5.5307 5.5307 5.6805 5.6805 6.3614 6.3614 6.4498 6.4498 12.4129 12.4129 13.5590 13.5590 14.8153 14.8153 k = 0.2687 0.4653-0.0000 ( 1440 PWs) bands (ev): -13.3444 -13.3444 -12.9979 -12.9979 -1.3676 -1.3676 -0.6192 -0.6192 0.6054 0.6054 1.2696 1.2696 1.5626 1.5626 2.6579 2.6579 5.3000 5.3000 5.5349 5.5349 5.6823 5.6823 6.3653 6.3653 6.4633 6.4633 12.3373 12.3373 13.5862 13.5862 14.8144 14.8144 k = 0.2637 0.4567-0.0000 ( 1440 PWs) bands (ev): -13.3644 -13.3644 -12.9880 -12.9880 -1.4053 -1.4053 -0.5867 -0.5867 0.6144 0.6144 1.2754 1.2754 1.5925 1.5925 2.6601 2.6601 5.2929 5.2929 5.5388 5.5388 5.6839 5.6839 6.3693 6.3693 6.4775 6.4775 12.2596 12.2596 13.6122 13.6122 14.8145 14.8145 k = 0.2587 0.4481-0.0000 ( 1440 PWs) bands (ev): -13.3850 -13.3850 -12.9783 -12.9783 -1.4439 -1.4439 -0.5535 -0.5535 0.6262 0.6262 1.2819 1.2819 1.6218 1.6218 2.6631 2.6631 5.2860 5.2860 5.5425 5.5425 5.6856 5.6856 6.3734 6.3734 6.4922 6.4922 12.1799 12.1799 13.6366 13.6366 14.8159 14.8159 k = 0.2537 0.4395-0.0000 ( 1442 PWs) bands (ev): -13.4060 -13.4060 -12.9689 -12.9689 -1.4835 -1.4835 -0.5198 -0.5198 0.6412 0.6412 1.2891 1.2891 1.6505 1.6505 2.6670 2.6670 5.2792 5.2792 5.5457 5.5457 5.6871 5.6871 6.3776 6.3776 6.5073 6.5073 12.0983 12.0983 13.6596 13.6596 14.8186 14.8186 k = 0.2488 0.4309-0.0000 ( 1440 PWs) bands (ev): -13.4276 -13.4276 -12.9598 -12.9598 -1.5239 -1.5239 -0.4854 -0.4854 0.6592 0.6592 1.2970 1.2970 1.6785 1.6785 2.6720 2.6720 5.2727 5.2727 5.5485 5.5485 5.6886 5.6886 6.3822 6.3822 6.5226 6.5226 12.0149 12.0149 13.6809 13.6809 14.8229 14.8229 k = 0.2438 0.4222-0.0000 ( 1440 PWs) bands (ev): -13.4496 -13.4496 -12.9509 -12.9509 -1.5652 -1.5652 -0.4506 -0.4506 0.6803 0.6803 1.3057 1.3057 1.7055 1.7055 2.6779 2.6779 5.2665 5.2665 5.5508 5.5508 5.6899 5.6899 6.3871 6.3871 6.5379 6.5379 11.9297 11.9297 13.7004 13.7004 14.8287 14.8287 k = 0.2388 0.4136-0.0000 ( 1438 PWs) bands (ev): -13.4721 -13.4721 -12.9423 -12.9423 -1.6071 -1.6071 -0.4151 -0.4151 0.7046 0.7046 1.3152 1.3152 1.7315 1.7315 2.6849 2.6849 5.2607 5.2607 5.5526 5.5526 5.6910 5.6910 6.3924 6.3924 6.5532 6.5532 11.8427 11.8427 13.7180 13.7180 14.8363 14.8363 k = 0.2338 0.4050-0.0000 ( 1442 PWs) bands (ev): -13.4949 -13.4949 -12.9340 -12.9340 -1.6497 -1.6497 -0.3793 -0.3793 0.7321 0.7321 1.3254 1.3254 1.7564 1.7564 2.6930 2.6930 5.2551 5.2551 5.5537 5.5537 5.6918 5.6918 6.3983 6.3983 6.5680 6.5680 11.7541 11.7541 13.7335 13.7335 14.8455 14.8455 k = 0.2289 0.3964-0.0000 ( 1446 PWs) bands (ev): -13.5182 -13.5182 -12.9261 -12.9261 -1.6930 -1.6930 -0.3429 -0.3429 0.7627 0.7627 1.3364 1.3364 1.7802 1.7802 2.7021 2.7021 5.2500 5.2500 5.5542 5.5542 5.6923 5.6923 6.4047 6.4047 6.5826 6.5826 11.6640 11.6640 13.7465 13.7465 14.8564 14.8564 k = 0.2239 0.3878-0.0000 ( 1455 PWs) bands (ev): -13.5417 -13.5417 -12.9184 -12.9184 -1.7367 -1.7367 -0.3062 -0.3062 0.7964 0.7964 1.3481 1.3481 1.8028 1.8028 2.7124 2.7124 5.2452 5.2452 5.5540 5.5540 5.6923 5.6923 6.4118 6.4118 6.5966 6.5966 11.5723 11.5723 13.7570 13.7570 14.8691 14.8691 k = 0.2189 0.3792-0.0000 ( 1455 PWs) bands (ev): -13.5656 -13.5656 -12.9110 -12.9110 -1.7808 -1.7808 -0.2691 -0.2691 0.8333 0.8333 1.3607 1.3607 1.8241 1.8241 2.7239 2.7239 5.2410 5.2410 5.5532 5.5532 5.6920 5.6920 6.4197 6.4197 6.6103 6.6103 11.4792 11.4792 13.7647 13.7647 14.8836 14.8836 k = 0.2139 0.3705-0.0000 ( 1455 PWs) bands (ev): -13.5897 -13.5897 -12.9040 -12.9040 -1.8253 -1.8253 -0.2317 -0.2317 0.8733 0.8733 1.3740 1.3740 1.8442 1.8442 2.7365 2.7365 5.2372 5.2372 5.5518 5.5518 5.6912 5.6912 6.4283 6.4283 6.6234 6.6234 11.3848 11.3848 13.7692 13.7692 14.8998 14.8998 k = 0.2090 0.3619-0.0000 ( 1457 PWs) bands (ev): -13.6140 -13.6140 -12.8972 -12.8972 -1.8701 -1.8701 -0.1940 -0.1940 0.9163 0.9163 1.3881 1.3881 1.8629 1.8629 2.7503 2.7503 5.2339 5.2339 5.5498 5.5498 5.6897 5.6897 6.4376 6.4376 6.6358 6.6358 11.2891 11.2891 13.7702 13.7702 14.9176 14.9176 k = 0.2040 0.3533-0.0000 ( 1457 PWs) bands (ev): -13.6385 -13.6385 -12.8908 -12.8908 -1.9150 -1.9150 -0.1561 -0.1561 0.9623 0.9623 1.4030 1.4030 1.8803 1.8803 2.7652 2.7652 5.2310 5.2310 5.5472 5.5472 5.6876 5.6876 6.4477 6.4477 6.6476 6.6476 11.1923 11.1923 13.7675 13.7675 14.9369 14.9369 k = 0.1990 0.3447-0.0000 ( 1461 PWs) bands (ev): -13.6631 -13.6631 -12.8847 -12.8847 -1.9600 -1.9600 -0.1180 -0.1180 1.0113 1.0113 1.4185 1.4185 1.8964 1.8964 2.7812 2.7812 5.2285 5.2285 5.5440 5.5440 5.6848 5.6848 6.4586 6.4586 6.6586 6.6586 11.0942 11.0942 13.7608 13.7608 14.9578 14.9578 k = 0.1940 0.3361-0.0000 ( 1455 PWs) bands (ev): -13.6878 -13.6878 -12.8790 -12.8790 -2.0051 -2.0051 -0.0797 -0.0797 1.0631 1.0631 1.4348 1.4348 1.9112 1.9112 2.7985 2.7985 5.2265 5.2265 5.5403 5.5403 5.6813 5.6813 6.4703 6.4703 6.6689 6.6689 10.9951 10.9951 13.7499 13.7499 14.9800 14.9800 k = 0.1891 0.3275-0.0000 ( 1455 PWs) bands (ev): -13.7126 -13.7126 -12.8735 -12.8735 -2.0500 -2.0500 -0.0414 -0.0414 1.1178 1.1178 1.4517 1.4517 1.9247 1.9247 2.8168 2.8168 5.2249 5.2249 5.5360 5.5360 5.6771 5.6771 6.4827 6.4827 6.6785 6.6785 10.8950 10.8950 13.7345 13.7345 15.0034 15.0034 k = 0.1841 0.3188-0.0000 ( 1455 PWs) bands (ev): -13.7374 -13.7374 -12.8684 -12.8684 -2.0948 -2.0948 -0.0030 -0.0030 1.1752 1.1752 1.4693 1.4693 1.9369 1.9369 2.8363 2.8363 5.2237 5.2237 5.5312 5.5312 5.6722 5.6722 6.4958 6.4958 6.6874 6.6874 10.7940 10.7940 13.7143 13.7143 15.0280 15.0280 k = 0.1791 0.3102-0.0000 ( 1451 PWs) bands (ev): -13.7621 -13.7621 -12.8635 -12.8635 -2.1394 -2.1394 0.0354 0.0354 1.2352 1.2352 1.4874 1.4874 1.9478 1.9478 2.8569 2.8569 5.2229 5.2229 5.5260 5.5260 5.6665 5.6665 6.5095 6.5095 6.6956 6.6956 10.6922 10.6922 13.6894 13.6894 15.0535 15.0535 k = 0.1741 0.3016-0.0000 ( 1453 PWs) bands (ev): -13.7867 -13.7867 -12.8590 -12.8590 -2.1837 -2.1837 0.0737 0.0737 1.2977 1.2977 1.5059 1.5059 1.9575 1.9575 2.8785 2.8785 5.2224 5.2224 5.5202 5.5202 5.6601 5.6601 6.5238 6.5238 6.7031 6.7031 10.5895 10.5895 13.6595 13.6595 15.0798 15.0798 k = 0.1692 0.2930-0.0000 ( 1453 PWs) bands (ev): -13.8113 -13.8113 -12.8548 -12.8548 -2.2276 -2.2276 0.1119 0.1119 1.3628 1.3628 1.5250 1.5250 1.9660 1.9660 2.9012 2.9012 5.2223 5.2223 5.5139 5.5139 5.6530 5.6530 6.5385 6.5385 6.7101 6.7101 10.4862 10.4862 13.6247 13.6247 15.1068 15.1068 k = 0.1642 0.2844-0.0000 ( 1453 PWs) bands (ev): -13.8356 -13.8356 -12.8508 -12.8508 -2.2710 -2.2710 0.1499 0.1499 1.4301 1.4301 1.5444 1.5444 1.9734 1.9734 2.9250 2.9250 5.2224 5.2224 5.5072 5.5072 5.6452 5.6452 6.5536 6.5536 6.7164 6.7164 10.3822 10.3822 13.5851 13.5851 15.1342 15.1342 k = 0.1592 0.2757-0.0000 ( 1445 PWs) bands (ev): -13.8598 -13.8598 -12.8472 -12.8472 -2.3139 -2.3139 0.1878 0.1878 1.4997 1.4997 1.5643 1.5643 1.9797 1.9797 2.9498 2.9498 5.2228 5.2228 5.5002 5.5002 5.6370 5.6370 6.5692 6.5692 6.7224 6.7224 10.2778 10.2778 13.5408 13.5408 15.1619 15.1619 k = 0.1542 0.2671-0.0000 ( 1451 PWs) bands (ev): -13.8837 -13.8837 -12.8438 -12.8438 -2.3562 -2.3562 0.2253 0.2253 1.5703 1.5703 1.5854 1.5854 1.9849 1.9849 2.9754 2.9754 5.2234 5.2234 5.4927 5.4927 5.6279 5.6279 6.5848 6.5848 6.7278 6.7278 10.1728 10.1728 13.4919 13.4919 15.1897 15.1897 k = 0.1493 0.2585-0.0000 ( 1459 PWs) bands (ev): -13.9073 -13.9073 -12.8407 -12.8407 -2.3979 -2.3979 0.2625 0.2625 1.6033 1.6033 1.6462 1.6462 1.9892 1.9892 3.0020 3.0020 5.2242 5.2242 5.4846 5.4846 5.6185 5.6185 6.6006 6.6006 6.7328 6.7328 10.0675 10.0675 13.4388 13.4388 15.2176 15.2176 k = 0.1443 0.2499-0.0000 ( 1455 PWs) bands (ev): -13.9305 -13.9305 -12.8379 -12.8379 -2.4388 -2.4388 0.2994 0.2994 1.6236 1.6236 1.7217 1.7217 1.9926 1.9926 3.0294 3.0294 5.2252 5.2252 5.4764 5.4764 5.6086 5.6086 6.6166 6.6166 6.7378 6.7378 9.9619 9.9619 13.3817 13.3817 15.2452 15.2452 k = 0.1393 0.2413-0.0000 ( 1451 PWs) bands (ev): -13.9534 -13.9534 -12.8353 -12.8353 -2.4789 -2.4789 0.3360 0.3360 1.6437 1.6437 1.7991 1.7991 1.9953 1.9953 3.0576 3.0576 5.2263 5.2263 5.4679 5.4679 5.5984 5.5984 6.6324 6.6324 6.7425 6.7425 9.8562 9.8562 13.3210 13.3210 15.2726 15.2726 k = 0.1343 0.2327-0.0000 ( 1459 PWs) bands (ev): -13.9759 -13.9759 -12.8329 -12.8329 -2.5181 -2.5181 0.3719 0.3719 1.6636 1.6636 1.8778 1.8778 1.9975 1.9975 3.0865 3.0865 5.2273 5.2273 5.4589 5.4589 5.5877 5.5877 6.6481 6.6481 6.7471 6.7471 9.7505 9.7505 13.2572 13.2572 15.2996 15.2996 k = 0.1294 0.2240-0.0000 ( 1455 PWs) bands (ev): -13.9978 -13.9978 -12.8308 -12.8308 -2.5564 -2.5564 0.4075 0.4075 1.6832 1.6832 1.9557 1.9557 2.0013 2.0013 3.1162 3.1162 5.2285 5.2285 5.4498 5.4498 5.5768 5.5768 6.6635 6.6635 6.7519 6.7519 9.6449 9.6449 13.1905 13.1905 15.3260 15.3260 k = 0.1244 0.2154-0.0000 ( 1451 PWs) bands (ev): -14.0193 -14.0193 -12.8288 -12.8288 -2.5937 -2.5937 0.4425 0.4425 1.7026 1.7026 1.9934 1.9934 2.0461 2.0461 3.1463 3.1463 5.2297 5.2297 5.4405 5.4405 5.5657 5.5657 6.6785 6.6785 6.7568 6.7568 9.5395 9.5395 13.1214 13.1214 15.3518 15.3518 k = 0.1194 0.2068-0.0000 ( 1455 PWs) bands (ev): -14.0403 -14.0403 -12.8271 -12.8271 -2.6300 -2.6300 0.4768 0.4768 1.7214 1.7214 1.9954 1.9954 2.1272 2.1272 3.1769 3.1769 5.2308 5.2308 5.4308 5.4308 5.5544 5.5544 6.6930 6.6930 6.7620 6.7620 9.4344 9.4344 13.0503 13.0503 15.3768 15.3768 k = 0.1144 0.1982-0.0000 ( 1459 PWs) bands (ev): -14.0607 -14.0607 -12.8256 -12.8256 -2.6652 -2.6652 0.5105 0.5105 1.7398 1.7398 1.9950 1.9950 2.2111 2.2111 3.2078 3.2078 5.2318 5.2318 5.4210 5.4210 5.5430 5.5430 6.7068 6.7068 6.7676 6.7676 9.3299 9.3299 12.9777 12.9777 15.4009 15.4009 k = 0.1095 0.1896-0.0000 ( 1459 PWs) bands (ev): -14.0805 -14.0805 -12.8242 -12.8242 -2.6993 -2.6993 0.5435 0.5435 1.7577 1.7577 1.9939 1.9939 2.2961 2.2961 3.2389 3.2389 5.2328 5.2328 5.4111 5.4111 5.5314 5.5314 6.7197 6.7197 6.7739 6.7739 9.2261 9.2261 12.9040 12.9040 15.4242 15.4242 k = 0.1045 0.1810-0.0000 ( 1463 PWs) bands (ev): -14.0997 -14.0997 -12.8230 -12.8230 -2.7321 -2.7321 0.5757 0.5757 1.7749 1.7749 1.9922 1.9922 2.3819 2.3819 3.2702 3.2702 5.2335 5.2335 5.4011 5.4011 5.5198 5.5198 6.7317 6.7317 6.7809 6.7809 9.1232 9.1232 12.8297 12.8297 15.4466 15.4466 k = 0.0995 0.1723-0.0000 ( 1467 PWs) bands (ev): -14.1182 -14.1182 -12.8220 -12.8220 -2.7638 -2.7638 0.6071 0.6071 1.7914 1.7914 1.9902 1.9902 2.4681 2.4681 3.3015 3.3015 5.2340 5.2340 5.3911 5.3911 5.5082 5.5082 6.7426 6.7426 6.7886 6.7886 9.0214 9.0214 12.7551 12.7551 15.4680 15.4680 k = 0.0945 0.1637-0.0000 ( 1467 PWs) bands (ev): -14.1360 -14.1360 -12.8211 -12.8211 -2.7942 -2.7942 0.6376 0.6376 1.8072 1.8072 1.9878 1.9878 2.5545 2.5545 3.3326 3.3326 5.2343 5.2343 5.3812 5.3812 5.4968 5.4968 6.7525 6.7525 6.7972 6.7972 8.9210 8.9210 12.6808 12.6808 15.4884 15.4884 k = 0.0896 0.1551-0.0000 ( 1463 PWs) bands (ev): -14.1531 -14.1531 -12.8203 -12.8203 -2.8232 -2.8232 0.6673 0.6673 1.8222 1.8222 1.9852 1.9852 2.6409 2.6409 3.3634 3.3634 5.2343 5.2343 5.3714 5.3714 5.4855 5.4855 6.7615 6.7615 6.8063 6.8063 8.8222 8.8222 12.6070 12.6070 15.5077 15.5077 k = 0.0846 0.1465-0.0000 ( 1463 PWs) bands (ev): -14.1694 -14.1694 -12.8197 -12.8197 -2.8509 -2.8509 0.6959 0.6959 1.8363 1.8363 1.9824 1.9824 2.7269 2.7269 3.3937 3.3937 5.2339 5.2339 5.3617 5.3617 5.4744 5.4744 6.7698 6.7698 6.8157 6.8157 8.7253 8.7253 12.5343 12.5343 15.5260 15.5260 k = 0.0796 0.1379-0.0000 ( 1463 PWs) bands (ev): -14.1849 -14.1849 -12.8191 -12.8191 -2.8772 -2.8772 0.7234 0.7234 1.8496 1.8496 1.9795 1.9795 2.8122 2.8122 3.4234 3.4234 5.2331 5.2331 5.3523 5.3523 5.4636 5.4636 6.7777 6.7777 6.8251 6.8251 8.6306 8.6306 12.4630 12.4630 15.5432 15.5432 k = 0.0746 0.1293-0.0000 ( 1461 PWs) bands (ev): -14.1996 -14.1996 -12.8186 -12.8186 -2.9020 -2.9020 0.7498 0.7498 1.8621 1.8621 1.9765 1.9765 2.8965 2.8965 3.4523 3.4523 5.2318 5.2318 5.3430 5.3430 5.4530 5.4530 6.7852 6.7852 6.8344 6.8344 8.5385 8.5385 12.3936 12.3936 15.5593 15.5593 k = 0.0697 0.1206-0.0000 ( 1461 PWs) bands (ev): -14.2135 -14.2135 -12.8183 -12.8183 -2.9255 -2.9255 0.7749 0.7749 1.8736 1.8736 1.9735 1.9735 2.9794 2.9794 3.4803 3.4803 5.2300 5.2300 5.3341 5.3341 