Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:29: 9 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: ./Hf.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 13 4 614 369 62 Max 19 14 5 625 382 67 Sum 673 499 151 22261 13537 2333 bravais-lattice index = 14 lattice parameter (alat) = 6.0442 a.u. unit-cell volume = 302.6403 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.044194 celldm(2)= 1.000000 celldm(3)= 1.582635 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 1.582635 ) 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 0.631857 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Hf 12.00 178.49000 Hf( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7913177 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7913177 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7913177 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7913177 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7913177 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7913177 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7913177 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7913177 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7913177 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7913177 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7913177 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7913177 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 417 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023981 k( 2) = ( 0.0087719 0.0050645 -0.0000000), wk = 0.0023981 k( 3) = ( 0.0175439 0.0101290 -0.0000000), wk = 0.0023981 k( 4) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0023981 k( 5) = ( 0.0350877 0.0202579 -0.0000000), wk = 0.0023981 k( 6) = ( 0.0438597 0.0253224 -0.0000000), wk = 0.0023981 k( 7) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0023981 k( 8) = ( 0.0614035 0.0354513 -0.0000000), wk = 0.0023981 k( 9) = ( 0.0701754 0.0405158 -0.0000000), wk = 0.0023981 k( 10) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0023981 k( 11) = ( 0.0877193 0.0506448 -0.0000000), wk = 0.0023981 k( 12) = ( 0.0964912 0.0557092 -0.0000000), wk = 0.0023981 k( 13) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0023981 k( 14) = ( 0.1140351 0.0658382 -0.0000000), wk = 0.0023981 k( 15) = ( 0.1228070 0.0709027 -0.0000000), wk = 0.0023981 k( 16) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0023981 k( 17) = ( 0.1403509 0.0810316 -0.0000000), wk = 0.0023981 k( 18) = ( 0.1491228 0.0860961 -0.0000000), wk = 0.0023981 k( 19) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0023981 k( 20) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0023981 k( 21) = ( 0.1754386 0.1012895 -0.0000000), wk = 0.0023981 k( 22) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0023981 k( 23) = ( 0.1929825 0.1114185 -0.0000000), wk = 0.0023981 k( 24) = ( 0.2017544 0.1164830 -0.0000000), wk = 0.0023981 k( 25) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0023981 k( 26) = ( 0.2192983 0.1266119 -0.0000000), wk = 0.0023981 k( 27) = ( 0.2280702 0.1316764 -0.0000000), wk = 0.0023981 k( 28) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0023981 k( 29) = ( 0.2456140 0.1418053 -0.0000000), wk = 0.0023981 k( 30) = ( 0.2543860 0.1468698 -0.0000000), wk = 0.0023981 k( 31) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0023981 k( 32) = ( 0.2719298 0.1569988 -0.0000000), wk = 0.0023981 k( 33) = ( 0.2807018 0.1620632 -0.0000000), wk = 0.0023981 k( 34) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0023981 k( 35) = ( 0.2982456 0.1721922 -0.0000000), wk = 0.0023981 k( 36) = ( 0.3070175 0.1772567 -0.0000000), wk = 0.0023981 k( 37) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0023981 k( 38) = ( 0.3245614 0.1873856 -0.0000000), wk = 0.0023981 k( 39) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0023981 k( 40) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0023981 k( 41) = ( 0.3508772 0.2025790 -0.0000000), wk = 0.0023981 k( 42) = ( 0.3596491 0.2076435 -0.0000000), wk = 0.0023981 k( 43) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0023981 k( 44) = ( 0.3771930 0.2177725 -0.0000000), wk = 0.0023981 k( 45) = ( 0.3859649 0.2228369 -0.0000000), wk = 0.0023981 k( 46) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0023981 k( 47) = ( 0.4035088 0.2329659 -0.0000000), wk = 0.0023981 k( 48) = ( 0.4122807 0.2380304 -0.0000000), wk = 0.0023981 k( 49) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0023981 k( 50) = ( 0.4298246 0.2481593 -0.0000000), wk = 0.0023981 k( 51) = ( 0.4385965 0.2532238 -0.0000000), wk = 0.0023981 k( 52) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0023981 k( 53) = ( 0.4561404 0.2633528 -0.0000000), wk = 0.0023981 k( 54) = ( 0.4649123 0.2684172 -0.0000000), wk = 0.0023981 k( 55) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0023981 k( 56) = ( 0.4824561 0.2785462 -0.0000000), wk = 0.0023981 k( 57) = ( 0.4912281 0.2836107 -0.0000000), wk = 0.0023981 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023981 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023981 k( 60) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0023981 k( 61) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0023981 k( 62) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0023981 k( 63) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0023981 k( 64) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0023981 k( 65) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0023981 k( 66) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0023981 k( 67) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0023981 k( 68) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0023981 k( 69) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0023981 k( 70) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0023981 k( 71) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0023981 k( 72) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0023981 k( 73) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0023981 k( 74) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0023981 k( 75) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0023981 k( 76) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0023981 k( 77) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0023981 k( 78) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0023981 k( 79) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0023981 k( 80) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0023981 k( 81) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0023981 k( 82) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0023981 k( 83) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0023981 k( 84) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0023981 k( 85) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0023981 k( 86) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0023981 k( 87) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0023981 k( 88) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0023981 k( 89) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0023981 k( 90) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0023981 k( 91) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0023981 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023981 k( 93) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023981 k( 94) = ( 0.3282828 0.5686025 -0.0000000), wk = 0.0023981 k( 95) = ( 0.3232323 0.5598548 -0.0000000), wk = 0.0023981 k( 96) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0023981 k( 97) = ( 0.3131313 0.5423593 -0.0000000), wk = 0.0023981 k( 98) = ( 0.3080808 0.5336116 -0.0000000), wk = 0.0023981 k( 99) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0023981 k( 100) = ( 0.2979798 0.5161162 -0.0000000), wk = 0.0023981 k( 101) = ( 0.2929293 0.5073684 -0.0000000), wk = 0.0023981 k( 102) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0023981 k( 103) = ( 0.2828283 0.4898730 -0.0000000), wk = 0.0023981 k( 104) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0023981 k( 105) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0023981 k( 106) = ( 0.2676768 0.4636298 -0.0000000), wk = 0.0023981 k( 107) = ( 0.2626263 0.4548820 -0.0000000), wk = 0.0023981 k( 108) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0023981 k( 109) = ( 0.2525252 0.4373866 -0.0000000), wk = 0.0023981 k( 110) = ( 0.2474747 0.4286388 -0.0000000), wk = 0.0023981 k( 111) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0023981 k( 112) = ( 0.2373737 0.4111434 -0.0000000), wk = 0.0023981 k( 113) = ( 0.2323232 0.4023956 -0.0000000), wk = 0.0023981 k( 114) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0023981 k( 115) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0023981 k( 116) = ( 0.2171717 0.3761525 -0.0000000), wk = 0.0023981 k( 117) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0023981 k( 118) = ( 0.2070707 0.3586570 -0.0000000), wk = 0.0023981 k( 119) = ( 0.2020202 0.3499093 -0.0000000), wk = 0.0023981 k( 120) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0023981 k( 121) = ( 0.1919192 0.3324138 -0.0000000), wk = 0.0023981 k( 122) = ( 0.1868687 0.3236661 -0.0000000), wk = 0.0023981 k( 123) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0023981 k( 124) = ( 0.1767677 0.3061706 -0.0000000), wk = 0.0023981 k( 125) = ( 0.1717172 0.2974229 -0.0000000), wk = 0.0023981 k( 126) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0023981 k( 127) = ( 0.1616162 0.2799274 -0.0000000), wk = 0.0023981 k( 128) = ( 0.1565657 0.2711797 -0.0000000), wk = 0.0023981 k( 129) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0023981 k( 130) = ( 0.1464647 0.2536842 -0.0000000), wk = 0.0023981 k( 131) = ( 0.1414141 0.2449365 -0.0000000), wk = 0.0023981 k( 132) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0023981 k( 133) = ( 0.1313131 0.2274410 -0.0000000), wk = 0.0023981 k( 134) = ( 0.1262626 0.2186933 -0.0000000), wk = 0.0023981 k( 135) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0023981 k( 136) = ( 0.1161616 0.2011978 -0.0000000), wk = 0.0023981 k( 137) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0023981 k( 138) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0023981 k( 139) = ( 0.1010101 0.1749546 -0.0000000), wk = 0.0023981 k( 140) = ( 0.0959596 0.1662069 -0.0000000), wk = 0.0023981 k( 141) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0023981 