5.4429 5.4429 6.7925 6.7925 6.8433 6.8433 8.4493 8.4493 12.3264 12.3264 15.5743 15.5743 k = 0.0647 0.1120-0.0000 ( 1461 PWs) bands (ev): -14.2265 -14.2265 -12.8180 -12.8180 -2.9474 -2.9474 0.7988 0.7988 1.8842 1.8842 1.9704 1.9704 3.0605 3.0605 3.5072 3.5072 5.2278 5.2278 5.3254 5.3254 5.4332 5.4332 6.7996 6.7996 6.8517 6.8517 8.3633 8.3633 12.2618 12.2618 15.5883 15.5883 k = 0.0597 0.1034-0.0000 ( 1459 PWs) bands (ev): -14.2386 -14.2386 -12.8177 -12.8177 -2.9678 -2.9678 0.8214 0.8214 1.8939 1.8939 1.9675 1.9675 3.1393 3.1393 3.5328 3.5328 5.2252 5.2252 5.3171 5.3171 5.4241 5.4241 6.8065 6.8065 6.8595 6.8595 8.2811 8.2811 12.2002 12.2002 15.6012 15.6012 k = 0.0547 0.0948-0.0000 ( 1459 PWs) bands (ev): -14.2499 -14.2499 -12.8176 -12.8176 -2.9867 -2.9867 0.8425 0.8425 1.9027 1.9027 1.9647 1.9647 3.2154 3.2154 3.5570 3.5570 5.2221 5.2221 5.3091 5.3091 5.4156 5.4156 6.8132 6.8132 6.8667 6.8667 8.2031 8.2031 12.1419 12.1419 15.6130 15.6130 k = 0.0498 0.0862-0.0000 ( 1463 PWs) bands (ev): -14.2602 -14.2602 -12.8174 -12.8174 -3.0040 -3.0040 0.8620 0.8620 1.9106 1.9106 1.9620 1.9620 3.2881 3.2881 3.5797 3.5797 5.2186 5.2186 5.3013 5.3013 5.4077 5.4077 6.8195 6.8195 6.8732 6.8732 8.1298 8.1298 12.0873 12.0873 15.6237 15.6237 k = 0.0448 0.0776-0.0000 ( 1463 PWs) bands (ev): -14.2696 -14.2696 -12.8173 -12.8173 -3.0197 -3.0197 0.8800 0.8800 1.9176 1.9176 1.9595 1.9595 3.3570 3.3570 3.6008 3.6008 5.2148 5.2148 5.2939 5.2939 5.4007 5.4007 6.8254 6.8254 6.8790 6.8790 8.0616 8.0616 12.0367 12.0367 15.6334 15.6334 k = 0.0398 0.0689-0.0000 ( 1463 PWs) bands (ev): -14.2781 -14.2781 -12.8173 -12.8173 -3.0338 -3.0338 0.8963 0.8963 1.9237 1.9237 1.9572 1.9572 3.4212 3.4212 3.6200 3.6200 5.2108 5.2108 5.2868 5.2868 5.3944 5.3944 6.8308 6.8308 6.8842 6.8842 7.9990 7.9990 11.9905 11.9905 15.6420 15.6420 k = 0.0348 0.0603-0.0000 ( 1459 PWs) bands (ev): -14.2855 -14.2855 -12.8172 -12.8172 -3.0463 -3.0463 0.9110 0.9110 1.9290 1.9290 1.9552 1.9552 3.4802 3.4802 3.6375 3.6375 5.2067 5.2067 5.2802 5.2802 5.3890 5.3890 6.8357 6.8357 6.8887 6.8887 7.9425 7.9425 11.9490 11.9490 15.6496 15.6496 k = 0.0299 0.0517-0.0000 ( 1463 PWs) bands (ev): -14.2921 -14.2921 -12.8172 -12.8172 -3.0572 -3.0572 0.9238 0.9238 1.9333 1.9333 1.9536 1.9536 3.5332 3.5332 3.6530 3.6530 5.2026 5.2026 5.2740 5.2740 5.3843 5.3843 6.8399 6.8399 6.8925 6.8925 7.8925 7.8925 11.9123 11.9123 15.6562 15.6562 k = 0.0249 0.0431-0.0000 ( 1467 PWs) bands (ev): -14.2976 -14.2976 -12.8172 -12.8172 -3.0664 -3.0664 0.9347 0.9347 1.9368 1.9368 1.9523 1.9523 3.5792 3.5792 3.6666 3.6666 5.1986 5.1986 5.2685 5.2685 5.3804 5.3804 6.8433 6.8433 6.8957 6.8957 7.8495 7.8495 11.8809 11.8809 15.6617 15.6617 k = 0.0199 0.0345-0.0000 ( 1467 PWs) bands (ev): -14.3021 -14.3021 -12.8172 -12.8172 -3.0739 -3.0739 0.9438 0.9438 1.9393 1.9393 1.9515 1.9515 3.6175 3.6175 3.6785 3.6785 5.1951 5.1951 5.2638 5.2638 5.3773 5.3773 6.8461 6.8461 6.8983 6.8983 7.8139 7.8139 11.8549 11.8549 15.6662 15.6662 k = 0.0149 0.0259-0.0000 ( 1465 PWs) bands (ev): -14.3056 -14.3056 -12.8172 -12.8172 -3.0798 -3.0798 0.9508 0.9508 1.9410 1.9410 1.9513 1.9513 3.6468 3.6468 3.6891 3.6891 5.1921 5.1921 5.2600 5.2600 5.3750 5.3750 6.8482 6.8482 6.9004 6.9004 7.7858 7.7858 11.8344 11.8344 15.6698 15.6698 k = 0.0100 0.0172-0.0000 ( 1467 PWs) bands (ev): -14.3082 -14.3082 -12.8172 -12.8172 -3.0840 -3.0840 0.9559 0.9559 1.9418 1.9418 1.9513 1.9513 3.6661 3.6661 3.6987 3.6987 5.1898 5.1898 5.2572 5.2572 5.3733 5.3733 6.8496 6.8496 6.9018 6.9018 7.7656 7.7656 11.8197 11.8197 15.6723 15.6723 k = 0.0050 0.0086-0.0000 ( 1459 PWs) bands (ev): -14.3097 -14.3097 -12.8172 -12.8172 -3.0865 -3.0865 0.9590 0.9590 1.9422 1.9422 1.9516 1.9516 3.6763 3.6763 3.7062 3.7062 5.1884 5.1884 5.2556 5.2556 5.3725 5.3725 6.8505 6.8505 6.9027 6.9027 7.7534 7.7534 11.8108 11.8108 15.6738 15.6738 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -14.3102 -14.3102 -12.8172 -12.8172 -3.0874 -3.0874 0.9601 0.9601 1.9423 1.9423 1.9517 1.9517 3.6793 3.6793 3.7091 3.7091 5.1879 5.1879 5.2550 5.2550 5.3721 5.3721 6.8508 6.8508 6.9030 6.9030 7.7494 7.7494 11.8079 11.8079 15.6743 15.6743 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -14.3102 -14.3102 -12.8172 -12.8172 -3.0874 -3.0874 0.9601 0.9601 1.9423 1.9423 1.9517 1.9517 3.6793 3.6793 3.7091 3.7091 5.1879 5.1879 5.2550 5.2550 5.3721 5.3721 6.8508 6.8508 6.9030 6.9030 7.7494 7.7494 11.8079 11.8079 15.6743 15.6743 k = 0.0000 0.0000 0.0099 ( 1459 PWs) bands (ev): -14.3096 -14.3096 -12.8181 -12.8181 -3.0855 -3.0855 0.9569 0.9569 1.9426 1.9426 1.9519 1.9519 3.6788 3.6788 3.7086 3.7086 5.1879 5.1879 5.2550 5.2550 5.3721 5.3721 6.8512 6.8512 6.9033 6.9033 7.7532 7.7532 11.8094 11.8094 15.6710 15.6710 k = 0.0000 0.0000 0.0199 ( 1471 PWs) bands (ev): -14.3078 -14.3078 -12.8208 -12.8208 -3.0801 -3.0801 0.9475 0.9475 1.9432 1.9432 1.9526 1.9526 3.6774 3.6774 3.7071 3.7071 5.1876 5.1876 5.2547 5.2547 5.3718 5.3718 6.8521 6.8521 6.9042 6.9042 7.7647 7.7647 11.8138 11.8138 15.6609 15.6609 k = 0.0000 0.0000 0.0298 ( 1471 PWs) bands (ev): -14.3048 -14.3048 -12.8254 -12.8254 -3.0710 -3.0710 0.9319 0.9319 1.9444 1.9444 1.9538 1.9538 3.6750 3.6750 3.7047 3.7047 5.1874 5.1874 5.2546 5.2546 5.3714 5.3714 6.8538 6.8538 6.9059 6.9059 7.7838 7.7838 11.8213 11.8213 15.6443 15.6443 k = 0.0000 0.0000 0.0398 ( 1465 PWs) bands (ev): -14.3005 -14.3005 -12.8317 -12.8317 -3.0582 -3.0582 0.9102 0.9102 1.9461 1.9461 1.9555 1.9555 3.6716 3.6716 3.7013 3.7013 5.1871 5.1871 5.2545 5.2545 5.3709 5.3709 6.8562 6.8562 6.9082 6.9082 7.8103 7.8103 11.8315 11.8315 15.6214 15.6214 k = 0.0000 0.0000 0.0497 ( 1465 PWs) bands (ev): -14.2951 -14.2951 -12.8397 -12.8397 -3.0418 -3.0418 0.8827 0.8827 1.9482 1.9482 1.9576 1.9576 3.6673 3.6673 3.6970 3.6970 5.1867 5.1867 5.2542 5.2542 5.3703 5.3703 6.8593 6.8593 6.9111 6.9111 7.8441 7.8441 11.8445 11.8445 15.5923 15.5923 k = 0.0000 0.0000 0.0596 ( 1453 PWs) bands (ev): -14.2885 -14.2885 -12.8495 -12.8495 -3.0219 -3.0219 0.8495 0.8495 1.9509 1.9509 1.9603 1.9603 3.6622 3.6622 3.6919 3.6919 5.1863 5.1863 5.2541 5.2541 5.3696 5.3696 6.8629 6.8629 6.9146 6.9146 7.8851 7.8851 11.8600 11.8600 15.5575 15.5575 k = 0.0000 0.0000 0.0696 ( 1453 PWs) bands (ev): -14.2807 -14.2807 -12.8609 -12.8609 -2.9984 -2.9984 0.8107 0.8107 1.9539 1.9539 1.9633 1.9633 3.6563 3.6563 3.6859 3.6859 5.1857 5.1857 5.2537 5.2537 5.3686 5.3686 6.8672 6.8672 6.9187 6.9187 7.9328 7.9328 11.8777 11.8777 15.5172 15.5172 k = 0.0000 0.0000 0.0795 ( 1453 PWs) bands (ev): -14.2718 -14.2718 -12.8740 -12.8740 -2.9715 -2.9715 0.7668 0.7668 1.9573 1.9573 1.9668 1.9668 3.6495 3.6495 3.6790 3.6790 5.1850 5.1850 5.2533 5.2533 5.3675 5.3675 6.8719 6.8719 6.9232 6.9232 7.9872 7.9872 11.8975 11.8975 15.4720 15.4720 k = 0.0000 0.0000 0.0895 ( 1453 PWs) bands (ev): -14.2617 -14.2617 -12.8887 -12.8887 -2.9411 -2.9411 0.7179 0.7179 1.9611 1.9611 1.9706 1.9706 3.6420 3.6420 3.6715 3.6715 5.1842 5.1842 5.2529 5.2529 5.3663 5.3663 6.8771 6.8771 6.9283 6.9283 8.0479 8.0479 11.9190 11.9190 15.4224 15.4224 k = 0.0000 0.0000 0.0994 ( 1453 PWs) bands (ev): -14.2505 -14.2505 -12.9048 -12.9048 -2.9074 -2.9074 0.6644 0.6644 1.9653 1.9653 1.9749 1.9749 3.6338 3.6338 3.6633 3.6633 5.1833 5.1833 5.2525 5.2525 5.3650 5.3650 6.8828 6.8828 6.9337 6.9337 8.1145 8.1145 11.9417 11.9417 15.3690 15.3690 k = 0.0000 0.0000 0.1094 ( 1453 PWs) bands (ev): -14.2383 -14.2383 -12.9224 -12.9224 -2.8704 -2.8704 0.6066 0.6066 1.9698 1.9698 1.9794 1.9794 3.6250 3.6250 3.6544 3.6544 5.1823 5.1823 5.2520 5.2520 5.3635 5.3635 6.8889 6.8889 6.9396 6.9396 8.1868 8.1868 11.9653 11.9653 15.3127 15.3127 k = 0.0000 0.0000 0.1193 ( 1465 PWs) bands (ev): -14.2249 -14.2249 -12.9414 -12.9414 -2.8302 -2.8302 0.5447 0.5447 1.9746 1.9746 1.9843 1.9843 3.6157 3.6157 3.6450 3.6450 5.1811 5.1811 5.2514 5.2514 5.3619 5.3619 6.8952 6.8952 6.9456 6.9456 8.2644 8.2644 11.9892 11.9892 15.2541 15.2541 k = 0.0000 0.0000 0.1292 ( 1465 PWs) bands (ev): -14.2105 -14.2105 -12.9617 -12.9617 -2.7869 -2.7869 0.4791 0.4791 1.9797 1.9797 1.9894 1.9894 3.6059 3.6059 3.6351 3.6351 5.1800 5.1800 5.2508 5.2508 5.3603 5.3603 6.9019 6.9019 6.9520 6.9520 8.3469 8.3469 12.0128 12.0128 15.1943 15.1943 k = 0.0000 0.0000 0.1392 ( 1465 PWs) bands (ev): -14.1952 -14.1952 -12.9831 -12.9831 -2.7405 -2.7405 0.4101 0.4101 1.9850 1.9850 1.9948 1.9948 3.5957 3.5957 3.6249 3.6249 5.1788 5.1788 5.2502 5.2502 5.3586 5.3586 6.9088 6.9088 6.9587 6.9587 8.4340 8.4340 12.0353 12.0353 15.1342 15.1342 k = 0.0000 0.0000 0.1491 ( 1465 PWs) bands (ev): -14.1788 -14.1788 -13.0057 -13.0057 -2.6911 -2.6911 0.3381 0.3381 1.9905 1.9905 2.0004 2.0004 3.5852 3.5852 3.6144 3.6144 5.1775 5.1775 5.2497 5.2497 5.3569 5.3569 6.9159 6.9159 6.9655 6.9655 8.5253 8.5253 12.0561 12.0561 15.0750 15.0750 k = 0.0000 0.0000 0.1591 ( 1465 PWs) bands (ev): -14.1615 -14.1615 -13.0292 -13.0292 -2.6388 -2.6388 0.2632 0.2632 1.9962 1.9962 2.0062 2.0062 3.5746 3.5746 3.6036 3.6036 5.1762 5.1762 5.2491 5.2491 5.3551 5.3551 6.9231 6.9231 6.9724 6.9724 8.6203 8.6203 12.0741 12.0741 15.0178 15.0178 k = 0.0000 0.0000 0.1690 ( 1465 PWs) bands (ev): -14.1434 -14.1434 -13.0537 -13.0537 -2.5838 -2.5838 0.1859 0.1859 2.0021 2.0021 2.0121 2.0121 3.5637 3.5637 3.5927 3.5927 5.1749 5.1749 5.2485 5.2485 5.3534 5.3534 6.9303 6.9303 6.9794 6.9794 8.7188 8.7188 12.0886 12.0886 14.9639 14.9639 k = 0.0000 0.0000 0.1789 ( 1465 PWs) bands (ev): -14.1245 -14.1245 -13.0790 -13.0790 -2.5261 -2.5261 0.1063 0.1063 2.0079 2.0079 2.0180 2.0180 3.5529 3.5529 3.5818 3.5818 5.1735 5.1735 5.2479 5.2479 5.3516 5.3516 6.9375 6.9375 6.9863 6.9863 8.8203 8.8203 12.0985 12.0985 14.9147 14.9147 k = 0.0000 0.0000 0.1889 ( 1459 PWs) bands (ev): -14.1048 -14.1048 -13.1049 -13.1049 -2.4658 -2.4658 0.0247 0.0247 2.0139 2.0139 2.0240 2.0240 3.5421 3.5421 3.5710 3.5710 5.1721 5.1721 5.2473 5.2473 5.3499 5.3499 6.9447 6.9447 6.9932 6.9932 8.9243 8.9243 12.1028 12.1028 14.8714 14.8714 k = 0.0000 0.0000 0.1988 ( 1459 PWs) bands (ev): -14.0844 -14.0844 -13.1314 -13.1314 -2.4030 -2.4030 -0.0586 -0.0586 2.0197 2.0197 2.0300 2.0300 3.5314 3.5314 3.5603 3.5603 5.1708 5.1708 5.2467 5.2467 5.3482 5.3482 6.9516 6.9516 6.9999 6.9999 9.0304 9.0304 12.1007 12.1007 14.8351 14.8351 k = 0.0000 0.0000 0.2088 ( 1447 PWs) bands (ev): -14.0634 -14.0634 -13.1582 -13.1582 -2.3379 -2.3379 -0.1433 -0.1433 2.0256 2.0256 2.0359 2.0359 3.5210 3.5210 3.5498 3.5498 5.1695 5.1695 5.2463 5.2463 5.3467 5.3467 6.9585 6.9585 7.0065 7.0065 9.1382 9.1382 12.0914 12.0914 14.8073 14.8073 k = 0.0000 0.0000 0.2187 ( 1447 PWs) bands (ev): -14.0420 -14.0420 -13.1853 -13.1853 -2.2706 -2.2706 -0.2293 -0.2293 2.0312 2.0312 2.0416 2.0416 3.5109 3.5109 3.5397 3.5397 5.1682 5.1682 5.2458 5.2458 5.3451 5.3451 6.9650 6.9650 7.0128 7.0128 9.2470 9.2470 12.0743 12.0743 14.7884 14.7884 k = 0.0000 0.0000 0.2287 ( 1453 PWs) bands (ev): -14.0203 -14.0203 -13.2125 -13.2125 -2.2011 -2.2011 -0.3162 -0.3162 2.0366 2.0366 2.0470 2.0470 3.5012 3.5012 3.5299 3.5299 5.1668 5.1668 5.2451 5.2451 5.3436 5.3436 6.9711 6.9711 7.0187 7.0187 9.3563 9.3563 12.0491 12.0491 14.7792 14.7792 k = 0.0000 0.0000 0.2386 ( 1453 PWs) bands (ev): -13.9984 -13.9984 -13.2396 -13.2396 -2.1297 -2.1297 -0.4039 -0.4039 2.0418 2.0418 2.0523 2.0523 3.4920 3.4920 3.5207 3.5207 5.1656 5.1656 5.2446 5.2446 5.3421 5.3421 6.9770 6.9770 7.0244 7.0244 9.4653 9.4653 12.0161 12.0161 14.7801 14.7801 k = 0.0000 0.0000 0.2485 ( 1453 PWs) bands (ev): -13.9765 -13.9765 -13.2662 -13.2662 -2.0565 -2.0565 -0.4921 -0.4921 2.0467 2.0467 2.0573 2.0573 3.4833 3.4833 3.5121 3.5121 5.1644 5.1644 5.2441 5.2441 5.3408 5.3408 6.9824 6.9824 7.0296 7.0296 9.5732 9.5732 11.9756 11.9756 14.7907 14.7907 k = 0.0000 0.0000 0.2585 ( 1453 PWs) bands (ev): -13.9548 -13.9548 -13.2922 -13.2922 -1.9816 -1.9816 -0.5806 -0.5806 2.0512 2.0512 2.0619 2.0619 3.4754 3.4754 3.5041 3.5041 5.1634 5.1634 5.2437 5.2437 5.3397 5.3397 6.9874 6.9874 7.0344 7.0344 9.6790 9.6790 11.9288 11.9288 14.8105 14.8105 k = 0.0000 0.0000 0.2684 ( 1447 PWs) bands (ev): -13.9337 -13.9337 -13.3173 -13.3173 -1.9052 -1.9052 -0.6690 -0.6690 2.0553 2.0553 2.0661 2.0661 3.4682 3.4682 3.4969 3.4969 5.1625 5.1625 5.2433 5.2433 5.3387 5.3387 6.9919 6.9919 7.0388 7.0388 9.7815 9.7815 11.8770 11.8770 14.8386 14.8386 k = 0.0000 0.0000 0.2784 ( 1435 PWs) bands (ev): -13.9135 -13.9135 -13.3409 -13.3409 -1.8277 -1.8277 -0.7571 -0.7571 2.0590 2.0590 2.0698 2.0698 3.4618 3.4618 3.4904 3.4904 5.1619 5.1619 5.2431 5.2431 5.3380 5.3380 6.9959 6.9959 7.0427 7.0427 9.8791 9.8791 11.8221 11.8221 14.8735 14.8735 k = 0.0000 0.0000 0.2883 ( 1435 PWs) bands (ev): -13.8948 -13.8948 -13.3627 -13.3627 -1.7494 -1.7494 -0.8445 -0.8445 2.0622 2.0622 2.0731 2.0731 3.4563 3.4563 3.4849 3.4849 5.1611 5.1611 5.2428 5.2428 5.3371 5.3371 6.9993 6.9993 7.0460 7.0460 9.9698 9.9698 11.7665 11.7665 14.9131 14.9131 k = 0.0000 0.0000 0.2982 ( 1435 PWs) bands (ev): -13.8779 -13.8779 -13.3820 -13.3820 -1.6709 -1.6709 -0.9304 -0.9304 2.0649 2.0649 2.0758 2.0758 3.4517 3.4517 3.4803 3.4803 5.1605 5.1605 5.2425 5.2425 5.3365 5.3365 7.0022 7.0022 7.0487 7.0487 10.0511 10.0511 11.7131 11.7131 14.9547 14.9547 k = 0.0000 0.0000 0.3082 ( 1436 PWs) bands (ev): -13.8637 -13.8637 -13.3982 -13.3982 -1.5935 -1.5935 -1.0136 -1.0136 2.0670 2.0670 2.0779 2.0779 3.4480 3.4480 3.4767 3.4767 5.1599 5.1599 5.2423 5.2423 5.3359 5.3359 7.0044 7.0044 7.0509 7.0509 10.1200 10.1200 11.6654 11.6654 14.9949 14.9949 k = 0.0000 0.0000 0.3181 ( 1424 PWs) bands (ev): -13.8529 -13.8529 -13.4104 -13.4104 -1.5200 -1.5200 -1.0912 -1.0912 2.0687 2.0687 2.0796 2.0796 3.4454 3.4454 3.4741 3.4741 5.1597 5.1597 5.2424 5.2424 5.3356 5.3356 7.0061 7.0061 7.0525 7.0525 10.1730 10.1730 11.6274 11.6274 15.0294 15.0294 k = 0.0000 0.0000 0.3281 ( 1430 PWs) bands (ev): -13.8460 -13.8460 -13.4181 -13.4181 -1.4587 -1.4587 -1.1551 -1.1551 2.0696 2.0696 2.0805 2.0805 3.4438 3.4438 3.4725 3.4725 5.1594 5.1594 5.2422 5.2422 5.3354 5.3354 7.0069 7.0069 7.0533 7.0533 10.2066 10.2066 11.6026 11.6026 15.0529 15.0529 k = 0.0000 0.0000 0.3380 ( 1424 PWs) bands (ev): -13.8436 -13.8436 -13.4208 -13.4208 -1.4313 -1.4313 -1.1833 -1.1833 2.0699 2.0699 2.0808 2.0808 3.4433 3.4433 3.4720 3.4720 5.1594 5.1594 5.2423 5.2423 5.3354 5.3354 7.0073 7.0073 7.0537 7.0537 10.2182 10.2182 11.5940 11.5940 15.0614 15.0614 k = 0.0000 0.0000 0.3380 ( 1424 PWs) bands (ev): -13.8436 -13.8436 -13.4208 -13.4208 -1.4313 -1.4313 -1.1833 -1.1833 2.0699 2.0699 2.0808 2.0808 3.4433 3.4433 3.4720 3.4720 5.1594 5.1594 5.2423 5.2423 5.3354 5.3354 7.0073 7.0073 7.0537 7.0537 10.2182 10.2182 11.5940 11.5940 15.0614 15.0614 k = 0.0086 0.0050 0.3380 ( 1424 PWs) bands (ev): -13.8433 -13.8433 -13.4205 -13.4205 -1.4313 -1.4313 -1.1838 -1.1838 2.0701 2.0701 2.0811 2.0811 3.4416 3.4416 3.4702 3.4702 5.1600 5.1600 5.2429 5.2429 5.3359 5.3359 7.0060 7.0060 7.0524 7.0524 10.2210 10.2210 11.5959 11.5959 15.0595 15.0595 k = 0.0172 0.0100 0.3380 ( 1424 PWs) bands (ev): -13.8423 -13.8423 -13.4196 -13.4196 -1.4314 -1.4314 -1.1853 -1.1853 2.0708 2.0708 2.0817 2.0817 3.4361 3.4361 3.4653 3.4653 5.1620 5.1620 5.2446 5.2446 5.3378 5.3378 7.0017 7.0017 7.0487 7.0487 10.2295 10.2295 11.6017 11.6017 15.0539 15.0539 k = 0.0259 0.0149 0.3380 ( 1424 PWs) bands (ev): -13.8406 -13.8406 -13.4181 -13.4181 -1.4315 -1.4315 -1.1877 -1.1877 2.0719 2.0719 2.0829 2.0829 3.4262 3.4262 3.4579 3.4579 5.1650 5.1650 5.2475 5.2475 5.3409 5.3409 6.9937 6.9937 7.0434 7.0434 10.2436 10.2436 11.6114 11.6114 15.0447 15.0447 k = 0.0345 0.0199 0.3380 ( 1424 PWs) bands (ev): -13.8383 -13.8383 -13.4161 -13.4161 -1.4316 -1.4316 -1.1912 -1.1912 2.0734 2.0734 2.0846 2.0846 3.4114 3.4114 3.4489 3.4489 5.1689 5.1689 5.2516 5.2516 5.3454 5.3454 6.9814 6.9814 7.0373 7.0373 10.2629 10.2629 11.6249 11.6249 15.0319 15.0319 k = 0.0431 0.0249 0.3380 ( 1420 PWs) bands (ev): -13.8353 -13.8353 -13.4135 -13.4135 -1.4317 -1.4317 -1.1956 -1.1956 2.0751 2.0751 2.0869 2.0869 3.3914 3.3914 3.4388 3.4388 5.1733 5.1733 5.2568 5.2568 5.3513 5.3513 6.9645 6.9645 7.0313 7.0313 10.2873 10.2873 11.6421 11.6421 15.0157 15.0157 k = 0.0517 0.0299 0.3380 ( 1428 PWs) bands (ev): -13.8317 -13.8317 -13.4104 -13.4104 -1.4320 -1.4320 -1.2009 -1.2009 2.0768 2.0768 2.0897 2.0897 3.3666 3.3666 3.4275 3.4275 5.1779 5.1779 5.2631 5.2631 5.3586 5.3586 6.9429 6.9429 7.0253 7.0253 10.3165 10.3165 11.6629 11.6629 14.9960 14.9960 k = 0.0603 0.0348 0.3380 ( 1428 PWs) bands (ev): -13.8274 -13.8274 -13.4067 -13.4067 -1.4323 -1.4323 -1.2070 -1.2070 2.0788 2.0788 2.0932 2.0932 3.3373 3.3373 3.4151 3.4151 5.1823 5.1823 5.2707 5.2707 5.3674 5.3674 6.9173 6.9173 7.0193 7.0193 10.3500 10.3500 11.6872 11.6872 14.9733 14.9733 k = 0.0690 0.0398 0.3380 ( 1428 PWs) bands (ev): -13.8225 -13.8225 -13.4024 -13.4024 -1.4326 -1.4326 -1.2141 -1.2141 2.0808 2.0808 2.0973 2.0973 3.3042 3.3042 3.4015 3.4015 5.1862 5.1862 5.2796 5.2796 5.3777 5.3777 6.8884 6.8884 7.0132 7.0132 10.3875 10.3875 11.7150 11.7150 14.9476 14.9476 k = 0.0776 0.0448 0.3380 ( 1434 PWs) bands (ev): -13.8169 -13.8169 -13.3977 -13.3977 -1.4331 -1.4331 -1.2219 -1.2219 2.0828 2.0828 2.1017 2.1017 3.2676 3.2676 3.3868 3.3868 5.1892 5.1892 5.2896 5.2896 5.3892 5.3892 6.8565 6.8565 7.0069 7.0069 10.4286 10.4286 11.7460 11.7460 14.9191 14.9191 k = 0.0862 0.0498 0.3380 ( 1434 PWs) bands (ev): -13.8107 -13.8107 -13.3924 -13.3924 -1.4336 -1.4336 -1.2305 -1.2305 2.0849 2.0849 2.1065 2.1065 3.2278 3.2278 3.3709 3.3709 5.1915 5.1915 5.3008 5.3008 5.4020 5.4020 6.8224 6.8224 7.0002 7.0002 10.4727 10.4727 11.7801 11.7801 14.8881 14.8881 k = 0.0948 0.0547 0.3380 ( 1432 PWs) bands (ev): -13.8040 -13.8040 -13.3866 -13.3866 -1.4342 -1.4342 -1.2397 -1.2397 2.0871 2.0871 2.1116 2.1116 3.1853 3.1853 3.3540 3.3540 5.1929 5.1929 5.3131 5.3131 5.4157 5.4157 6.7865 6.7865 6.9932 6.9932 10.5196 10.5196 11.8172 11.8172 14.8550 14.8550 k = 0.1034 0.0597 0.3380 ( 1436 PWs) bands (ev): -13.7966 -13.7966 -13.3804 -13.3804 -1.4350 -1.4350 -1.2496 -1.2496 2.0893 2.0893 2.1168 2.1168 3.1404 3.1404 3.3362 3.3362 5.1934 5.1934 5.3261 5.3261 5.4300 5.4300 6.7492 6.7492 6.9859 6.9859 10.5687 10.5687 11.8569 11.8569 14.8198 14.8198 k = 0.1121 0.0647 0.3380 ( 1436 PWs) bands (ev): -13.7886 -13.7886 -13.3737 -13.3737 -1.4359 -1.4359 -1.2601 -1.2601 2.0916 2.0916 2.1219 2.1219 3.0934 3.0934 3.3177 3.3177 5.1931 5.1931 5.3398 5.3398 5.4450 5.4450 6.7112 6.7112 6.9783 6.9783 10.6197 10.6197 11.8990 11.8990 14.7831 14.7831 k = 0.1207 0.0697 0.3380 ( 1436 PWs) bands (ev): -13.7801 -13.7801 -13.3666 -13.3666 -1.4370 -1.4370 -1.2711 -1.2711 2.0940 2.0940 2.1270 2.1270 3.0446 3.0446 3.2985 3.2985 5.1921 5.1921 5.3541 5.3541 5.4603 5.4603 6.6726 6.6726 6.9704 6.9704 10.6722 10.6722 11.9434 11.9434 14.7450 14.7450 k = 0.1293 0.0747 0.3380 ( 1440 PWs) bands (ev): -13.7711 -13.7711 -13.3591 -13.3591 -1.4383 -1.4383 -1.2825 -1.2825 2.0962 2.0962 2.1319 2.1319 2.9942 2.9942 3.2788 3.2788 5.1906 5.1906 5.3685 5.3685 5.4757 5.4757 6.6341 6.6341 6.9622 6.9622 10.7258 10.7258 11.9897 11.9897 14.7059 14.7059 k = 0.1379 0.0796 0.3380 ( 1440 PWs) bands (ev): -13.7615 -13.7615 -13.3512 -13.3512 -1.4398 -1.4398 -1.2943 -1.2943 2.0985 2.0985 2.1364 2.1364 2.9425 2.9425 3.2587 3.2587 5.1885 5.1885 5.3832 5.3832 5.4910 5.4910 6.5959 6.5959 6.9539 6.9539 10.7801 10.7801 12.0376 12.0376 14.6662 14.6662 k = 0.1466 0.0846 0.3380 ( 1448 PWs) bands (ev): -13.7514 -13.7514 -13.3429 -13.3429 -1.4416 -1.4416 -1.3063 -1.3063 2.1006 2.1006 2.1405 2.1405 2.8897 2.8897 3.2383 3.2383 5.1859 5.1859 5.3978 5.3978 5.5061 5.5061 6.5585 6.5585 6.9453 6.9453 10.8349 10.8349 12.0868 12.0868 14.6261 14.6261 k = 0.1552 0.0896 0.3380 ( 1452 PWs) bands (ev): -13.7409 -13.7409 -13.3343 -13.3343 -1.4437 -1.4437 -1.3185 -1.3185 2.1027 2.1027 2.1441 2.1441 2.8361 2.8361 3.2178 3.2178 5.1830 5.1830 5.4122 5.4122 5.5209 5.5209 6.5221 6.5221 6.9367 6.9367 10.8898 10.8898 12.1370 12.1370 14.5862 14.5862 k = 0.1638 0.0946 0.3380 ( 1452 PWs) bands (ev): -13.7299 -13.7299 -13.3254 -13.3254 -1.4462 -1.4462 -1.3307 -1.3307 2.1047 2.1047 2.1471 2.1471 2.7817 2.7817 3.1973 3.1973 5.1799 5.1799 5.4264 5.4264 5.5352 5.5352 6.4872 6.4872 6.9281 6.9281 10.9446 10.9446 12.1879 12.1879 14.5468 14.5468 k = 0.1724 0.0995 0.3380 ( 1452 PWs) bands (ev): -13.7184 -13.7184 -13.3163 -13.3163 -1.4492 -1.4492 -1.3428 -1.3428 2.1065 2.1065 2.1495 2.1495 2.7269 2.7269 3.1769 3.1769 5.1765 5.1765 5.4402 5.4402 5.5489 5.5489 6.4541 6.4541 6.9194 6.9194 10.9990 10.9990 12.2389 12.2389 14.5082 14.5082 k = 0.1810 0.1045 0.3380 ( 1452 PWs) bands (ev): -13.7065 -13.7065 -13.3068 -13.3068 -1.4528 -1.4528 -1.3546 -1.3546 2.1081 2.1081 2.1510 2.1510 2.6717 2.6717 3.1567 3.1567 5.1728 5.1728 5.4535 5.4535 5.5619 5.5619 6.4229 6.4229 6.9109 6.9109 11.0527 11.0527 12.2896 12.2896 14.4710 14.4710 k = 0.1897 0.1095 0.3380 ( 1452 PWs) bands (ev): -13.6943 -13.6943 -13.2972 -13.2972 -1.4572 -1.4572 -1.3659 -1.3659 2.1094 2.1094 2.1518 2.1518 2.6163 2.6163 3.1368 3.1368 5.1690 5.1690 5.4661 5.4661 5.5742 5.5742 6.3940 6.3940 6.9025 6.9025 11.1056 11.1056 12.3397 12.3397 14.4355 14.4355 k = 0.1983 0.1145 0.3380 ( 1452 PWs) bands (ev): -13.6817 -13.6817 -13.2874 -13.2874 -1.4626 -1.4626 -1.3765 -1.3765 2.1105 2.1105 2.1518 2.1518 2.5608 2.5608 3.1173 3.1173 5.1650 5.1650 5.4780 5.4780 5.5858 5.5858 6.3676 6.3676 6.8943 6.8943 11.1574 11.1574 12.3886 12.3886 14.4022 14.4022 k = 0.2069 0.1195 0.3380 ( 1446 PWs) bands (ev): -13.6687 -13.6687 -13.2775 -13.2775 -1.4691 -1.4691 -1.3862 -1.3862 2.1113 2.1113 2.1508 2.1508 2.5053 2.5053 3.0984 3.0984 5.1608 5.1608 5.4891 5.4891 5.5966 5.5966 6.3439 6.3439 6.8864 6.8864 11.2079 11.2079 12.4359 12.4359 14.3716 14.3716 k = 0.2155 0.1244 0.3380 ( 1446 PWs) bands (ev): -13.6555 -13.6555 -13.2675 -13.2675 -1.4769 -1.4769 -1.3947 -1.3947 2.1117 2.1117 2.1490 2.1490 2.4500 2.4500 3.0801 3.0801 5.1564 5.1564 5.4993 5.4993 5.6066 5.6066 6.3228 6.3228 6.8786 6.8786 11.2570 11.2570 12.4810 12.4810 14.3441 14.3441 k = 0.2241 0.1294 0.3380 ( 1450 PWs) bands (ev): -13.6420 -13.6420 -13.2574 -13.2574 -1.4860 -1.4860 -1.4020 -1.4020 2.1117 2.1117 2.1462 2.1462 2.3950 2.3950 3.0624 3.0624 5.1519 5.1519 5.5086 5.5086 5.6158 5.6158 6.3046 6.3046 6.8712 6.8712 11.3045 11.3045 12.5233 12.5233 14.3202 14.3202 k = 0.2328 0.1344 0.3380 ( 1442 PWs) bands (ev): -13.6282 -13.6282 -13.2472 -13.2472 -1.4963 -1.4963 -1.4080 -1.4080 2.1113 2.1113 2.1425 2.1425 2.3403 2.3403 3.0455 3.0455 5.1473 5.1473 5.5170 5.5170 5.6244 5.6244 6.2893 6.2893 6.8643 6.8643 11.3505 11.3505 12.5626 12.5626 14.3002 14.3002 k = 0.2414 0.1394 0.3380 ( 1438 PWs) bands (ev): -13.6143 -13.6143 -13.2370 -13.2370 -1.5076 -1.5076 -1.4130 -1.4130 2.1105 2.1105 2.1380 2.1380 2.2860 2.2860 3.0294 3.0294 5.1425 5.1425 5.5245 5.5245 5.6322 5.6322 6.2769 6.2769 6.8577 6.8577 11.3946 11.3946 12.5981 12.5981 14.2846 14.2846 k = 0.2500 0.1443 0.3380 ( 1438 PWs) bands (ev): -13.6002 -13.6002 -13.2269 -13.2269 -1.5199 -1.5199 -1.4171 -1.4171 2.1092 2.1092 2.1325 2.1325 2.2322 2.2322 3.0142 3.0142 5.1375 5.1375 5.5309 5.5309 5.6393 5.6393 6.2672 6.2672 6.8516 6.8516 11.4368 11.4368 12.6297 12.6297 14.2737 14.2737 k = 0.2586 0.1493 0.3380 ( 1434 PWs) bands (ev): -13.5859 -13.5859 -13.2168 -13.2168 -1.5328 -1.5328 -1.4204 -1.4204 2.1074 2.1074 2.1261 2.1261 2.1793 2.1793 2.9999 2.9999 5.1325 5.1325 5.5366 5.5366 5.6458 5.6458 6.2602 6.2602 6.8459 6.8459 11.4771 11.4771 12.6568 12.6568 14.2677 14.2677 k = 0.2672 0.1543 0.3380 ( 1434 PWs) bands (ev): -13.5716 -13.5716 -13.2068 -13.2068 -1.5462 -1.5462 -1.4230 -1.4230 2.1049 2.1049 2.1156 2.1156 2.1305 2.1305 2.9866 2.9866 5.1273 5.1273 5.5414 5.5414 5.6517 5.6517 6.2557 6.2557 6.8407 6.8407 11.5153 11.5153 12.6793 12.6793 14.2666 14.2666 k = 0.2759 0.1593 0.3380 ( 1434 PWs) bands (ev): -13.5572 -13.5572 -13.1970 -13.1970 -1.5599 -1.5599 -1.4251 -1.4251 2.0722 2.0722 2.1024 2.1024 2.1144 2.1144 2.9742 2.9742 5.1220 5.1220 5.5455 5.5455 5.6571 5.6571 6.2536 