k( 142) = ( 0.0858586 0.1487114 -0.0000000), wk = 0.0023981 k( 143) = ( 0.0808081 0.1399637 -0.0000000), wk = 0.0023981 k( 144) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0023981 k( 145) = ( 0.0707071 0.1224682 -0.0000000), wk = 0.0023981 k( 146) = ( 0.0656566 0.1137205 -0.0000000), wk = 0.0023981 k( 147) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0023981 k( 148) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0023981 k( 149) = ( 0.0505051 0.0874773 -0.0000000), wk = 0.0023981 k( 150) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0023981 k( 151) = ( 0.0404040 0.0699819 -0.0000000), wk = 0.0023981 k( 152) = ( 0.0353535 0.0612341 -0.0000000), wk = 0.0023981 k( 153) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0023981 k( 154) = ( 0.0252525 0.0437387 -0.0000000), wk = 0.0023981 k( 155) = ( 0.0202020 0.0349909 -0.0000000), wk = 0.0023981 k( 156) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0023981 k( 157) = ( 0.0101010 0.0174955 -0.0000000), wk = 0.0023981 k( 158) = ( 0.0050505 0.0087477 -0.0000000), wk = 0.0023981 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023981 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023981 k( 161) = ( 0.0000000 0.0000000 0.0098728), wk = 0.0023981 k( 162) = ( 0.0000000 0.0000000 0.0197455), wk = 0.0023981 k( 163) = ( 0.0000000 0.0000000 0.0296183), wk = 0.0023981 k( 164) = ( 0.0000000 0.0000000 0.0394911), wk = 0.0023981 k( 165) = ( 0.0000000 0.0000000 0.0493639), wk = 0.0023981 k( 166) = ( 0.0000000 0.0000000 0.0592366), wk = 0.0023981 k( 167) = ( 0.0000000 0.0000000 0.0691094), wk = 0.0023981 k( 168) = ( 0.0000000 0.0000000 0.0789822), wk = 0.0023981 k( 169) = ( 0.0000000 0.0000000 0.0888550), wk = 0.0023981 k( 170) = ( 0.0000000 0.0000000 0.0987277), wk = 0.0023981 k( 171) = ( 0.0000000 0.0000000 0.1086005), wk = 0.0023981 k( 172) = ( 0.0000000 0.0000000 0.1184733), wk = 0.0023981 k( 173) = ( 0.0000000 0.0000000 0.1283461), wk = 0.0023981 k( 174) = ( 0.0000000 0.0000000 0.1382188), wk = 0.0023981 k( 175) = ( 0.0000000 0.0000000 0.1480916), wk = 0.0023981 k( 176) = ( 0.0000000 0.0000000 0.1579644), wk = 0.0023981 k( 177) = ( 0.0000000 0.0000000 0.1678371), wk = 0.0023981 k( 178) = ( 0.0000000 0.0000000 0.1777099), wk = 0.0023981 k( 179) = ( 0.0000000 0.0000000 0.1875827), wk = 0.0023981 k( 180) = ( 0.0000000 0.0000000 0.1974555), wk = 0.0023981 k( 181) = ( 0.0000000 0.0000000 0.2073282), wk = 0.0023981 k( 182) = ( 0.0000000 0.0000000 0.2172010), wk = 0.0023981 k( 183) = ( 0.0000000 0.0000000 0.2270738), wk = 0.0023981 k( 184) = ( 0.0000000 0.0000000 0.2369466), wk = 0.0023981 k( 185) = ( 0.0000000 0.0000000 0.2468193), wk = 0.0023981 k( 186) = ( 0.0000000 0.0000000 0.2566921), wk = 0.0023981 k( 187) = ( 0.0000000 0.0000000 0.2665649), wk = 0.0023981 k( 188) = ( 0.0000000 0.0000000 0.2764377), wk = 0.0023981 k( 189) = ( 0.0000000 0.0000000 0.2863104), wk = 0.0023981 k( 190) = ( 0.0000000 0.0000000 0.2961832), wk = 0.0023981 k( 191) = ( 0.0000000 0.0000000 0.3060560), wk = 0.0023981 k( 192) = ( 0.0000000 0.0000000 0.3159287), wk = 0.0023981 k( 193) = ( 0.0000000 0.0000000 0.3159287), wk = 0.0023981 k( 194) = ( 0.0087719 0.0050645 0.3159287), wk = 0.0023981 k( 195) = ( 0.0175439 0.0101290 0.3159287), wk = 0.0023981 k( 196) = ( 0.0263158 0.0151934 0.3159287), wk = 0.0023981 k( 197) = ( 0.0350877 0.0202579 0.3159287), wk = 0.0023981 k( 198) = ( 0.0438597 0.0253224 0.3159287), wk = 0.0023981 k( 199) = ( 0.0526316 