6.2536 6.8360 6.8360 11.5515 11.5515 12.6971 12.6971 14.2706 14.2706 k = 0.2845 0.1642 0.3380 ( 1438 PWs) bands (ev): -13.5428 -13.5428 -13.1873 -13.1873 -1.5738 -1.5738 -1.4268 -1.4268 2.0216 2.0216 2.0986 2.0986 2.1063 2.1063 2.9628 2.9628 5.1166 5.1166 5.5489 5.5489 5.6620 5.6620 6.2537 6.2537 6.8318 6.8318 11.5856 11.5856 12.7103 12.7103 14.2793 14.2793 k = 0.2931 0.1692 0.3380 ( 1442 PWs) bands (ev): -13.5285 -13.5285 -13.1778 -13.1778 -1.5878 -1.5878 -1.4280 -1.4280 1.9713 1.9713 2.0935 2.0935 2.0993 2.0993 2.9524 2.9524 5.1110 5.1110 5.5519 5.5519 5.6664 5.6664 6.2557 6.2557 6.8280 6.8280 11.6176 11.6176 12.7190 12.7190 14.2925 14.2925 k = 0.3017 0.1742 0.3380 ( 1438 PWs) bands (ev): -13.5142 -13.5142 -13.1685 -13.1685 -1.6018 -1.6018 -1.4288 -1.4288 1.9218 1.9218 2.0862 2.0862 2.0938 2.0938 2.9430 2.9430 5.1055 5.1055 5.5545 5.5545 5.6704 5.6704 6.2595 6.2595 6.8249 6.8249 11.6475 11.6475 12.7236 12.7236 14.3099 14.3099 k = 0.3103 0.1792 0.3380 ( 1434 PWs) bands (ev): -13.5000 -13.5000 -13.1595 -13.1595 -1.6158 -1.6158 -1.4292 -1.4292 1.8733 1.8733 2.0776 2.0776 2.0889 2.0889 2.9345 2.9345 5.1000 5.1000 5.5568 5.5568 5.6741 5.6741 6.2649 6.2649 6.8222 6.8222 11.6754 11.6754 12.7242 12.7242 14.3308 14.3308 k = 0.3190 0.1842 0.3380 ( 1438 PWs) bands (ev): -13.4860 -13.4860 -13.1507 -13.1507 -1.6297 -1.6297 -1.4293 -1.4293 1.8258 1.8258 2.0686 2.0686 2.0840 2.0840 2.9269 2.9269 5.0943 5.0943 5.5587 5.5587 5.6774 5.6774 6.2717 6.2717 6.8199 6.8199 11.7013 11.7013 12.7215 12.7215 14.3547 14.3547 k = 0.3276 0.1891 0.3380 ( 1438 PWs) bands (ev): -13.4721 -13.4721 -13.1423 -13.1423 -1.6433 -1.6433 -1.4290 -1.4290 1.7793 1.7793 2.0594 2.0594 2.0790 2.0790 2.9202 2.9202 5.0888 5.0888 5.5605 5.5605 5.6803 5.6803 6.2796 6.2796 6.8180 6.8180 11.7252 11.7252 12.7158 12.7158 14.3810 14.3810 k = 0.3362 0.1941 0.3380 ( 1438 PWs) bands (ev): -13.4585 -13.4585 -13.1342 -13.1342 -1.6568 -1.6568 -1.4285 -1.4285 1.7341 1.7341 2.0501 2.0501 2.0737 2.0737 2.9143 2.9143 5.0833 5.0833 5.5620 5.5620 5.6830 5.6830 6.2885 6.2885 6.8166 6.8166 11.7472 11.7472 12.7076 12.7076 14.4090 14.4090 k = 0.3448 0.1991 0.3380 ( 1442 PWs) bands (ev): -13.4453 -13.4453 -13.1264 -13.1264 -1.6700 -1.6700 -1.4276 -1.4276 1.6902 1.6902 2.0409 2.0409 2.0682 2.0682 2.9092 2.9092 5.0778 5.0778 5.5633 5.5633 5.6854 5.6854 6.2982 6.2982 6.8156 6.8156 11.7673 11.7673 12.6973 12.6973 14.4381 14.4381 k = 0.3534 0.2041 0.3380 ( 1438 PWs) bands (ev): -13.4323 -13.4323 -13.1191 -13.1191 -1.6828 -1.6828 -1.4265 -1.4265 1.6478 1.6478 2.0319 2.0319 2.0627 2.0627 2.9049 2.9049 5.0725 5.0725 5.5644 5.5644 5.6878 5.6878 6.3085 6.3085 6.8149 6.8149 11.7857 11.7857 12.6855 12.6855 14.4678 14.4678 k = 0.3621 0.2090 0.3380 ( 1438 PWs) bands (ev): -13.4197 -13.4197 -13.1121 -13.1121 -1.6952 -1.6952 -1.4251 -1.4251 1.6069 1.6069 2.0231 2.0231 2.0571 2.0571 2.9012 2.9012 5.0673 5.0673 5.5654 5.5654 5.6899 5.6899 6.3193 6.3193 6.8145 6.8145 11.8024 11.8024 12.6725 12.6725 14.4976 14.4976 k = 0.3707 0.2140 0.3380 ( 1434 PWs) bands (ev): -13.4076 -13.4076 -13.1055 -13.1055 -1.7072 -1.7072 -1.4235 -1.4235 1.5676 1.5676 2.0146 2.0146 2.0515 2.0515 2.8981 2.8981 5.0623 5.0623 5.5662 5.5662 5.6920 5.6920 6.3304 6.3304 6.8144 6.8144 11.8175 11.8175 12.6587 12.6587 14.5268 14.5268 k = 0.3793 0.2190 0.3380 ( 1430 PWs) bands (ev): -13.3959 -13.3959 -13.0994 -13.0994 -1.7187 -1.7187 -1.4217 -1.4217 1.5301 1.5301 2.0064 2.0064 2.0460 2.0460 2.8956 2.8956 5.0575 5.0575 5.5669 5.5669 5.6939 5.6939 6.3415 6.3415 6.8145 6.8145 11.8311 11.8311 12.6443 12.6443 14.5553 14.5553 k = 0.3879 0.2240 0.3380 ( 1434 PWs) bands (ev): -13.3848 -13.3848 -13.0936 -13.0936 -1.7296 -1.7296 -1.4198 -1.4198 1.4945 1.4945 1.9987 1.9987 2.0405 2.0405 2.8936 2.8936 5.0529 5.0529 5.5673 5.5673 5.6957 5.6957 6.3526 6.3526 6.8148 6.8148 11.8433 11.8433 12.6297 12.6297 14.5823 14.5823 k = 0.3966 0.2289 0.3380 ( 1432 PWs) bands (ev): -13.3742 -13.3742 -13.0883 -13.0883 -1.7400 -1.7400 -1.4178 -1.4178 1.4609 1.4609 1.9914 1.9914 2.0352 2.0352 2.8920 2.8920 5.0485 5.0485 5.5675 5.5675 5.6976 5.6976 6.3636 6.3636 6.8153 6.8153 11.8542 11.8542 12.6152 12.6152 14.6076 14.6076 k = 0.4052 0.2339 0.3380 ( 1432 PWs) bands (ev): -13.3643 -13.3643 -13.0835 -13.0835 -1.7497 -1.7497 -1.4157 -1.4157 1.4294 1.4294 1.9846 1.9846 2.0302 2.0302 2.8907 2.8907 5.0444 5.0444 5.5676 5.5676 5.6993 5.6993 6.3743 6.3743 6.8158 6.8158 11.8638 11.8638 12.6009 12.6009 14.6310 14.6310 k = 0.4138 0.2389 0.3380 ( 1432 PWs) bands (ev): -13.3550 -13.3550 -13.0791 -13.0791 -1.7587 -1.7587 -1.4135 -1.4135 1.4001 1.4001 1.9783 1.9783 2.0254 2.0254 2.8897 2.8897 5.0406 5.0406 5.5676 5.5676 5.7009 5.7009 6.3845 6.3845 6.8164 6.8164 11.8724 11.8724 12.5872 12.5872 14.6523 14.6523 k = 0.4224 0.2439 0.3380 ( 1434 PWs) bands (ev): -13.3464 -13.3464 -13.0751 -13.0751 -1.7671 -1.7671 -1.4114 -1.4114 1.3732 1.3732 1.9725 1.9725 2.0209 2.0209 2.8890 2.8890 5.0372 5.0372 5.5673 5.5673 5.7025 5.7025 6.3942 6.3942 6.8171 6.8171 11.8799 11.8799 12.5742 12.5742 14.6712 14.6712 k = 0.4310 0.2489 0.3380 ( 1434 PWs) bands (ev): -13.3387 -13.3387 -13.0716 -13.0716 -1.7746 -1.7746 -1.4094 -1.4094 1.3488 1.3488 1.9673 1.9673 2.0167 2.0167 2.8885 2.8885 5.0340 5.0340 5.5671 5.5671 5.7039 5.7039 6.4031 6.4031 6.8178 6.8178 11.8864 11.8864 12.5621 12.5621 14.6878 14.6878 k = 0.4397 0.2538 0.3380 ( 1436 PWs) bands (ev): -13.3317 -13.3317 -13.0685 -13.0685 -1.7814 -1.7814 -1.4074 -1.4074 1.3270 1.3270 1.9627 1.9627 2.0130 2.0130 2.8882 2.8882 5.0312 5.0312 5.5667 5.5667 5.7053 5.7053 6.4113 6.4113 6.8185 6.8185 11.8920 11.8920 12.5510 12.5510 14.7021 14.7021 k = 0.4483 0.2588 0.3380 ( 1428 PWs) bands (ev): -13.3255 -13.3255 -13.0659 -13.0659 -1.7873 -1.7873 -1.4056 -1.4056 1.3078 1.3078 1.9587 1.9587 2.0097 2.0097 2.8880 2.8880 5.0288 5.0288 5.5665 5.5665 5.7067 5.7067 6.4186 6.4186 6.8192 6.8192 11.8967 11.8967 12.5411 12.5411 14.7140 14.7140 k = 0.4569 0.2638 0.3380 ( 1432 PWs) bands (ev): -13.3202 -13.3202 -13.0636 -13.0636 -1.7924 -1.7924 -1.4040 -1.4040 1.2915 1.2915 1.9553 1.9553 2.0069 2.0069 2.8879 2.8879 5.0266 5.0266 5.5661 5.5661 5.7077 5.7077 6.4249 6.4249 6.8198 6.8198 11.9006 11.9006 12.5325 12.5325 14.7238 14.7238 k = 0.4655 0.2688 0.3380 ( 1430 PWs) bands (ev): -13.3159 -13.3159 -13.0618 -13.0618 -1.7965 -1.7965 -1.4027 -1.4027 1.2780 1.2780 1.9525 1.9525 2.0045 2.0045 2.8878 2.8878 5.0249 5.0249 5.5658 5.5658 5.7087 5.7087 6.4303 6.4303 6.8203 6.8203 11.9038 11.9038 12.5253 12.5253 14.7315 14.7315 k = 0.4741 0.2737 0.3380 ( 1430 PWs) bands (ev): -13.3125 -13.3125 -13.0604 -13.0604 -1.7998 -1.7998 -1.4016 -1.4016 1.2674 1.2674 1.9503 1.9503 2.0026 2.0026 2.8878 2.8878 5.0236 5.0236 5.5655 5.5655 5.7094 5.7094 6.4344 6.4344 6.8207 6.8207 11.9063 11.9063 12.5196 12.5196 14.7373 14.7373 k = 0.4828 0.2787 0.3380 ( 1432 PWs) bands (ev): -13.3100 -13.3100 -13.0594 -13.0594 -1.8022 -1.8022 -1.4008 -1.4008 1.2598 1.2598 1.9487 1.9487 2.0013 2.0013 2.8878 2.8878 5.0226 5.0226 5.5652 5.5652 5.7098 5.7098 6.4374 6.4374 6.8210 6.8210 11.9080 11.9080 12.5155 12.5155 14.7413 14.7413 k = 0.4914 0.2837 0.3380 ( 1432 PWs) bands (ev): -13.3085 -13.3085 -13.0588 -13.0588 -1.8036 -1.8036 -1.4003 -1.4003 1.2553 1.2553 1.9478 1.9478 2.0005 2.0005 2.8878 2.8878 5.0220 5.0220 5.5651 5.5651 5.7102 5.7102 6.4393 6.4393 6.8212 6.8212 11.9090 11.9090 12.5130 12.5130 14.7437 14.7437 k = 0.5000 0.2887 0.3380 ( 1440 PWs) bands (ev): -13.3080 -13.3080 -13.0586 -13.0586 -1.8041 -1.8041 -1.4002 -1.4002 1.2537 1.2537 1.9475 1.9475 2.0002 2.0002 2.8878 2.8878 5.0217 5.0217 5.5650 5.5650 5.7102 5.7102 6.4398 6.4398 6.8212 6.8212 11.9093 11.9093 12.5122 12.5122 14.7444 14.7444 k = 0.5000 0.2887 0.3380 ( 1440 PWs) bands (ev): -13.3080 -13.3080 -13.0586 -13.0586 -1.8041 -1.8041 -1.4002 -1.4002 1.2537 1.2537 1.9475 1.9475 2.0002 2.0002 2.8878 2.8878 5.0217 5.0217 5.5650 5.5650 5.7102 5.7102 6.4398 6.4398 6.8212 6.8212 11.9093 11.9093 12.5122 12.5122 14.7444 14.7444 k = 0.4951 0.2972 0.3380 ( 1432 PWs) bands (ev): -13.3078 -13.3078 -13.0587 -13.0587 -1.8035 -1.8035 -1.4001 -1.4001 1.2540 1.2540 1.9469 1.9469 2.0000 2.0000 2.8853 2.8853 5.0227 5.0227 5.5650 5.5650 5.7101 5.7101 6.4406 6.4406 6.8210 6.8210 11.9108 11.9108 12.5133 12.5133 14.7457 14.7457 k = 0.4902 0.3057 0.3380 ( 1436 PWs) bands (ev): -13.3071 -13.3071 -13.0587 -13.0587 -1.8018 -1.8018 -1.3999 -1.3999 1.2547 1.2547 1.9450 1.9450 1.9993 1.9993 2.8775 2.8775 5.0251 5.0251 5.5647 5.5647 5.7096 5.7096 6.4428 6.4428 6.8202 6.8202 11.9153 11.9153 12.5166 12.5166 14.7493 14.7493 k = 0.4853 0.3141 0.3380 ( 1440 PWs) bands (ev): -13.3060 -13.3060 -13.0589 -13.0589 -1.7989 -1.7989 -1.3995 -1.3995 1.2558 1.2558 1.9421 1.9421 1.9981 1.9981 2.8648 2.8648 5.0293 5.0293 5.5642 5.5642 5.7088 5.7088 6.4464 6.4464 6.8189 6.8189 11.9228 11.9228 12.5220 12.5220 14.7553 14.7553 k = 0.4804 0.3226 0.3380 ( 1440 PWs) bands (ev): -13.3045 -13.3045 -13.0591 -13.0591 -1.7949 -1.7949 -1.3990 -1.3990 1.2573 1.2573 1.9380 1.9380 1.9964 1.9964 2.8472 2.8472 5.0351 5.0351 5.5635 5.5635 5.7078 5.7078 6.4515 6.4515 6.8173 6.8173 11.9332 11.9332 12.5296 12.5296 14.7635 14.7635 k = 0.4755 0.3311 0.3380 ( 1444 PWs) bands (ev): -13.3025 -13.3025 -13.0593 -13.0593 -1.7898 -1.7898 -1.3984 -1.3984 1.2593 1.2593 1.9331 1.9331 1.9940 1.9940 2.8250 2.8250 5.0424 5.0424 5.5626 5.5626 5.7063 5.7063 6.4578 6.4578 6.8151 6.8151 11.9464 11.9464 12.5391 12.5391 14.7738 14.7738 k = 0.4706 0.3396 0.3380 ( 1444 PWs) bands (ev): -13.3000 -13.3000 -13.0596 -13.0596 -1.7836 -1.7836 -1.3977 -1.3977 1.2618 1.2618 1.9273 1.9273 1.9909 1.9909 2.7984 2.7984 5.0510 5.0510 5.5615 5.5615 5.7046 5.7046 6.4654 6.4654 6.8126 6.8126 11.9624 11.9624 12.5505 12.5505 14.7860 14.7861 k = 0.4657 0.3481 0.3380 ( 1446 PWs) bands (ev): -13.2972 -13.2972 -13.0600 -13.0600 -1.7763 -1.7763 -1.3969 -1.3969 1.2646 1.2646 1.9208 1.9208 1.9871 1.9871 2.7679 2.7679 5.0609 5.0609 5.5602 5.5602 5.7026 5.7026 6.4741 6.4741 6.8098 6.8098 11.9812 11.9812 12.5637 12.5637 14.7999 14.7999 k = 0.4608 0.3566 0.3380 ( 1446 PWs) bands (ev): -13.2939 -13.2939 -13.0604 -13.0604 -1.7680 -1.7680 -1.3960 -1.3960 1.2678 1.2678 1.9137 1.9137 1.9825 1.9825 2.7336 2.7336 5.0718 5.0718 5.5587 5.5587 5.7003 5.7003 6.4838 6.4838 6.8068 6.8068 12.0025 12.0025 12.5786 12.5786 14.8152 14.8152 k = 0.4559 0.3651 0.3380 ( 1446 PWs) bands (ev): -13.2903 -13.2903 -13.0609 -13.0609 -1.7587 -1.7587 -1.3951 -1.3951 1.2714 1.2714 1.9061 1.9061 1.9771 1.9771 2.6961 2.6961 5.0838 5.0838 5.5571 5.5571 5.6977 5.6977 6.4945 6.4945 6.8037 6.8037 12.0263 12.0263 12.5948 12.5948 14.8314 14.8314 k = 0.4510 0.3736 0.3380 ( 1450 PWs) bands (ev): -13.2862 -13.2862 -13.0615 -13.0615 -1.7485 -1.7485 -1.3942 -1.3942 1.2754 1.2754 1.8981 1.8981 1.9709 1.9709 2.6556 2.6556 5.0965 5.0965 5.5551 5.5551 5.6949 5.6949 6.5058 6.5058 6.8004 6.8004 12.0524 12.0524 12.6123 12.6123 14.8483 14.8483 k = 0.4461 0.3821 0.3380 ( 1450 PWs) bands (ev): -13.2818 -13.2818 -13.0622 -13.0622 -1.7374 -1.7374 -1.3932 -1.3932 1.2796 1.2796 1.8898 1.8898 1.9640 1.9640 2.6126 2.6126 5.1099 5.1099 5.5530 5.5530 5.6918 5.6918 6.5178 6.5178 6.7971 6.7971 12.0807 12.0807 12.6309 12.6309 14.8652 14.8652 k = 0.4412 0.3906 0.3380 ( 1450 PWs) bands (ev): -13.2771 -13.2771 -13.0630 -13.0630 -1.7255 -1.7255 -1.3923 -1.3923 1.2842 1.2842 1.8813 1.8813 1.9563 1.9563 2.5676 2.5676 5.1239 5.1239 5.5506 5.5506 5.6884 5.6884 6.5303 6.5303 6.7937 6.7937 12.1110 12.1110 12.6503 12.6503 14.8818 14.8818 k = 0.4363 0.3991 0.3380 ( 1450 PWs) bands (ev): -13.2719 -13.2719 -13.0640 -13.0640 -1.7128 -1.7128 -1.3914 -1.3914 1.2890 1.2890 1.8727 1.8727 1.9479 1.9479 2.5209 2.5209 5.1384 5.1384 5.5481 5.5481 5.6849 5.6849 6.5432 6.5432 6.7905 6.7905 12.1431 12.1431 12.6704 12.6704 14.8975 14.8975 k = 0.4314 0.4075 0.3380 ( 1450 PWs) bands (ev): -13.2665 -13.2665 -13.0650 -13.0650 -1.6995 -1.6995 -1.3906 -1.3906 1.2941 1.2941 1.8641 1.8641 1.9389 1.9389 2.4728 2.4728 5.1533 5.1533 5.5452 5.5452 5.6810 5.6810 6.5563 6.5563 6.7874 6.7874 12.1768 12.1768 12.6909 12.6909 14.9117 14.9117 k = 0.4265 0.4160 0.3380 ( 1450 PWs) bands (ev): -13.2608 -13.2608 -13.0661 -13.0661 -1.6855 -1.6855 -1.3900 -1.3900 1.2993 1.2993 1.8555 1.8555 1.9294 1.9294 2.4239 2.4239 5.1684 5.1684 5.5422 5.5422 5.6771 5.6771 6.5694 6.5694 6.7845 6.7845 12.2119 12.2119 12.7117 12.7117 14.9239 14.9239 k = 0.4216 0.4245 0.3380 ( 1446 PWs) bands (ev): -13.2548 -13.2548 -13.0675 -13.0675 -1.6709 -1.6709 -1.3894 -1.3894 1.3047 1.3047 1.8470 1.8470 1.9194 1.9194 2.3745 2.3745 5.1837 5.1837 5.5389 5.5389 5.6730 5.6730 6.5826 6.5826 6.7818 6.7818 12.2483 12.2483 12.7324 12.7324 14.9334 14.9334 k = 0.4167 0.4330 0.3380 ( 1446 PWs) bands (ev): -13.2485 -13.2485 -13.0689 -13.0689 -1.6560 -1.6560 -1.3891 -1.3891 1.3101 1.3101 1.8387 1.8387 1.9090 1.9090 2.3251 2.3251 5.1991 5.1991 5.5353 5.5353 5.6688 5.6688 6.5956 6.5956 6.7794 6.7794 12.2856 12.2856 12.7529 12.7529 14.9399 14.9399 k = 0.4118 0.4415 0.3380 ( 1442 PWs) bands (ev): -13.2420 -13.2420 -13.0705 -13.0705 -1.6407 -1.6407 -1.3890 -1.3890 1.3156 1.3156 1.8307 1.8307 1.8984 1.8984 2.2759 2.2759 5.2146 5.2146 5.5316 5.5316 5.6645 5.6645 6.6085 6.6085 6.7771 6.7771 12.3237 12.3237 12.7728 12.7728 14.9430 14.9430 k = 0.4069 0.4500 0.3380 ( 1442 PWs) bands (ev): -13.2353 -13.2353 -13.0723 -13.0723 -1.6251 -1.6251 -1.3892 -1.3892 1.3210 1.3210 1.8230 1.8230 1.8876 1.8876 2.2274 2.2274 5.2300 5.2300 5.5276 5.5276 5.6601 5.6601 6.6210 6.6210 6.7752 6.7752 12.3623 12.3623 12.7921 12.7921 14.9424 14.9424 k = 0.4020 0.4585 0.3380 ( 1446 PWs) bands (ev): -13.2285 -13.2285 -13.0744 -13.0744 -1.6094 -1.6094 -1.3896 -1.3896 1.3263 1.3263 1.8157 1.8157 1.8767 1.8767 2.1799 2.1799 5.2454 5.2454 5.5232 5.5232 5.6556 5.6556 6.6331 6.6331 6.7735 6.7735 12.4012 12.4012 12.8103 12.8103 14.9382 14.9382 k = 0.3971 0.4670 0.3380 ( 1438 PWs) bands (ev): -13.2214 -13.2214 -13.0765 -13.0765 -1.5937 -1.5937 -1.3904 -1.3904 1.3313 1.3313 1.8088 1.8088 1.8659 1.8659 2.1339 2.1339 5.2607 5.2607 5.5187 5.5187 5.6513 5.6513 6.6448 6.6448 6.7721 6.7721 12.4400 12.4400 12.8273 12.8273 14.9306 14.9306 k = 0.3922 0.4755 0.3380 ( 1434 PWs) bands (ev): -13.2142 -13.2142 -13.0790 -13.0790 -1.5780 -1.5780 -1.3914 -1.3914 1.3361 1.3361 1.8025 1.8025 1.8553 1.8553 2.0896 2.0896 5.2757 5.2757 5.5139 5.5139 5.6470 5.6470 6.6560 6.6560 6.7709 6.7709 12.4787 12.4787 12.8429 12.8429 14.9198 14.9198 k = 0.3873 0.4840 0.3380 ( 1430 PWs) bands (ev): -13.2070 -13.2070 -13.0816 -13.0816 -1.5625 -1.5625 -1.3929 -1.3929 1.3405 1.3405 1.7967 1.7967 1.8450 1.8450 2.0475 2.0475 5.2904 5.2904 5.5089 5.5089 5.6428 5.6428 6.6666 6.6666 6.7699 6.7699 12.5168 12.5168 12.8567 12.8567 14.9063 14.9063 k = 0.3824 0.4924 0.3380 ( 1430 PWs) bands (ev): -13.1997 -13.1997 -13.0845 -13.0845 -1.5474 -1.5474 -1.3947 -1.3947 1.3443 1.3443 1.7914 1.7914 1.8351 1.8351 2.0079 2.0079 5.3047 5.3047 5.5037 5.5037 5.6386 5.6386 6.6766 6.6766 6.7691 6.7691 12.5541 12.5541 12.8686 12.8686 14.8908 14.8908 k = 0.3775 0.5009 0.3380 ( 1434 PWs) bands (ev): -13.1923 -13.1923 -13.0877 -13.0877 -1.5327 -1.5327 -1.3969 -1.3969 1.3476 1.3476 1.7868 1.7868 1.8259 1.8259 1.9711 1.9711 5.3184 5.3184 5.4982 5.4982 5.6346 5.6346 6.6858 6.6858 6.7683 6.7683 12.5905 12.5905 12.8782 12.8782 14.8739 14.8739 k = 0.3725 0.5094 0.3380 ( 1438 PWs) bands (ev): -13.1849 -13.1849 -13.0911 -13.0911 -1.5185 -1.5185 -1.3996 -1.3996 1.3502 1.3502 1.7829 1.7829 1.8173 1.8173 1.9375 1.9375 5.3317 5.3317 5.4927 5.4927 5.6308 5.6308 6.6944 6.6944 6.7677 6.7677 12.6256 12.6256 12.8854 12.8854 14.8563 14.8563 k = 0.3676 0.5179 0.3380 ( 1442 PWs) bands (ev): -13.1776 -13.1776 -13.0948 -13.0948 -1.5049 -1.5049 -1.4027 -1.4027 1.3522 1.3522 1.7795 1.7795 1.8095 1.8095 1.9071 1.9071 5.3443 5.3443 5.4870 5.4870 5.6273 5.6273 6.7023 6.7023 6.7670 6.7670 12.6592 12.6592 12.8900 12.8900 14.8388 14.8388 k = 0.3627 0.5264 0.3380 ( 1440 PWs) bands (ev): -13.1703 -13.1703 -13.0988 -13.0988 -1.4921 -1.4921 -1.4062 -1.4062 1.3533 1.3533 1.7767 1.7767 1.8029 1.8029 1.8804 1.8804 5.3563 5.3563 5.4815 5.4815 5.6241 5.6241 6.7094 6.7094 6.7664 6.7664 12.6912 12.6912 12.8917 12.8917 14.8221 14.8221 k = 0.3578 0.5349 0.3380 ( 1438 PWs) bands (ev): -13.1631 -13.1631 -13.1031 -13.1031 -1.4802 -1.4802 -1.4101 -1.4101 1.3538 1.3538 1.7745 1.7745 1.7976 1.7976 1.8574 1.8574 5.3672 5.3672 5.4761 5.4761 5.6213 5.6213 6.7157 6.7157 6.7658 6.7658 12.7212 12.7212 12.8906 12.8906 14.8067 14.8067 k = 0.3529 0.5434 0.3380 ( 1438 PWs) bands (ev): -13.1561 -13.1561 -13.1077 -13.1077 -1.4692 -1.4692 -1.4145 -1.4145 1.3537 1.3537 1.7726 1.7726 1.7938 1.7938 1.8382 1.8382 5.3768 5.3768 5.4710 5.4710 5.6189 5.6189 6.7211 6.7211 6.7651 6.7651 12.7492 12.7492 12.8865 12.8865 14.7933 14.7933 k = 0.3480 0.5519 0.3380 ( 1446 PWs) bands (ev): -13.1491 -13.1491 -13.1126 -13.1126 -1.4593 -1.4593 -1.4192 -1.4192 1.3532 1.3532 1.7709 1.7709 1.7917 1.7917 1.8226 1.8226 5.3848 5.3848 5.4664 5.4664 5.6168 5.6168 6.7256 6.7256 6.7644 6.7644 12.7750 12.7750 12.8792 12.8792 14.7823 14.7823 k = 0.3431 0.5604 0.3380 ( 1450 PWs) bands (ev): -13.1424 -13.1424 -13.1179 -13.1179 -1.4505 -1.4505 -1.4243 -1.4243 1.3524 1.3524 1.7695 1.7695 1.7916 1.7916 1.8106 1.8106 5.3909 5.3909 5.4628 5.4628 5.6153 5.6153 6.7290 6.7290 6.7637 6.7637 12.7984 12.7984 12.8691 12.8691 14.7742 14.7742 k = 0.3382 0.5689 0.3380 ( 1450 PWs) bands (ev): -13.1359 -13.1359 -13.1235 -13.1235 -1.4430 -1.4430 -1.4295 -1.4295 1.3518 1.3518 1.7684 1.7684 1.7932 1.7932 1.8021 1.8021 5.3947 5.3947 5.4606 5.4606 5.6144 5.6144 6.7312 6.7312 6.7633 6.7633 12.8191 12.8191 12.8563 12.8563 14.7691 14.7691 k = 0.3333 0.5774 0.3380 ( 1446 PWs) bands (ev): -13.1304 -13.1304 -13.1287 -13.1287 -1.4384 -1.4384 -1.4333 -1.4333 1.3515 1.3515 1.7681 1.7681 1.7962 1.7962 1.7969 1.7969 5.3959 5.3959 5.4599 5.4599 5.6141 5.6141 6.7320 6.7320 6.7632 6.7632 12.8327 12.8327 12.8453 12.8453 14.7674 14.7674 k = 0.3333 0.5774 0.3380 ( 1446 PWs) bands (ev): -13.1304 -13.1304 -13.1287 -13.1287 -1.4384 -1.4384 -1.4333 -1.4333 1.3515 1.3515 1.7681 1.7681 1.7962 1.7962 1.7969 1.7969 5.3959 5.3959 5.4599 5.4599 5.6141 5.6141 6.7320 6.7320 6.7632 6.7632 12.8327 12.8327 12.8453 12.8453 14.7674 14.7674 k = 0.3284 0.5687 0.3380 ( 1450 PWs) bands (ev): -13.1360 -13.1360 -13.1234 -13.1234 -1.4427 -1.4427 -1.4299 -1.4299 1.3519 1.3519 1.7685 1.7685 1.7938 1.7938 1.8014 1.8014 5.3947 5.3947 5.4605 5.4605 5.6144 5.6144 6.7311 6.7311 6.7633 6.7633 12.8186 12.8186 12.8567 12.8567 14.7692 14.7692 k = 0.3234 0.5601 0.3380 ( 1442 PWs) bands (ev): -13.1428 -13.1428 -13.1176 -13.1176 -1.4489 -1.4489 -1.4258 -1.4258 1.3533 1.3533 1.7700 1.7700 1.7936 1.7936 1.8078 1.8078 5.3916 5.3916 5.4622 5.4622 5.6155 5.6155 6.7288 6.7288 6.7638 6.7638 12.7973 12.7973 12.8704 12.8704 14.7747 14.7747 k = 0.3184 0.5515 0.3380 ( 1444 PWs) bands (ev): -13.1500 -13.1500 -13.1121 -13.1121 -1.4555 -1.4555 -1.4229 -1.4229 1.3560 1.3560 1.7726 1.7726 1.7957 1.7957 1.8155 1.8155 5.3868 5.3868 5.4641 5.4641 5.6171 5.6171 6.7250 6.7250 6.7645 6.7645 12.7733 12.7733 12.8821 12.8821 14.7837 14.7837 k = 0.3134 0.5429 0.3380 ( 1444 PWs) bands (ev): -13.1576 -13.1576 -13.1071 -13.1071 -1.4624 -1.4624 -1.4210 -1.4210 1.3602 1.3602 1.7762 1.7762 1.7997 1.7997 1.8247 1.8247 5.3812 5.3812 5.4660 5.4660 5.6193 5.6193 6.7198 6.7198 6.7653 6.7653 12.7470 12.7470 12.8917 12.8917 14.7963 14.7963 k = 0.3085 0.5343 0.3380 ( 1440 PWs) bands (ev): -13.1656 -13.1656 -13.1024 -13.1024 -1.4693 -1.4693 -1.4202 -1.4202 1.3660 1.3660 1.7810 1.7810 1.8054 1.8054 1.8352 1.8352 5.3750 5.3750 5.4677 5.4677 5.6221 5.6221 6.7135 6.7135 6.7660 6.7660 12.7189 12.7189 12.8993 12.8993 14.8125 14.8125 k = 0.3035 0.5256 0.3380 ( 1440 PWs) bands (ev): -13.1740 -13.1740 -13.0981 -13.0981 -1.4764 -1.4764 -1.4204 -1.4204 1.3735 1.3735 1.7868 1.7868 1.8127 1.8127 1.8471 1.8471 5.3684 5.3684 5.4689 5.4689 5.6252 5.6252 6.7059 6.7059 6.7665 6.7665 12.6892 12.6892 12.9050 12.9050 14.8320 14.8320 k = 0.2985 0.5170 0.3380 ( 1440 PWs) bands (ev): -13.1829 -13.1829 -13.0943 -13.0943 -1.4834 -1.4834 -1.4216 -1.4216 1.3829 1.3829 1.7937 1.7937 1.8214 1.8214 1.8604 1.8604 5.3615 5.3615 5.4696 5.4696 5.6288 5.6288 6.6972 6.6972 6.7669 6.7669 12.6581 12.6581 12.9090 12.9090 14.8548 14.8548 k = 0.2935 0.5084 0.3380 ( 1440 PWs) bands (ev): -13.1921 -13.1921 -13.0909 -13.0909 -1.4903 -1.4903 -1.4235 -1.4235 1.3941 1.3941 1.8017 1.8017 1.8312 1.8312 1.8751 1.8751 5.3546 5.3546 5.4699 5.4699 5.6325 5.6325 6.6874 6.6874 6.7671 6.7671 12.6260 12.6260 12.9116 12.9116 14.8807 14.8807 k = 0.2886 0.4998 0.3380 ( 1436 PWs) bands (ev): -13.2017 -13.2017 -13.0880 -13.0880 -1.4972 -1.4972 -1.4262 -1.4262 1.4070 1.4070 1.8106 1.8106 1.8421 1.8421 1.8911 1.8911 5.3476 5.3476 5.4698 5.4698 5.6366 5.6366 6.6765 6.6765 6.7671 6.7671 12.5929 12.5929 12.9129 12.9129 14.9097 14.9097 k = 0.2836 0.4912 0.3380 ( 1436 PWs) bands (ev): -13.2117 -13.2117 -13.0857 -13.0857 -1.5038 -1.5038 -1.4295 -1.4295 1.4216 1.4216 1.8204 1.8204 1.8539 1.8539 1.9084 1.9084 5.3407 5.3407 5.4694 5.4694 5.6406 5.6406 6.6645 6.6645 6.7670 6.7670 12.5593 12.5593 12.9132 12.9132 14.9415 14.9415 k = 0.2786 0.4826 0.3380 ( 1428 PWs) bands (ev): -13.2221 -13.2221 -13.0839 -13.0839 -1.5102 -1.5102 -1.4333 -1.4333 1.4378 1.4378 1.8311 1.8311 1.8666 1.8666 1.9272 1.9272 5.3340 5.3340 5.4689 5.4689 5.6446 5.6446 6.6517 6.6517 6.7667 6.7667 12.5251 12.5251 12.9126 12.9126 14.9760 14.9760 k = 0.2736 0.4739 0.3380 ( 1428 PWs) bands (ev): -13.2329 -13.2329 -13.0826 -13.0826 -1.5162 -1.5162 -1.4374 -1.4374 1.4554 1.4554 1.8426 1.8426 1.8801 1.8801 1.9472 1.9472 5.3273 5.3273 5.4679 5.4679 5.6485 5.6485 6.6377 6.6377 6.7663 6.7663 12.4905 12.4905 12.9115 12.9115 15.0132 15.0132 k = 0.2687 0.4653 0.3380 ( 1428 PWs) bands (ev): -13.2440 -13.2440 -13.0818 -13.0818 -1.5220 -1.5220 -1.4418 -1.4418 1.4744 1.4744 1.8548 1.8548 1.8943 1.8943 1.9685 1.9685 5.3209 5.3209 5.4669 5.4669 5.6523 5.6523 6.6229 6.6229 6.7659 6.7659 12.4557 12.4557 12.9098 12.9098 15.0527 15.0527 k = 0.2637 0.4567 0.3380 ( 1428 PWs) bands (ev): -13.2556 -13.2556 -13.0816 -13.0816 -1.5273 -1.5273 -1.4464 -1.4464 1.4945 1.4945 1.8677 1.8677 1.9091 1.9091 1.9910 1.9910 5.3146 5.3146 5.4658 5.4658 5.6560 5.6560 6.6071 6.6071 6.7653 6.7653 12.4207 12.4207 12.9079 12.9079 15.0884 15.0884 k = 0.2587 0.4481 0.3380 ( 1432 PWs) bands (ev): -13.2675 -13.2675 -13.0820 -13.0820 -1.5321 -1.5321 -1.4510 -1.4510 1.5157 1.5157 1.8813 1.8813 1.9246 1.9246 2.0148 2.0148 5.3085 5.3085 5.4645 5.4645 5.6593 5.6593 6.5905 6.5905 6.7648 6.7648 12.3856 12.3856 12.9059 12.9059 15.0638 15.0638 k = 0.2537 0.4395 0.3380 ( 1436 PWs) bands (ev): -13.2797 -13.2797 -13.0830 -13.0830 -1.5364 -1.5364 -1.4555 -1.4555 1.5378 1.5378 1.8953 1.8953 1.9406 1.9406 2.0397 2.0397 5.3027 5.3027 5.4633 5.4633 5.6626 5.6626 6.5732 6.5732 6.7643 6.7643 12.3505 12.3505 12.9038 12.9038 15.0319 15.0319 k = 0.2488 0.4309 0.3380 ( 1436 PWs) bands (ev): -13.2923 -13.2923 -13.0845 -13.0845 -1.5402 -1.5402 -1.4599 -1.4599 1.5607 1.5607 1.9098 1.9098 1.9571 1.9571 2.0658 2.0658 5.2971 5.2971 5.4623 5.4623 5.6656 5.6656 6.5553 6.5553 6.7638 6.7638 12.3153 12.3153 12.9018 12.9018 14.9963 14.9963 k = 0.2438 0.4222 0.3380 ( 1440 PWs) bands (ev): -13.3052 -13.3052 -13.0866 -13.0866 -1.5433 -1.5433 -1.4641 -1.4641 1.5842 1.5842 1.9247 1.9247 1.9740 1.9740 2.0930 2.0930 5.2918 5.2918 5.4613 5.4613 5.6684 5.6684 6.5367 6.5367 6.7634 6.7634 12.2801 12.2801 12.9000 12.9000 14.9573 14.9573 k = 0.2388 0.4136 0.3380 ( 1440 PWs) bands (ev): -13.3184 -13.3184 -13.0893 -13.0893 -1.5458 -1.5458 -1.4680 -1.4680 1.6082 1.6082 1.9399 1.9399 1.9915 1.9915 2.1213 2.1213 5.2867 5.2867 5.4605 5.4605 5.6710 5.6710 6.5177 6.5177 6.7632 6.7632 12.2448 12.2448 12.8983 12.8983 14.9156 14.9156 k = 0.2338 0.4050 0.3380 ( 1440 PWs) bands (ev): -13.3319 -13.3319 -13.0925 -13.0925 -1.5476 -1.5476 -1.4715 -1.4715 1.6327 1.6327 1.9552 1.9552 2.0093 2.0093 2.1506 2.1506 5.2820 5.2820 5.4598 5.4598 5.6734 5.6734 6.4984 6.4984 6.7631 6.7631 12.2095 12.2095 12.8969 12.8969 14.8716 14.8716 k = 0.2289 0.3964 0.3380 ( 1436 PWs) bands (ev): -13.3457 -13.3457 -13.0963 -13.0963 -1.5487 -1.5487 -1.4747 -1.4747 1.6574 1.6574 1.9707 1.9707 2.0275 2.0275 2.1809 2.1809 5.2776 5.2776 5.4594 5.4594 5.6756 5.6756 6.4789 6.4789 6.7633 6.7633 12.1739 12.1739 12.8955 12.8955 14.8259 14.8259 k = 0.2239 0.3878 0.3380 ( 1428 PWs) bands (ev): -13.3597 -13.3597 -13.1007 -13.1007 -1.5491 -1.5491 -1.4774 -1.4774 1.6824 1.6824 1.9861 1.9861 2.0460 2.0460 2.2122 2.2122 5.2735 5.2735 5.4592 5.4592 5.6776 5.6776 6.4593 6.4593 6.7637 6.7637 12.1383 12.1383 12.8943 12.8943 14.7790 14.7790 k = 0.2189 0.3792 0.3380 ( 1430 PWs) bands (ev): -13.3739 -13.3739 -13.1056 -13.1056 -1.5487 -1.5487 -1.4797 -1.4797 1.7075 1.7075 2.0015 2.0015 2.0648 2.0648 2.2443 2.2443 5.2696 5.2696 5.4592 5.4592 5.6791 5.6791 6.4397 6.4397 6.7644 6.7644 12.1023 12.1023 12.8930 12.8930 14.7314 14.7314 k = 0.2139 0.3705 0.3380 ( 1434 PWs) bands (ev): -13.3884 -13.3884 -13.1110 -13.1110 -1.5476 -1.5476 -1.4815 -1.4815 1.7326 1.7326 2.0167 2.0167 2.0838 2.0838 2.2773 2.2773 5.2658 5.2658 5.4593 5.4593 5.6805 5.6805 6.4203 6.4203 6.7653 6.7653 12.0660 12.0660 12.8915 12.8915 14.6836 14.6836 k = 0.2090 0.3619 0.3380 ( 1434 PWs) bands (ev): -13.4030 -13.4030 -13.1169 -13.1169 -1.5457 -1.5457 -1.4828 -1.4828 1.7578 1.7578 2.0316 2.0316 2.1032 2.1032 2.3110 2.3110 5.2624 5.2624 5.4596 5.4596 5.6816 5.6816 6.4014 6.4014 6.7666 6.7666 12.0293 12.0293 12.8896 12.8896 14.6362 14.6362 k = 0.2040 0.3533 0.3380 ( 1434 PWs) bands (ev): -13.4179 -13.4179 -13.1233 -13.1233 -1.5430 -1.5430 -1.4837 -1.4837 1.7828 1.7828 2.0461 2.0461 2.1229 2.1229 2.3455 2.3455 5.2593 5.2593 5.4602 5.4602 5.6824 5.6824 6.3830 6.3830 6.7683 6.7683 11.9921 11.9921 12.8870 12.8870 14.5897 14.5897 k = 0.1990 0.3447 0.3380 ( 1434 PWs) bands (ev): -13.4328 -13.4328 -13.1301 -13.1301 -1.5396 -1.5396 -1.4841 -1.4841 1.8076 1.8076 2.0602 2.0602 2.1429 2.1429 2.3806 2.3806 5.2564 5.2564 5.4609 5.4609 5.6829 5.6829 6.3653 6.3653 6.7704 6.7704 11.9544 11.9544 12.8835 12.8835 14.5446 14.5446 k = 0.1940 0.3361 0.3380 ( 1442 PWs) bands (ev): -13.4478 -13.4478 -13.1374 -13.1374 -1.5354 -1.5354 -1.4841 -1.4841 1.8321 1.8321 2.0737 2.0737 2.1633 2.1633 2.4162 2.4162 5.2536 5.2536 5.4616 5.4616 5.6830 5.6830 6.3485 6.3485 6.7729 6.7729 11.9160 11.9160 12.8786 12.8786 14.5016 14.5016 k = 0.1891 0.3275 0.3380 ( 1442 PWs) bands (ev): -13.4630 -13.4630 -13.1451 -13.1451 -1.5304 -1.5304 -1.4837 -1.4837 1.8563 1.8563 2.0866 2.0866 2.1842 2.1842 2.4525 2.4525 5.2512 5.2512 5.4625 5.4625 5.6827 5.6827 6.3329 6.3329 6.7760 6.7760 11.8769 11.8769 12.8720 12.8720 14.4613 14.4613 k = 0.1841 0.3188 0.3380 ( 1444 PWs) bands (ev): -13.4782 -13.4782 -13.1531 -13.1531 -1.5247 -1.5247 -1.4829 -1.4829 1.8798 1.8798 2.0988 2.0988 2.2058 2.2058 2.4892 2.4892 5.2489 5.2489 5.4633 5.4633 5.6819 5.6819 6.3186 6.3186 6.7795 6.7795 11.8370 11.8370 12.8633 12.8633 14.4240 14.4240 k = 0.1791 0.3102 0.3380 ( 1444 PWs) bands (ev): -13.4934 -13.4934 -13.1616 -13.1616 -1.5183 -1.5183 -1.4817 -1.4817 1.9027 1.9027 2.1101 2.1101 2.2281 2.2281 2.5262 2.5262 5.2469 5.2469 5.4640 5.4640 5.6808 5.6808 6.3060 6.3060 6.7835 6.7835 11.7962 11.7962 12.8521 12.8521 14.3906 14.3906 k = 0.1741 0.3016 0.3380 ( 1440 PWs) bands (ev): -13.5086 -13.5086 -13.1703 -13.1703 -1.5111 -1.5111 -1.4802 -1.4802 1.9248 1.9248 2.1207 2.1207 2.2514 2.2514 2.5637 2.5637 5.2450 5.2450 5.4646 5.4646 5.6791 5.6791 6.2952 6.2952 6.7881 6.7881 11.7546 11.7546 12.8380 12.8380 14.3614 14.3614 k = 0.1692 0.2930 0.3380 ( 1444 PWs) bands (ev): -13.5238 -13.5238 -13.1793 -13.1793 -1.5033 -1.5033 -1.4784 -1.4784 1.9458 1.9458 2.1303 2.1303 2.2757 2.2757 2.6013 2.6013 5.2433 5.2433 5.4647 5.4647 5.6767 5.6767 6.2864 6.2864 6.7932 6.7932 11.7119 11.7119 12.8207 12.8207 14.3369 14.3369 k = 0.1642 0.2844 0.3380 ( 1448 PWs) bands (ev): -13.5390 -13.5390 -13.1886 -13.1886 -1.4948 -1.4948 -1.4764 -1.4764 1.9655 1.9655 2.1389 2.1389 2.3014 2.3014 2.6392 2.6392 5.2417 5.2417 5.4644 5.4644 5.6738 5.6738 6.2799 6.2799 6.7988 6.7988 11.6683 11.6683 12.7997 12.7997 14.3176 14.3176 k = 0.1592 0.2757 0.3380 ( 1448 PWs) bands (ev): -13.5541 -13.5541 -13.1981 -13.1981 -1.4857 -1.4857 -1.4742 -1.4742 1.9839 1.9839 2.1466 2.1466 2.3286 2.3286 2.6771 2.6771 5.2402 5.2402 5.4635 5.4635 5.6702 5.6702 6.2759 6.2759 6.8051 6.8051 11.6235 11.6235 12.7750 12.7750 14.3037 14.3037 k = 0.1542 0.2671 0.3380 ( 1444 PWs) bands (ev): -13.5690 -13.5690 -13.2078 -13.2078 -1.4760 -1.4760 -1.4718 -1.4718 2.0009 2.0009 2.1532 2.1532 2.3574 2.3574 2.7150 2.7150 5.2389 5.2389 5.4620 5.4620 5.6660 5.6660 6.2747 6.2747 6.8118 6.8118 11.5777 11.5777 12.7465 12.7465 14.2955 14.2955 k = 0.1493 0.2585 0.3380 ( 1442 PWs) bands (ev): -13.5838 -13.5838 -13.2176 -13.2176 -1.4694 -1.4694 -1.4657 -1.4657 2.0162 2.0162 2.1589 2.1589 2.3880 2.3880 2.7529 2.7529 5.2376 5.2376 5.4597 5.4597 5.6611 5.6611 6.2762 6.2762 6.8191 6.8191 11.5308 11.5308 12.7142 12.7142 14.2927 14.2927 k = 0.1443 0.2499 0.3380 ( 1442 PWs) bands (ev): -13.5985 -13.5985 -13.2276 -13.2276 -1.4668 -1.4668 -1.4550 -1.4550 2.0300 2.0300 2.1634 2.1634 2.4203 2.4203 2.7906 2.7906 5.2364 5.2364 5.4565 5.4565 5.6553 5.6553 6.2808 6.2808 6.8268 6.8268 11.4827 11.4827 12.6781 12.6781 14.2955 14.2955 k = 0.1393 0.2413 0.3380 ( 1442 PWs) bands (ev): -13.6129 -13.6129 -13.2376 -13.2376 -1.4642 -1.4642 -1.4438 -1.4438 2.0421 2.0421 2.1669 2.1669 2.4545 2.4545 2.8280 2.8280 5.2352 5.2352 5.4523 5.4523 5.6487 5.6487 6.2885 6.2885 6.8350 6.8350 11.4336 11.4336 12.6386 12.6386 14.3036 14.3036 k = 0.1343 0.2327 0.3380 ( 1442 PWs) bands (ev): -13.6271 -13.6271 -13.2477 -13.2477 -1.4616 -1.4616 -1.4323 -1.4323 2.0526 2.0526 2.1694 2.1694 2.4905 2.4905 2.8651 2.8651 5.2341 5.2341 5.4472 5.4472 5.6413 5.6413 6.2993 6.2993 6.8436 6.8436 11.3833 11.3833 12.5960 12.5960 14.3167 14.3167 k = 0.1294 0.2240 0.3380 ( 1446 PWs) bands (ev): -13.6411 -13.6411 -13.2578 -13.2578 -1.4590 -1.4590 -1.4203 -1.4203 2.0616 2.0616 2.1709 2.1709 2.5282 2.5282 2.9018 2.9018 5.2330 5.2330 5.4412 5.4412 5.6328 5.6328 6.3133 6.3133 6.8526 6.8526 11.3320 11.3320 12.5506 12.5506 14.3344 14.3344 k = 0.1244 0.2154 0.3380 ( 1446 PWs) bands (ev): -13.6548 -13.6548 -13.2678 -13.2678 -1.4565 -1.4565 -1.4081 -1.4081 2.0692 2.0692 2.1714 2.1714 2.5675 2.5675 2.9379 2.9379 5.2319 5.2319 5.4343 5.4343 5.6235 5.6235 6.3305 6.3305 6.8618 6.8618 11.2796 11.2796 12.5029 12.5029 14.3564 14.3564 k = 0.1194 0.2068 0.3380 ( 1446 PWs) bands (ev): -13.6682 -13.6682 -13.2778 -13.2778 -1.4540 -1.4540 -1.3956 -1.3956 2.0755 2.0755 2.1710 2.1710 2.6084 2.6084 2.9735 2.9735 5.2307 5.2307 5.4265 5.4265 5.6133 5.6133 6.3506 6.3506 6.8714 6.8714 11.2264 11.2264 12.4533 12.4533 14.3821 14.3821 k = 0.1144 0.1982 0.3380 ( 1446 PWs) bands (ev): -13.6813 -13.6813 -13.2877 -13.2877 -1.4517 -1.4517 -1.3830 -1.3830 2.0806 2.0806 2.1697 2.1697 2.6506 2.6506 3.0084 3.0084 5.2295 5.2295 5.4181 5.4181 5.6022 5.6022 6.3737 6.3737 6.8811 6.8811 11.1724 11.1724 12.4023 12.4023 14.4111 14.4111 k = 0.1095 0.1896 0.3380 ( 1448 PWs) bands (ev): -13.6940 -13.6940 -13.2974 -13.2974 -1.4494 -1.4494 -1.3702 -1.3702 2.0846 2.0846 2.1675 2.1675 2.6940 2.6940 3.0426 3.0426 5.2283 5.2283 5.4090 5.4090 5.5901 5.5901 6.3995 6.3995 6.8910 6.8910 11.1175 11.1175 12.3503 12.3503 14.4429 14.4429 k = 0.1045 0.1810 0.3380 ( 1444 PWs) bands (ev): -13.7064 -13.7064 -13.3070 -13.3070 -1.4473 -1.4473 -1.3573 -1.3573 2.0876 2.0876 2.1647 2.1647 2.7385 2.7385 3.0759 3.0759 5.2269 5.2269 5.3995 5.3995 5.5772 5.5772 6.4279 6.4279 6.9010 6.9010 11.0622 11.0622 12.2977 12.2977 14.4771 14.4771 k = 0.0995 0.1723 0.3380 ( 1444 PWs) bands (ev): -13.7183 -13.7183 -13.3164 -13.3164 -1.4453 -1.4453 -1.3445 -1.3445 2.0898 2.0898 2.1611 2.1611 2.7838 2.7838 3.1082 3.1082 5.2254 5.2254 5.3896 5.3896 5.5634 5.5634 6.4585 6.4585 6.9110 6.9110 11.0063 11.0063 12.2449 12.2449 14.5132 14.5132 k = 0.0945 0.1637 0.3380 ( 1444 PWs) bands (ev): -13.7298 -13.7298 -13.3255 -13.3255 -1.4435 -1.4435 -1.3317 -1.3317 2.0912 2.0912 2.1570 2.1570 2.8298 2.8298 3.1396 3.1396 5.2238 5.2238 5.3794 5.3794 5.5488 5.5488 6.4912 6.4912 6.9209 6.9209 10.9502 10.9502 12.1923 12.1923 14.5507 14.5507 k = 0.0896 0.1551 0.3380 ( 1440 PWs) bands (ev): -13.7409 -13.7409 -13.3344 -13.3344 -1.4419 -1.4419 -1.3190 -1.3190 2.0919 2.0919 2.1523 2.1523 2.8763 2.8763 3.1699 3.1699 5.2221 5.2221 5.3692 5.3692 5.5336 5.5336 6.5257 6.5257 6.9308 6.9308 10.8940 10.8940 12.1402 12.1402 14.5893 14.5893 k = 0.0846 0.1465 0.3380 ( 1440 PWs) bands (ev): -13.7514 -13.7514 -13.3430 -13.3430 -1.4403 -1.4403 -1.3066 -1.3066 2.0921 2.0921 2.1472 2.1472 2.9229 2.9229 3.1991 3.1991 5.2201 5.2201 5.3589 5.3589 5.5177 5.5177 6.5615 6.5615 6.9404 6.9404 10.8380 10.8380 12.0890 12.0890 14.6285 14.6285 k = 0.0796 0.1379 0.3380 ( 1436 PWs) bands (ev): -13.7615 -13.7615 -13.3512 -13.3512 -1.4390 -1.4390 -1.2944 -1.2944 2.0918 2.0918 2.1418 2.1418 2.9696 2.9696 3.2270 3.2270 5.2179 5.2179 5.3487 5.3487 5.5013 5.5013 6.5985 6.5985 6.9499 6.9499 10.7823 10.7823 12.0391 12.0391 14.6680 14.6680 k = 0.0746 0.1293 0.3380 ( 1436 PWs) bands (ev): -13.7711 -13.7711 -13.3591 -13.3591 -1.4377 -1.4377 -1.2825 -1.2825 2.0911 2.0911 2.1361 2.1361 3.0159 3.0159 3.2536 3.2536 5.2153 5.2153 5.3386 5.3386 5.4847 5.4847 6.6363 6.6363 6.9591 6.9591 10.7272 10.7272 11.9906 11.9906 14.7073 14.7073 k = 0.0697 0.1206 0.3380 ( 1436 PWs) bands (ev): -13.7802 -13.7802 -13.3666 -13.3666 -1.4366 -1.4366 -1.2711 -1.2711 2.0901 2.0901 2.1302 2.1302 3.0617 3.0617 3.2789 3.2789 5.2125 5.2125 5.3287 5.3287 5.4679 5.4679 6.6745 6.6745 6.9679 6.9679 10.6731 10.6731 11.9439 11.9439 14.7460 14.7460 k = 0.0647 0.1120 0.3380 ( 1436 PWs) bands (ev): -13.7887 -13.7887 -13.3738 -13.3738 -1.4357 -1.4357 -1.2601 -1.2601 2.0888 2.0888 2.1244 2.1244 3.1067 3.1067 3.3028 3.3028 5.2094 5.2094 5.3191 5.3191 5.4513 5.4513 6.7127 6.7127 6.9764 6.9764 10.6202 10.6202 11.8993 11.8993 14.7838 14.7838 k = 0.0597 0.1034 0.3380 ( 1444 PWs) bands (ev): -13.7966 -13.7966 -13.3804 -13.3804 -1.4349 -1.4349 -1.2496 -1.2496 2.0873 2.0873 2.1185 2.1185 3.1504 3.1504 3.3251 3.3251 5.2058 5.2058 5.3097 5.3097 5.4349 5.4349 6.7504 6.7504 6.9845 6.9845 10.5690 10.5690 11.8570 11.8570 14.8203 14.8203 k = 0.0547 0.0948 0.3380 ( 1440 PWs) bands (ev): -13.8040 -13.8040 -13.3867 -13.3867 -1.4342 -1.4342 -1.2397 -1.2397 2.0857 2.0857 2.1128 2.1128 3.1927 3.1927 3.3460 3.3460 5.2021 5.2021 5.3008 5.3008 5.4192 5.4192 6.7874 6.7874 6.9922 6.9922 10.5197 10.5197 11.8172 11.8172 14.8553 14.8553 k = 0.0498 0.0862 0.3380 ( 1436 PWs) bands (ev): -13.8108 -13.8108 -13.3924 -13.3924 -1.4336 -1.4336 -1.2304 -1.2304 2.0840 2.0840 2.1073 2.1073 3.2330 3.2330 3.3654 3.3654 5.1978 5.1978 5.2923 5.2923 5.4045 5.4045 6.8231 6.8231 6.9995 6.9995 10.4727 10.4727 11.7801 11.7801 14.8884 14.8884 k = 0.0448 0.0776 0.3380 ( 1432 PWs) bands (ev): -13.8169 -13.8169 -13.3977 -13.3977 -1.4330 -1.4330 -1.2219 -1.2219 2.0823 2.0823 2.1023 2.1023 3.2711 3.2711 3.3831 3.3831 5.1933 5.1933 5.2841 5.2841 5.3909 5.3909 6.8571 6.8571 7.0063 7.0063 10.4285 10.4285 11.7460 11.7460 14.9192 14.9192 k = 0.0398 0.0689 0.3380 ( 1432 PWs) bands (ev): -13.8225 -13.8225 -13.4025 -13.4025 -1.4326 -1.4326 -1.2141 -1.2141 2.0804 2.0804 2.0976 2.0976 3.3065 3.3065 3.3992 3.3992 5.1884 5.1884 5.2763 5.2763 5.3786 5.3786 6.8887 6.8887 7.0128 7.0128 10.3874 10.3874 11.7149 11.7149 14.9476 14.9476 k = 0.0348 0.0603 0.3380 ( 1428 PWs) bands (ev): -13.8274 -13.8274 -13.4067 -13.4067 -1.4323 -1.4323 -1.2070 -1.2070 2.0786 2.0786 2.0934 2.0934 3.3387 3.3387 3.4138 3.4138 5.1834 5.1834 5.2691 5.2691 5.3679 5.3679 6.9176 6.9176 7.0191 7.0191 10.3499 10.3499 11.6872 11.6872 14.9733 14.9733 k = 0.0299 0.0517 0.3380 ( 1428 