0.0303869 0.3159287), wk = 0.0023981 k( 200) = ( 0.0614035 0.0354513 0.3159287), wk = 0.0023981 k( 201) = ( 0.0701754 0.0405158 0.3159287), wk = 0.0023981 k( 202) = ( 0.0789474 0.0455803 0.3159287), wk = 0.0023981 k( 203) = ( 0.0877193 0.0506448 0.3159287), wk = 0.0023981 k( 204) = ( 0.0964912 0.0557092 0.3159287), wk = 0.0023981 k( 205) = ( 0.1052632 0.0607737 0.3159287), wk = 0.0023981 k( 206) = ( 0.1140351 0.0658382 0.3159287), wk = 0.0023981 k( 207) = ( 0.1228070 0.0709027 0.3159287), wk = 0.0023981 k( 208) = ( 0.1315790 0.0759671 0.3159287), wk = 0.0023981 k( 209) = ( 0.1403509 0.0810316 0.3159287), wk = 0.0023981 k( 210) = ( 0.1491228 0.0860961 0.3159287), wk = 0.0023981 k( 211) = ( 0.1578947 0.0911606 0.3159287), wk = 0.0023981 k( 212) = ( 0.1666667 0.0962250 0.3159287), wk = 0.0023981 k( 213) = ( 0.1754386 0.1012895 0.3159287), wk = 0.0023981 k( 214) = ( 0.1842105 0.1063540 0.3159287), wk = 0.0023981 k( 215) = ( 0.1929825 0.1114185 0.3159287), wk = 0.0023981 k( 216) = ( 0.2017544 0.1164830 0.3159287), wk = 0.0023981 k( 217) = ( 0.2105263 0.1215474 0.3159287), wk = 0.0023981 k( 218) = ( 0.2192983 0.1266119 0.3159287), wk = 0.0023981 k( 219) = ( 0.2280702 0.1316764 0.3159287), wk = 0.0023981 k( 220) = ( 0.2368421 0.1367409 0.3159287), wk = 0.0023981 k( 221) = ( 0.2456140 0.1418053 0.3159287), wk = 0.0023981 k( 222) = ( 0.2543860 0.1468698 0.3159287), wk = 0.0023981 k( 223) = ( 0.2631579 0.1519343 0.3159287), wk = 0.0023981 k( 224) = ( 0.2719298 0.1569988 0.3159287), wk = 0.0023981 k( 225) = ( 0.2807018 0.1620632 0.3159287), wk = 0.0023981 k( 226) = ( 0.2894737 0.1671277 0.3159287), wk = 0.0023981 k( 227) = ( 0.2982456 0.1721922 0.3159287), wk = 0.0023981 k( 228) = ( 0.3070175 0.1772567 0.3159287), wk = 0.0023981 k( 229) = ( 0.3157895 0.1823211 0.3159287), wk = 0.0023981 k( 230) = ( 0.3245614 0.1873856 0.3159287), wk = 0.0023981 k( 231) = ( 0.3333333 0.1924501 0.3159287), wk = 0.0023981 k( 232) = ( 0.3421053 0.1975146 0.3159287), wk = 0.0023981 k( 233) = ( 0.3508772 0.2025790 0.3159287), wk = 0.0023981 k( 234) = ( 0.3596491 0.2076435 0.3159287), wk = 0.0023981 k( 235) = ( 0.3684211 0.2127080 0.3159287), wk = 0.0023981 k( 236) = ( 0.3771930 0.2177725 0.3159287), wk = 0.0023981 k( 237) = ( 0.3859649 0.2228369 0.3159287), wk = 0.0023981 k( 238) = ( 0.3947368 0.2279014 0.3159287), wk = 0.0023981 k( 239) = ( 0.4035088 0.2329659 0.3159287), wk = 0.0023981 k( 240) = ( 0.4122807 0.2380304 0.3159287), wk = 0.0023981 k( 241) = ( 0.4210526 0.2430948 0.3159287), wk = 0.0023981 k( 242) = ( 0.4298246 0.2481593 0.3159287), wk = 0.0023981 k( 243) = ( 0.4385965 0.2532238 0.3159287), wk = 0.0023981 k( 244) = ( 0.4473684 0.2582883 0.3159287), wk = 0.0023981 k( 245) = ( 0.4561404 0.2633528 0.3159287), wk = 0.0023981 k( 246) = ( 0.4649123 0.2684172 0.3159287), wk = 0.0023981 k( 247) = ( 0.4736842 0.2734817 0.3159287), wk = 0.0023981 k( 248) = ( 0.4824561 0.2785462 0.3159287), wk = 0.0023981 k( 249) = ( 0.4912281 0.2836107 0.3159287), wk = 0.0023981 k( 250) = ( 0.5000000 0.2886751 0.3159287), wk = 0.0023981 k( 251) = ( 0.5000000 0.2886751 0.3159287), wk = 0.0023981 k( 252) = ( 0.4949495 0.2974229 0.3159287), wk = 0.0023981 k( 253) = ( 0.4898990 0.3061706 0.3159287), wk = 0.0023981 k( 254) = ( 0.4848485 0.3149183 0.3159287), wk = 0.0023981 k( 255) = ( 0.4797980 0.3236661 0.3159287), wk = 0.0023981 k( 256) = ( 0.4747475 0.3324138 0.3159287), wk = 0.0023981 k( 257) = ( 0.4696970 0.3411615 0.3159287), wk = 0.0023981 