PWs) bands (ev): -13.8317 -13.8317 -13.4104 -13.4104 -1.4320 -1.4320 -1.2009 -1.2009 2.0768 2.0768 2.0898 2.0898 3.3673 3.3673 3.4268 3.4268 5.1784 5.1784 5.2624 5.2624 5.3588 5.3588 6.9430 6.9430 7.0251 7.0251 10.3164 10.3164 11.6628 11.6628 14.9960 14.9960 k = 0.0249 0.0431 0.3380 ( 1424 PWs) bands (ev): -13.8353 -13.8353 -13.4135 -13.4135 -1.4318 -1.4318 -1.1956 -1.1956 2.0750 2.0750 2.0869 2.0869 3.3918 3.3918 3.4385 3.4385 5.1735 5.1735 5.2565 5.2565 5.3513 5.3513 6.9645 6.9645 7.0311 7.0311 10.2873 10.2873 11.6420 11.6420 15.0157 15.0157 k = 0.0199 0.0345 0.3380 ( 1424 PWs) bands (ev): -13.8383 -13.8383 -13.4161 -13.4161 -1.4316 -1.4316 -1.1912 -1.1912 2.0734 2.0734 2.0846 2.0846 3.4115 3.4115 3.4488 3.4488 5.1689 5.1689 5.2515 5.2515 5.3454 5.3454 6.9815 6.9815 7.0373 7.0373 10.2629 10.2629 11.6248 11.6248 15.0319 15.0319 k = 0.0149 0.0259 0.3380 ( 1424 PWs) bands (ev): -13.8406 -13.8406 -13.4182 -13.4182 -1.4315 -1.4315 -1.1877 -1.1877 2.0719 2.0719 2.0829 2.0829 3.4263 3.4263 3.4579 3.4579 5.1650 5.1650 5.2475 5.2475 5.3409 5.3409 6.9938 6.9938 7.0434 7.0434 10.2435 10.2435 11.6114 11.6114 15.0447 15.0447 k = 0.0100 0.0172 0.3380 ( 1424 PWs) bands (ev): -13.8423 -13.8423 -13.4196 -13.4196 -1.4314 -1.4314 -1.1853 -1.1853 2.0708 2.0708 2.0817 2.0817 3.4361 3.4361 3.4653 3.4653 5.1619 5.1619 5.2446 5.2446 5.3378 5.3378 7.0017 7.0017 7.0487 7.0487 10.2295 10.2295 11.6017 11.6017 15.0539 15.0539 k = 0.0050 0.0086 0.3380 ( 1420 PWs) bands (ev): -13.8433 -13.8433 -13.4205 -13.4205 -1.4313 -1.4313 -1.1838 -1.1838 2.0701 2.0701 2.0811 2.0811 3.4416 3.4416 3.4702 3.4702 5.1601 5.1601 5.2429 5.2429 5.3360 5.3360 7.0060 7.0060 7.0524 7.0524 10.2210 10.2210 11.5959 11.5959 15.0595 15.0595 k = 0.0000 0.0000 0.3380 ( 1424 PWs) bands (ev): -13.8436 -13.8436 -13.4208 -13.4208 -1.4313 -1.4313 -1.1833 -1.1833 2.0699 2.0699 2.0808 2.0808 3.4433 3.4433 3.4720 3.4720 5.1594 5.1594 5.2423 5.2423 5.3354 5.3354 7.0073 7.0073 7.0537 7.0537 10.2182 10.2182 11.5940 11.5940 15.0614 15.0614 k = 0.5000 0.2887 0.3380 ( 1440 PWs) bands (ev): -13.3080 -13.3080 -13.0586 -13.0586 -1.8041 -1.8041 -1.4002 -1.4002 1.2537 1.2537 1.9475 1.9475 2.0002 2.0002 2.8878 2.8878 5.0217 5.0217 5.5650 5.5650 5.7102 5.7102 6.4398 6.4398 6.8212 6.8212 11.9093 11.9093 12.5122 12.5122 14.7444 14.7444 k = 0.5000 0.2887 0.3281 ( 1434 PWs) bands (ev): -13.3082 -13.3082 -13.0585 -13.0585 -1.8036 -1.8036 -1.3987 -1.3987 1.2512 1.2512 1.9473 1.9473 2.0005 2.0005 2.8872 2.8872 5.0217 5.0217 5.5650 5.5650 5.7103 5.7103 6.4399 6.4399 6.8216 6.8216 11.9039 11.9039 12.5197 12.5197 14.7421 14.7421 k = 0.5000 0.2887 0.3181 ( 1430 PWs) bands (ev): -13.3088 -13.3088 -13.0580 -13.0580 -1.8021 -1.8021 -1.3944 -1.3944 1.2435 1.2435 1.9468 1.9468 2.0017 2.0017 2.8853 2.8853 5.0214 5.0214 5.5651 5.5651 5.7104 5.7104 6.4399 6.4399 6.8230 6.8230 11.8884 11.8884 12.5412 12.5412 14.7351 14.7351 k = 0.5000 0.2887 0.3082 ( 1428 PWs) bands (ev): -13.3097 -13.3097 -13.0573 -13.0573 -1.7996 -1.7996 -1.3872 -1.3872 1.2309 1.2309 1.9457 1.9457 2.0035 2.0035 2.8823 2.8823 5.0209 5.0209 5.5652 5.5652 5.7106 5.7106 6.4399 6.4399 6.8252 6.8252 11.8650 11.8650 12.5745 12.5745 14.7237 14.7237 k = 0.5000 0.2887 0.2982 ( 1436 PWs) bands (ev): -13.3110 -13.3110 -13.0563 -13.0563 -1.7961 -1.7961 -1.3773 -1.3773 1.2136 1.2136 1.9441 1.9441 2.0061 2.0061 2.8779 2.8779 5.0201 5.0201 5.5652 5.5652 5.7107 5.7107 6.4397 6.4397 6.8280 6.8280 11.8363 11.8363 12.6169 12.6169 14.7082 14.7082 k = 0.5000 0.2887 0.2883 ( 1438 PWs) bands (ev): -13.3127 -13.3127 -13.0551 -13.0551 -1.7916 -1.7916 -1.3648 -1.3648 1.1917 1.1917 1.9417 1.9417 2.0094 2.0094 2.8724 2.8724 5.0191 5.0191 5.5653 5.5653 5.7109 5.7109 6.4396 6.4396 6.8319 6.8319 11.8048 11.8048 12.6660 12.6660 14.6892 14.6892 k = 0.5000 0.2887 0.2784 ( 1438 PWs) bands (ev): -13.3146 -13.3146 -13.0536 -13.0536 -1.7859 -1.7859 -1.3497 -1.3497 1.1657 1.1657 1.9384 1.9384 2.0134 2.0134 2.8658 2.8658 5.0179 5.0179 5.5654 5.5654 5.7111 5.7111 6.4393 6.4393 6.8365 6.8365 11.7722 11.7722 12.7196 12.7196 14.6670 14.6670 k = 0.5000 0.2887 0.2684 ( 1446 PWs) bands (ev): -13.3168 -13.3168 -13.0519 -13.0519 -1.7790 -1.7790 -1.3322 -1.3322 1.1359 1.1359 1.9340 1.9340 2.0181 2.0181 2.8579 2.8579 5.0164 5.0164 5.5654 5.5654 5.7114 5.7114 6.4389 6.4389 6.8418 6.8418 11.7399 11.7399 12.7763 12.7763 14.6423 14.6423 k = 0.5000 0.2887 0.2585 ( 1446 PWs) bands (ev): -13.3193 -13.3193 -13.0500 -13.0500 -1.7709 -1.7709 -1.3124 -1.3124 1.1025 1.1025 1.9283 1.9283 2.0236 2.0236 2.8490 2.8490 5.0149 5.0149 5.5656 5.5656 5.7117 5.7117 6.4383 6.4383 6.8478 6.8478 11.7090 11.7090 12.8349 12.8349 14.6155 14.6155 k = 0.5000 0.2887 0.2485 ( 1446 PWs) bands (ev): -13.3220 -13.3220 -13.0479 -13.0479 -1.7615 -1.7615 -1.2905 -1.2905 1.0661 1.0661 1.9212 1.9212 2.0298 2.0298 2.8390 2.8390 5.0131 5.0131 5.5657 5.5657 5.7121 5.7121 6.4375 6.4375 6.8545 6.8545 11.6801 11.6801 12.8942 12.8942 14.5871 14.5871 k = 0.5000 0.2887 0.2386 ( 1446 PWs) bands (ev): -13.3249 -13.3249 -13.0458 -13.0458 -1.7508 -1.7508 -1.2666 -1.2666 1.0268 1.0268 1.9127 1.9127 2.0367 2.0367 2.8280 2.8280 5.0113 5.0113 5.5658 5.5658 5.7125 5.7125 6.4365 6.4365 6.8618 6.8618 11.6538 11.6538 12.9535 12.9535 14.5576 14.5576 k = 0.5000 0.2887 0.2287 ( 1446 PWs) bands (ev): -13.3280 -13.3280 -13.0435 -13.0435 -1.7388 -1.7388 -1.2410 -1.2410 0.9851 0.9851 1.9025 1.9025 2.0442 2.0442 2.8160 2.8160 5.0092 5.0092 5.5660 5.5660 5.7129 5.7129 6.4353 6.4353 6.8696 6.8696 11.6305 11.6305 13.0120 13.0120 14.5275 14.5275 k = 0.5000 0.2887 0.2187 ( 1444 PWs) bands (ev): -13.3311 -13.3311 -13.0411 -13.0411 -1.7255 -1.7255 -1.2138 -1.2138 0.9413 0.9413 1.8908 1.8908 2.0525 2.0525 2.8031 2.8031 5.0071 5.0071 5.5661 5.5661 5.7133 5.7133 6.4338 6.4338 6.8778 6.8778 11.6103 11.6103 13.0691 13.0691 14.4972 14.4972 k = 0.5000 0.2887 0.2088 ( 1444 PWs) bands (ev): -13.3344 -13.3344 -13.0387 -13.0387 -1.7109 -1.7109 -1.1851 -1.1851 0.8957 0.8957 1.8774 1.8774 2.0614 2.0614 2.7893 2.7893 5.0048 5.0048 5.5662 5.5662 5.7138 5.7138 6.4319 6.4319 6.8865 6.8865 11.5935 11.5935 13.1242 13.1242 14.4672 14.4672 k = 0.5000 0.2887 0.1988 ( 1442 PWs) bands (ev): -13.3377 -13.3377 -13.0362 -13.0362 -1.6950 -1.6950 -1.1552 -1.1552 0.8486 0.8486 1.8625 1.8625 2.0711 2.0711 2.7747 2.7747 5.0024 5.0024 5.5664 5.5664 5.7143 5.7143 6.4298 6.4298 6.8954 6.8954 11.5800 11.5800 13.1768 13.1768 14.4379 14.4379 k = 0.5000 0.2887 0.1889 ( 1438 PWs) bands (ev): -13.3411 -13.3411 -13.0338 -13.0338 -1.6778 -1.6778 -1.1243 -1.1243 0.8004 0.8004 1.8461 1.8461 2.0813 2.0813 2.7593 2.7593 5.0000 5.0000 5.5665 5.5665 5.7147 5.7147 6.4273 6.4273 6.9046 6.9046 11.5699 11.5699 13.2262 13.2262 14.4097 14.4097 k = 0.5000 0.2887 0.1789 ( 1438 PWs) bands (ev): -13.3444 -13.3444 -13.0313 -13.0313 -1.6595 -1.6595 -1.0926 -1.0926 0.7514 0.7514 1.8283 1.8283 2.0922 2.0922 2.7432 2.7432 4.9974 4.9974 5.5667 5.5667 5.7151 5.7151 6.4246 6.4246 6.9138 6.9138 11.5631 11.5631 13.2721 13.2721 14.3832 14.3832 k = 0.5000 0.2887 0.1690 ( 1438 PWs) bands (ev): -13.3477 -13.3477 -13.0289 -13.0289 -1.6401 -1.6401 -1.0602 -1.0602 0.7018 0.7018 1.8093 1.8093 2.1038 2.1038 2.7265 2.7265 4.9948 4.9948 5.5668 5.5668 5.7155 5.7155 6.4216 6.4216 6.9232 6.9232 11.5595 11.5595 13.3139 13.3139 14.3587 14.3587 k = 0.5000 0.2887 0.1591 ( 1438 PWs) bands (ev): -13.3510 -13.3510 -13.0266 -13.0266 -1.6197 -1.6197 -1.0276 -1.0276 0.6520 0.6520 1.7891 1.7891 2.1159 2.1159 2.7092 2.7092 4.9923 4.9923 5.5669 5.5669 5.7159 5.7159 6.4183 6.4183 6.9325 6.9325 11.5588 11.5588 13.3511 13.3511 14.3366 14.3366 k = 0.5000 0.2887 0.1491 ( 1438 PWs) bands (ev): -13.3542 -13.3542 -13.0243 -13.0243 -1.5984 -1.5984 -0.9947 -0.9947 0.6023 0.6023 1.7681 1.7681 2.1286 2.1286 2.6914 2.6914 4.9897 4.9897 5.5669 5.5669 5.7162 5.7162 6.4149 6.4149 6.9417 6.9417 11.5609 11.5609 13.3835 13.3835 14.3173 14.3173 k = 0.5000 0.2887 0.1392 ( 1430 PWs) bands (ev): -13.3573 -13.3573 -13.0221 -13.0221 -1.5764 -1.5764 -0.9620 -0.9620 0.5530 0.5530 1.7464 1.7464 2.1420 2.1420 2.6731 2.6731 4.9873 4.9873 5.5671 5.5671 5.7167 5.7167 6.4113 6.4113 6.9509 6.9509 11.5655 11.5655 13.4108 13.4108 14.3011 14.3011 k = 0.5000 0.2887 0.1292 ( 1432 PWs) bands (ev): -13.3603 -13.3603 -13.0200 -13.0200 -1.5539 -1.5539 -0.9297 -0.9297 0.5045 0.5045 1.7242 1.7242 2.1558 2.1558 2.6545 2.6545 4.9847 4.9847 5.5671 5.5671 5.7170 5.7170 6.4075 6.4075 6.9597 6.9597 11.5722 11.5722 13.4329 13.4329 14.2881 14.2881 k = 0.5000 0.2887 0.1193 ( 1436 PWs) bands (ev): -13.3631 -13.3631 -13.0180 -13.0180 -1.5311 -1.5311 -0.8981 -0.8981 0.4572 0.4572 1.7018 1.7018 2.1701 2.1701 2.6355 2.6355 4.9823 4.9823 5.5671 5.5671 5.7173 5.7173 6.4037 6.4037 6.9682 6.9682 11.5808 11.5808 13.4499 13.4499 14.2783 14.2783 k = 0.5000 0.2887 0.1094 ( 1428 PWs) bands (ev): -13.3658 -13.3658 -13.0162 -13.0162 -1.5081 -1.5081 -0.8674 -0.8674 0.4113 0.4113 1.6795 1.6795 2.1850 2.1850 2.6162 2.6162 4.9800 4.9800 5.5672 5.5672 5.7176 5.7176 6.4000 6.4000 6.9763 6.9763 11.5909 11.5909 13.4621 13.4621 14.2718 14.2718 k = 0.5000 0.2887 0.0994 ( 1432 PWs) bands (ev): -13.3683 -13.3683 -13.0144 -13.0144 -1.4854 -1.4854 -0.8381 -0.8381 0.3673 0.3673 1.6576 1.6576 2.2003 2.2003 2.5967 2.5967 4.9778 4.9778 5.5672 5.5672 5.7178 5.7178 6.3963 6.3963 6.9839 6.9839 11.6020 11.6020 13.4698 13.4698 14.2680 14.2680 k = 0.5000 0.2887 0.0895 ( 1432 PWs) bands (ev): -13.3706 -13.3706 -13.0129 -13.0129 -1.4631 -1.4631 -0.8103 -0.8103 0.3256 0.3256 1.6365 1.6365 2.2160 2.2160 2.5772 2.5772 4.9758 4.9758 5.5672 5.5672 5.7181 5.7181 6.3927 6.3927 6.9910 6.9910 11.6137 11.6137 13.4738 13.4738 14.2666 14.2666 k = 0.5000 0.2887 0.0795 ( 1432 PWs) bands (ev): -13.3727 -13.3727 -13.0114 -13.0114 -1.4416 -1.4416 -0.7844 -0.7844 0.2866 0.2866 1.6164 1.6164 2.2320 2.2320 2.5576 2.5576 4.9739 4.9739 5.5672 5.5672 5.7183 5.7183 6.3894 6.3894 6.9975 6.9975 11.6258 11.6258 13.4746 13.4746 14.2672 14.2672 k = 0.5000 0.2887 0.0696 ( 1432 PWs) bands (ev): -13.3745 -13.3745 -13.0101 -13.0101 -1.4214 -1.4214 -0.7607 -0.7607 0.2508 0.2508 1.5977 1.5977 2.2484 2.2484 2.5381 2.5381 4.9722 4.9722 5.5672 5.5672 5.7185 5.7185 6.3862 6.3862 7.0034 7.0034 11.6376 11.6376 13.4732 13.4732 14.2692 14.2692 k = 0.5000 0.2887 0.0596 ( 1432 PWs) bands (ev): -13.3762 -13.3762 -13.0090 -13.0090 -1.4026 -1.4026 -0.7395 -0.7395 0.2185 0.2185 1.5806 1.5806 2.2648 2.2648 2.5188 2.5188 4.9706 4.9706 5.5672 5.5672 5.7186 5.7186 6.3834 6.3834 7.0086 7.0086 11.6489 11.6489 13.4701 13.4701 14.2720 14.2720 k = 0.5000 0.2887 0.0497 ( 1428 PWs) bands (ev): -13.3776 -13.3776 -13.0080 -13.0080 -1.3859 -1.3859 -0.7210 -0.7210 0.1903 0.1903 1.5656 1.5656 2.2813 2.2813 2.4999 2.4999 4.9694 4.9694 5.5673 5.5673 5.7188 5.7188 6.3810 6.3810 7.0131 7.0131 11.6592 11.6592 13.4662 13.4662 14.2752 14.2752 k = 0.5000 0.2887 0.0398 ( 1428 PWs) bands (ev): -13.3787 -13.3787 -13.0072 -13.0072 -1.3714 -1.3714 -0.7056 -0.7056 0.1666 0.1666 1.5529 1.5529 2.2975 2.2975 2.4818 2.4818 4.9683 4.9683 5.5673 5.5673 5.7189 5.7189 6.3789 6.3789 7.0168 7.0168 11.6682 11.6682 13.4621 13.4621 14.2784 14.2784 k = 0.5000 0.2887 0.0298 ( 1428 PWs) bands (ev): -13.3797 -13.3797 -13.0066 -13.0066 -1.3598 -1.3598 -0.6934 -0.6934 0.1476 0.1476 1.5427 1.5427 2.3128 2.3128 2.4648 2.4648 4.9675 4.9675 5.5673 5.5673 5.7190 5.7190 6.3772 6.3772 7.0198 7.0198 11.6755 11.6755 13.4583 13.4583 14.2812 14.2812 k = 0.5000 0.2887 0.0199 ( 1438 PWs) bands (ev): -13.3803 -13.3803 -13.0062 -13.0062 -1.3512 -1.3512 -0.6845 -0.6845 0.1338 0.1338 1.5352 1.5352 2.3263 2.3263 2.4501 2.4501 4.9668 4.9668 5.5672 5.5672 5.7189 5.7189 6.3760 6.3760 7.0218 7.0218 11.6809 11.6809 13.4552 13.4552 14.2834 14.2834 k = 0.5000 0.2887 0.0099 ( 1430 PWs) bands (ev): -13.3807 -13.3807 -13.0059 -13.0059 -1.3459 -1.3459 -0.6791 -0.6791 0.1255 0.1255 1.5307 1.5307 2.3365 2.3365 2.4394 2.4394 4.9664 4.9664 5.5673 5.5673 5.7190 5.7190 6.3754 6.3754 7.0231 7.0231 11.6843 11.6843 13.4533 13.4533 14.2848 14.2848 k = 0.5000 0.2887-0.0000 ( 1438 PWs) bands (ev): -13.3809 -13.3809 -13.0058 -13.0058 -1.3442 -1.3442 -0.6774 -0.6774 0.1227 0.1227 1.5292 1.5292 2.3404 2.3404 2.4353 2.4353 4.9662 4.9662 5.5672 5.5672 5.7189 5.7189 6.3750 6.3750 7.0235 7.0235 11.6854 11.6854 13.4526 13.4526 14.2853 14.2853 k = 0.3333 0.5774-0.0000 ( 1440 PWs) bands (ev): -13.1418 -13.1418 -13.1400 -13.1400 -0.9785 -0.9785 -0.9766 -0.9766 0.6464 0.6464 1.2533 1.2533 1.2570 1.2570 2.6670 2.6670 5.3646 5.3646 5.4953 5.4953 5.6660 5.6660 6.3168 6.3168 6.3765 6.3765 13.1254 13.1254 13.1377 13.1377 14.8511 14.8511 k = 0.3333 0.5774 0.0099 ( 1446 PWs) bands (ev): -13.1418 -13.1418 -13.1400 -13.1400 -0.9797 -0.9797 -0.9779 -0.9779 0.6472 0.6472 1.2547 1.2547 1.2584 1.2584 2.6657 2.6657 5.3646 5.3646 5.4952 5.4952 5.6658 5.6658 6.3176 6.3176 6.3772 6.3772 13.1249 13.1249 13.1371 13.1371 14.8512 14.8512 k = 0.3333 0.5774 0.0199 ( 1440 PWs) bands (ev): -13.1417 -13.1417 -13.1399 -13.1399 -0.9833 -0.9833 -0.9815 -0.9815 0.6498 0.6498 1.2590 1.2590 1.2626 1.2626 2.6619 2.6619 5.3649 5.3649 5.4949 5.4949 5.6654 5.6654 6.3202 6.3202 6.3795 6.3795 13.1235 13.1235 13.1356 13.1356 14.8516 14.8516 k = 0.3333 0.5774 0.0298 ( 1440 PWs) bands (ev): -13.1416 -13.1416 -13.1398 -13.1398 -0.9894 -0.9894 -0.9875 -0.9875 0.6540 0.6540 1.2659 1.2659 1.2695 1.2695 2.6555 2.6555 5.3652 5.3652 5.4944 5.4944 5.6645 5.6645 6.3244 6.3244 6.3833 6.3833 13.1212 13.1212 13.1331 13.1331 14.8522 14.8522 k = 0.3333 0.5774 0.0398 ( 1440 PWs) bands (ev): -13.1414 -13.1414 -13.1396 -13.1396 -0.9977 -0.9977 -0.9957 -0.9957 0.6600 0.6600 1.2756 1.2756 1.2791 1.2791 2.6467 2.6467 5.3657 5.3657 5.4937 5.4937 5.6634 5.6634 6.3302 6.3302 6.3885 6.3885 13.1179 13.1179 13.1295 13.1295 14.8530 14.8530 k = 0.3333 0.5774 0.0497 ( 1440 PWs) bands (ev): -13.1412 -13.1412 -13.1394 -13.1394 -1.0081 -1.0081 -1.0061 -1.0061 0.6677 0.6677 1.2877 1.2877 1.2912 1.2912 2.6353 2.6353 5.3664 5.3664 5.4929 5.4929 5.6620 5.6620 6.3376 6.3376 6.3951 6.3951 13.1137 13.1137 13.1249 13.1249 14.8540 14.8540 k = 0.3333 0.5774 0.0596 ( 1440 PWs) bands (ev): -13.1409 -13.1409 -13.1392 -13.1392 -1.0206 -1.0206 -1.0184 -1.0184 0.6770 0.6770 1.3021 1.3021 1.3055 1.3055 2.6215 2.6215 5.3672 5.3672 5.4919 5.4919 5.6603 5.6603 6.3465 6.3465 6.4032 6.4032 13.1086 13.1086 13.1194 13.1194 14.8551 14.8551 k = 0.3333 0.5774 0.0696 ( 1434 PWs) bands (ev): -13.1406 -13.1406 -13.1389 -13.1389 -1.0348 -1.0348 -1.0325 -1.0325 0.6880 0.6880 1.3187 1.3187 1.3220 1.3220 2.6054 2.6054 5.3680 5.3680 5.4908 5.4908 5.6585 5.6585 6.3569 6.3569 6.4126 6.4126 13.1027 13.1027 13.1128 13.1128 14.8563 14.8563 k = 0.3333 0.5774 0.0795 ( 1434 PWs) bands (ev): -13.1403 -13.1403 -13.1385 -13.1385 -1.0507 -1.0507 -1.0483 -1.0483 0.7006 0.7006 1.3372 1.3372 1.3404 1.3404 2.5869 2.5869 5.3690 5.3690 5.4895 5.4895 5.6564 5.6564 6.3686 6.3686 6.4232 6.4232 13.0958 13.0958 13.1054 13.1054 14.8574 14.8574 k = 0.3333 0.5774 0.0895 ( 1434 PWs) bands (ev): -13.1399 -13.1399 -13.1382 -13.1382 -1.0680 -1.0680 -1.0654 -1.0654 0.7149 0.7149 1.3573 1.3573 1.3604 1.3604 2.5662 2.5662 5.3701 5.3701 5.4881 5.4881 5.6542 5.6542 6.3816 6.3816 6.4350 6.4350 13.0881 13.0881 13.0970 13.0970 14.8585 14.8585 k = 0.3333 0.5774 0.0994 ( 1440 PWs) bands (ev): -13.1395 -13.1395 -13.1378 -13.1378 -1.0865 -1.0865 -1.0838 -1.0838 0.7308 0.7308 1.3789 1.3789 1.3819 1.3819 2.5434 2.5434 5.3711 5.3711 5.4866 5.4866 5.6518 5.6518 6.3957 6.3957 6.4479 6.4479 13.0796 13.0796 13.0877 13.0877 14.8594 14.8594 k = 0.3333 0.5774 0.1094 ( 1434 PWs) bands (ev): -13.1391 -13.1391 -13.1373 -13.1373 -1.1060 -1.1060 -1.1031 -1.1031 0.7482 0.7482 1.4017 1.4017 1.4046 1.4046 2.5185 2.5185 5.3724 5.3724 5.4851 5.4851 5.6494 5.6494 6.4110 6.4110 6.4619 6.4619 13.0704 13.0704 13.0776 13.0776 14.8600 14.8600 k = 0.3333 0.5774 0.1193 ( 1431 PWs) bands (ev): -13.1386 -13.1386 -13.1369 -13.1369 -1.1262 -1.1262 -1.1232 -1.1232 0.7672 0.7672 1.4254 1.4254 1.4281 1.4281 2.4916 2.4916 5.3738 5.3738 5.4835 5.4835 5.6470 5.6470 6.4272 6.4272 6.4768 6.4768 13.0604 13.0604 13.0667 13.0667 14.8603 14.8603 k = 0.3333 0.5774 0.1292 ( 1431 PWs) bands (ev): -13.1381 -13.1381 -13.1364 -13.1364 -1.1470 -1.1470 -1.1438 -1.1438 0.7877 0.7877 1.4497 1.4497 1.4524 1.4524 2.4629 2.4629 5.3753 5.3753 5.4818 5.4818 5.6444 5.6444 6.4441 6.4441 6.4924 6.4924 13.0497 13.0497 13.0550 13.0550 14.8600 14.8600 k = 0.3333 0.5774 0.1392 ( 1431 PWs) bands (ev): -13.1376 -13.1376 -13.1359 -13.1359 -1.1681 -1.1681 -1.1648 -1.1648 0.8097 0.8097 1.4745 1.4745 1.4771 1.4771 2.4325 2.4325 5.3768 5.3768 5.4802 5.4802 5.6419 5.6419 6.4617 6.4617 6.5087 6.5087 13.0384 13.0384 13.0427 13.0427 14.8592 14.8592 k = 0.3333 0.5774 0.1491 ( 1437 PWs) bands (ev): -13.1371 -13.1371 -13.1354 -13.1354 -1.1894 -1.1894 -1.1859 -1.1859 0.8331 0.8331 1.4995 1.4995 1.5020 1.5020 2.4004 2.4004 5.3782 5.3782 5.4784 5.4784 5.6394 5.6394 6.4799 6.4799 6.5256 6.5256 13.0265 13.0265 13.0298 13.0298 14.8578 14.8578 k = 0.3333 0.5774 0.1591 ( 1437 PWs) bands (ev): -13.1366 -13.1366 -13.1349 -13.1349 -1.2106 -1.2106 -1.2070 -1.2070 0.8578 0.8578 1.5245 1.5245 1.5269 1.5269 2.3668 2.3668 5.3796 5.3796 5.4767 5.4767 5.6370 5.6370 6.4986 6.4986 6.5430 6.5430 13.0143 13.0143 13.0164 13.0164 14.8555 14.8555 k = 0.3333 0.5774 0.1690 ( 1437 PWs) bands (ev): -13.1361 -13.1361 -13.1344 -13.1344 -1.2316 -1.2316 -1.2279 -1.2279 0.8839 0.8839 1.5493 1.5493 1.5516 1.5516 2.3319 2.3319 5.3811 5.3811 5.4751 5.4751 5.6346 5.6346 6.5175 6.5175 6.5606 6.5606 13.0016 13.0016 13.0026 13.0026 14.8525 14.8525 k = 0.3333 0.5774 0.1789 ( 1437 PWs) bands (ev): -13.1356 -13.1356 -13.1339 -13.1339 -1.2523 -1.2523 -1.2484 -1.2484 0.9113 0.9113 1.5737 1.5737 1.5759 1.5759 2.2958 2.2958 5.3825 5.3825 5.4735 5.4735 5.6324 5.6324 6.5365 6.5365 6.5784 6.5784 12.9886 12.9886 12.9887 12.9887 14.8486 14.8486 k = 0.3333 0.5774 0.1889 ( 1437 PWs) bands (ev): -13.1350 -13.1350 -13.1333 -13.1333 -1.2724 -1.2724 -1.2683 -1.2683 0.9398 0.9398 1.5974 1.5974 1.5996 1.5996 2.2585 2.2585 5.3839 5.3839 5.4720 5.4720 5.6302 5.6302 6.5555 6.5555 6.5963 6.5963 12.9743 12.9743 12.9756 12.9756 14.8440 14.8440 k = 0.3333 0.5774 0.1988 ( 1437 PWs) bands (ev): -13.1345 -13.1345 -13.1328 -13.1328 -1.2918 -1.2918 -1.2876 -1.2876 0.9694 0.9694 1.6204 1.6204 1.6225 1.6225 2.2204 2.2204 5.3853 5.3853 5.4706 5.4706 5.6282 5.6282 6.5743 6.5743 6.6139 6.6139 12.9600 12.9600 12.9624 12.9624 14.8385 14.8385 k = 0.3333 0.5774 0.2088 ( 1440 PWs) bands (ev): -13.1340 -13.1340 -13.1323 -13.1323 -1.3104 -1.3104 -1.3061 -1.3061 1.0001 1.0001 1.6425 1.6425 1.6445 1.6445 2.1815 2.1815 5.3865 5.3865 5.4692 5.4692 5.6263 5.6263 6.5928 6.5928 6.6313 6.6313 12.9457 12.9457 12.9493 12.9493 14.8324 14.8324 k = 0.3333 0.5774 0.2187 ( 1440 PWs) bands (ev): -13.1335 -13.1335 -13.1318 -13.1318 -1.3282 -1.3282 -1.3237 -1.3237 1.0316 1.0316 1.6635 1.6635 1.6655 1.6655 2.1420 2.1420 5.3878 5.3878 5.4678 5.4678 5.6245 5.6245 6.6107 6.6107 6.6482 6.6482 12.9317 12.9317 12.9364 12.9364 14.8258 14.8258 k = 0.3333 0.5774 0.2287 ( 1440 PWs) bands (ev): -13.1331 -13.1331 -13.1314 -13.1314 -1.3448 -1.3448 -1.3403 -1.3403 1.0639 1.0639 1.6832 1.6832 1.6852 1.6852 2.1021 2.1021 5.3890 5.3890 5.4666 5.4666 5.6229 5.6229 6.6280 6.6280 6.6645 6.6645 12.9181 12.9181 12.9239 12.9239 14.8189 14.8189 k = 0.3333 0.5774 0.2386 ( 1437 PWs) bands (ev): -13.1326 -13.1326 -13.1310 -13.1310 -1.3603 -1.3603 -1.3557 -1.3557 1.0968 1.0968 1.7017 1.7017 1.7036 1.7036 2.0621 2.0621 5.3903 5.3903 5.4655 5.4655 5.6214 5.6214 6.6444 6.6444 6.6800 6.6800 12.9050 12.9050 12.9118 12.9118 14.8118 14.8118 k = 0.3333 0.5774 0.2485 ( 1443 PWs) bands (ev): -13.1322 -13.1322 -13.1306 -13.1306 -1.3747 -1.3747 -1.3700 -1.3700 1.1301 1.1301 1.7186 1.7186 1.7205 1.7205 2.0222 2.0222 5.3913 5.3913 5.4644 5.4644 5.6200 5.6200 6.6597 6.6597 6.6946 6.6946 12.8925 12.8925 12.9004 12.9004 14.8047 14.8047 k = 0.3333 0.5774 0.2585 ( 1446 PWs) bands (ev): -13.1319 -13.1319 -13.1302 -13.1302 -1.3877 -1.3877 -1.3829 -1.3829 1.1635 1.1635 1.7341 1.7341 1.7360 1.7360 1.9828 1.9828 5.3921 5.3921 5.4634 5.4634 5.6186 5.6186 6.6741 6.6741 6.7082 6.7082 12.8809 12.8809 12.8897 12.8897 14.7978 14.7978 k = 0.3333 0.5774 0.2684 ( 1446 PWs) bands (ev): -13.1315 -13.1315 -13.1299 -13.1299 -1.3994 -1.3994 -1.3945 -1.3945 1.1966 1.1966 1.7479 1.7479 1.7498 1.7498 1.9442 1.9442 5.3930 5.3930 5.4626 5.4626 5.6176 5.6176 6.6870 6.6870 6.7205 6.7205 12.8703 12.8703 12.8799 12.8799 14.7913 14.7913 k = 0.3333 0.5774 0.2784 ( 1455 PWs) bands (ev): -13.1312 -13.1312 -13.1296 -13.1296 -1.4096 -1.4096 -1.4047 -1.4047 1.2290 1.2290 1.7598 1.7598 1.7619 1.7619 1.9071 1.9071 5.3937 5.3937 5.4618 5.4618 5.6166 5.6166 6.6985 6.6985 6.7313 6.7313 12.8607 12.8607 12.8710 12.8710 14.7854 14.7854 k = 0.3333 0.5774 0.2883 ( 1455 PWs) bands (ev): -13.1310 -13.1310 -13.1293 -13.1293 -1.4183 -1.4183 -1.4133 -1.4133 1.2600 1.2600 1.7700 1.7700 1.7722 1.7722 1.8721 1.8721 5.3944 5.3944 5.4612 5.4612 5.6158 5.6158 6.7084 6.7084 6.7408 6.7408 12.8523 12.8523 12.8634 12.8634 14.7801 14.7801 k = 0.3333 0.5774 0.2982 ( 1449 PWs) bands (ev): -13.1308 -13.1308 -13.1291 -13.1291 -1.4255 -1.4255 -1.4205 -1.4205 1.2887 1.2887 1.7783 1.7783 1.7808 1.7808 1.8403 1.8403 5.3950 5.3950 5.4607 5.4607 5.6152 5.6152 6.7168 6.7168 6.7488 6.7488 12.8454 12.8454 12.8570 12.8570 14.7757 14.7757 k = 0.3333 0.5774 0.3082 ( 1449 PWs) bands (ev): -13.1306 -13.1306 -13.1289 -13.1289 -1.4312 -1.4312 -1.4261 -1.4261 1.3138 1.3138 1.7838 1.7838 1.7875 1.7875 1.8136 1.8136 5.3954 5.3954 5.4603 5.4603 5.6147 5.6147 6.7234 6.7234 6.7550 6.7550 12.8399 12.8399 12.8519 12.8519 14.7721 14.7721 k = 0.3333 0.5774 0.3181 ( 1449 PWs) bands (ev): -13.1305 -13.1305 -13.1288 -13.1288 -1.4352 -1.4352 -1.4301 -1.4301 1.3339 1.3339 1.7824 1.7824 1.7923 1.7923 1.7979 1.7979 5.3957 5.3957 5.4600 5.4600 5.6143 5.6143 6.7281 6.7281 6.7595 6.7595 12.8359 12.8359 12.8483 12.8483 14.7695 14.7695 k = 0.3333 0.5774 0.3281 ( 1455 PWs) bands (ev): -13.1304 -13.1304 -13.1287 -13.1287 -1.4377 -1.4377 -1.4325 -1.4325 1.3469 1.3469 1.7724 1.7724 1.7952 1.7952 1.7965 1.7965 5.3957 5.3957 5.4598 5.4598 5.6141 5.6141 6.7309 6.7309 6.7622 6.7622 12.8335 12.8335 12.8460 12.8460 14.7679 14.7679 k = 0.3333 0.5774 0.3380 ( 1446 PWs) bands (ev): -13.1304 -13.1304 -13.1287 -13.1287 -1.4384 -1.4384 -1.4333 -1.4333 1.3515 1.3515 1.7681 1.7681 1.7962 1.7962 1.7969 1.7969 5.3959 5.3959 5.4599 5.4599 5.6141 5.6141 6.7320 6.7320 6.7632 6.7632 12.8327 12.8327 12.8453 12.8453 14.7674 14.7674 Writing output data file NixHOx2.save init_run : 0.15s CPU 0.28s WALL ( 1 calls) electrons : 62.73s CPU 64.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 62.73s CPU 64.09s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 429 calls) cegterg : 54.03s CPU 55.01s WALL ( 507 calls) Called by sum_band: Called by *egterg: h_psi : 26.85s CPU 27.72s WALL ( 8502 calls) s_psi : 0.90s CPU 0.88s WALL ( 8502 calls) g_psi : 0.05s CPU 0.06s WALL ( 7566 calls) cdiaghg : 25.91s CPU 26.11s WALL ( 7995 calls) cegterg:over : 1.56s CPU 1.61s WALL ( 7566 calls) cegterg:upda : 1.11s CPU 1.08s WALL ( 7566 calls) cegterg:last : 0.58s CPU 0.63s WALL ( 1352 calls) cdiaghg:chol : 1.32s CPU 1.30s WALL ( 7995 calls) cdiaghg:inve : 0.48s CPU 0.54s WALL ( 7995 calls) cdiaghg:para : 1.71s CPU 1.61s WALL ( 15990 calls) Called by h_psi: h_psi:vloc : 24.61s CPU 25.27s WALL ( 8502 calls) h_psi:vnl : 2.20s CPU 2.41s WALL ( 8502 calls) add_vuspsi : 1.07s CPU 1.15s WALL ( 8502 calls) General routines calbec : 1.12s CPU 1.24s WALL ( 8502 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.20s CPU 23.85s WALL ( 539600 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 858 calls) Parallel routines fft_scatter : 10.10s CPU 10.47s WALL ( 539623 calls) PWSCF : 1m11.78s CPU 1m24.70s WALL This run was terminated on: 19:10:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=