k( 258) = ( 0.4646465 0.3499093 0.3159287), wk = 0.0023981 k( 259) = ( 0.4595960 0.3586570 0.3159287), wk = 0.0023981 k( 260) = ( 0.4545455 0.3674047 0.3159287), wk = 0.0023981 k( 261) = ( 0.4494950 0.3761524 0.3159287), wk = 0.0023981 k( 262) = ( 0.4444444 0.3849002 0.3159287), wk = 0.0023981 k( 263) = ( 0.4393939 0.3936479 0.3159287), wk = 0.0023981 k( 264) = ( 0.4343434 0.4023956 0.3159287), wk = 0.0023981 k( 265) = ( 0.4292929 0.4111434 0.3159287), wk = 0.0023981 k( 266) = ( 0.4242424 0.4198911 0.3159287), wk = 0.0023981 k( 267) = ( 0.4191919 0.4286388 0.3159287), wk = 0.0023981 k( 268) = ( 0.4141414 0.4373866 0.3159287), wk = 0.0023981 k( 269) = ( 0.4090909 0.4461343 0.3159287), wk = 0.0023981 k( 270) = ( 0.4040404 0.4548820 0.3159287), wk = 0.0023981 k( 271) = ( 0.3989899 0.4636298 0.3159287), wk = 0.0023981 k( 272) = ( 0.3939394 0.4723775 0.3159287), wk = 0.0023981 k( 273) = ( 0.3888889 0.4811252 0.3159287), wk = 0.0023981 k( 274) = ( 0.3838384 0.4898730 0.3159287), wk = 0.0023981 k( 275) = ( 0.3787879 0.4986207 0.3159287), wk = 0.0023981 k( 276) = ( 0.3737374 0.5073684 0.3159287), wk = 0.0023981 k( 277) = ( 0.3686869 0.5161161 0.3159287), wk = 0.0023981 k( 278) = ( 0.3636364 0.5248639 0.3159287), wk = 0.0023981 k( 279) = ( 0.3585859 0.5336116 0.3159287), wk = 0.0023981 k( 280) = ( 0.3535354 0.5423593 0.3159287), wk = 0.0023981 k( 281) = ( 0.3484849 0.5511071 0.3159287), wk = 0.0023981 k( 282) = ( 0.3434343 0.5598548 0.3159287), wk = 0.0023981 k( 283) = ( 0.3383838 0.5686025 0.3159287), wk = 0.0023981 k( 284) = ( 0.3333333 0.5773503 0.3159287), wk = 0.0023981 k( 285) = ( 0.3333333 0.5773503 0.3159287), wk = 0.0023981 k( 286) = ( 0.3282828 0.5686025 0.3159287), wk = 0.0023981 k( 287) = ( 0.3232323 0.5598548 0.3159287), wk = 0.0023981 k( 288) = ( 0.3181818 0.5511071 0.3159287), wk = 0.0023981 k( 289) = ( 0.3131313 0.5423593 0.3159287), wk = 0.0023981 k( 290) = ( 0.3080808 0.5336116 0.3159287), wk = 0.0023981 k( 291) = ( 0.3030303 0.5248639 0.3159287), wk = 0.0023981 k( 292) = ( 0.2979798 0.5161162 0.3159287), wk = 0.0023981 k( 293) = ( 0.2929293 0.5073684 0.3159287), wk = 0.0023981 k( 294) = ( 0.2878788 0.4986207 0.3159287), wk = 0.0023981 k( 295) = ( 0.2828283 0.4898730 0.3159287), wk = 0.0023981 k( 296) = ( 0.2777778 0.4811252 0.3159287), wk = 0.0023981 k( 297) = ( 0.2727273 0.4723775 0.3159287), wk = 0.0023981 k( 298) = ( 0.2676768 0.4636298 0.3159287), wk = 0.0023981 k( 299) = ( 0.2626263 0.4548820 0.3159287), wk = 0.0023981 k( 300) = ( 0.2575758 0.4461343 0.3159287), wk = 0.0023981 k( 301) = ( 0.2525252 0.4373866 0.3159287), wk = 0.0023981 k( 302) = ( 0.2474747 0.4286388 0.3159287), wk = 0.0023981 k( 303) = ( 0.2424242 0.4198911 0.3159287), wk = 0.0023981 k( 304) = ( 0.2373737 0.4111434 0.3159287), wk = 0.0023981 k( 305) = ( 0.2323232 0.4023956 0.3159287), wk = 0.0023981 k( 306) = ( 0.2272727 0.3936479 0.3159287), wk = 0.0023981 k( 307) = ( 0.2222222 0.3849002 0.3159287), wk = 0.0023981 k( 308) = ( 0.2171717 0.3761525 0.3159287), wk = 0.0023981 k( 309) = ( 0.2121212 0.3674047 0.3159287), wk = 0.0023981 k( 310) = ( 0.2070707 0.3586570 0.3159287), wk = 0.0023981 k( 311) = ( 0.2020202 0.3499093 0.3159287), wk = 0.0023981 k( 312) = ( 0.1969697 0.3411615 0.3159287), wk = 0.0023981 k( 313) = ( 0.1919192 0.3324138 0.3159287), wk = 0.0023981 k( 314) = ( 0.1868687 0.3236661 0.3159287), wk = 0.0023981 k( 315) = ( 0.1818182 0.3149183 0.3159287), wk = 0.0023981 k( 316) = ( 0.1767677 0.3061706 0.3159287), wk = 0.0023981 k( 317) = ( 0.1717172 0.2974229 0.3159287), wk = 0.0023981 k( 318) = ( 0.1666667 0.2886751 0.3159287), wk = 0.0023981 k( 319) = ( 0.1616162 0.2799274 0.3159287), wk = 0.0023981 k( 320) = ( 0.1565657 0.2711797 0.3159287), wk = 0.0023981 k( 321) = ( 0.1515151 0.2624319 0.3159287), wk = 0.0023981 k( 322) = ( 0.1464647 0.2536842 0.3159287), wk = 0.0023981 k( 323) = ( 0.1414141 0.2449365 0.3159287), wk = 0.0023981 k( 324) = ( 0.1363636 0.2361888 0.3159287), wk = 0.0023981 k( 325) = ( 0.1313131 0.2274410 0.3159287), wk = 0.0023981 k( 326) = ( 0.1262626 0.2186933 0.3159287), wk = 0.0023981 k( 327) = ( 0.1212121 0.2099456 0.3159287), wk = 0.0023981 k( 328) = ( 0.1161616 0.2011978 0.3159287), wk = 0.0023981 k( 329) = ( 0.1111111 0.1924501 0.3159287), wk = 0.0023981 k( 330) = ( 0.1060606 0.1837024 0.3159287), wk = 0.0023981 k( 331) = ( 0.1010101 0.1749546 0.3159287), wk = 0.0023981 k( 332) = ( 0.0959596 0.1662069 0.3159287), wk = 0.0023981 k( 333) = ( 0.0909091 0.1574592 0.3159287), wk = 0.0023981 k( 334) = ( 0.0858586 0.1487114 0.3159287), wk = 0.0023981 k( 335) = ( 0.0808081 0.1399637 0.3159287), wk = 0.0023981 k( 336) = ( 0.0757576 0.1312160 0.3159287), wk = 0.0023981 k( 337) = ( 0.0707071 0.1224682 0.3159287), wk = 0.0023981 k( 338) = ( 0.0656566 0.1137205 0.3159287), wk = 0.0023981 k( 339) = ( 0.0606061 0.1049728 0.3159287), wk = 0.0023981 k( 340) = ( 0.0555556 0.0962251 0.3159287), wk = 0.0023981 k( 341) = ( 0.0505051 0.0874773 0.3159287), wk = 0.0023981 k( 342) = ( 0.0454546 0.0787296 0.3159287), wk = 0.0023981 k( 343) = ( 0.0404040 0.0699819 0.3159287), wk = 0.0023981 k( 344) = ( 0.0353535 0.0612341 0.3159287), wk = 0.0023981 k( 345) = ( 0.0303030 0.0524864 0.3159287), wk = 0.0023981 k( 346) = ( 0.0252525 0.0437387 0.3159287), wk = 0.0023981 k( 347) = ( 0.0202020 0.0349909 0.3159287), wk = 0.0023981 k( 348) = ( 0.0151515 0.0262432 0.3159287), wk = 0.0023981 k( 349) = ( 0.0101010 0.0174955 0.3159287), wk = 0.0023981 k( 350) = ( 0.0050505 0.0087477 0.3159287), wk = 0.0023981 k( 351) = ( 0.0000000 0.0000000 0.3159287), wk = 0.0023981 k( 352) = ( 0.5000000 0.2886751 0.3159287), wk = 0.0023981 k( 353) = ( 0.5000000 0.2886751 0.3060560), wk = 0.0023981 k( 354) = ( 0.5000000 0.2886751 0.2961832), wk = 0.0023981 k( 355) = ( 0.5000000 0.2886751 0.2863104), wk = 0.0023981 k( 356) = ( 0.5000000 0.2886751 0.2764377), wk = 0.0023981 k( 357) = ( 0.5000000 0.2886751 0.2665649), wk = 0.0023981 k( 358) = ( 0.5000000 0.2886751 0.2566921), wk = 0.0023981 k( 359) = ( 0.5000000 0.2886751 0.2468193), wk = 0.0023981 k( 360) = ( 0.5000000 0.2886751 0.2369466), wk = 0.0023981 k( 361) = ( 0.5000000 0.2886751 0.2270738), wk = 0.0023981 k( 362) = ( 0.5000000 0.2886751 0.2172010), wk = 0.0023981 k( 363) = ( 0.5000000 0.2886751 0.2073282), wk = 0.0023981 k( 364) = ( 0.5000000 0.2886751 0.1974555), wk = 0.0023981 k( 365) = ( 0.5000000 0.2886751 0.1875827), wk = 0.0023981 k( 366) = ( 0.5000000 0.2886751 0.1777099), wk = 0.0023981 k( 367) = ( 0.5000000 0.2886751 0.1678371), wk = 0.0023981 k( 368) = ( 0.5000000 0.2886751 0.1579644), wk = 0.0023981 k( 369) = ( 0.5000000 0.2886751 0.1480916), wk = 0.0023981 k( 370) = ( 0.5000000 0.2886751 0.1382188), wk = 0.0023981 k( 371) = ( 0.5000000 0.2886751 0.1283461), wk = 0.0023981 k( 372) = ( 0.5000000 0.2886751 0.1184733), wk = 0.0023981 k( 373) = ( 0.5000000 0.2886751 0.1086005), wk = 0.0023981 k( 374) = ( 0.5000000 0.2886751 0.0987277), wk = 0.0023981 k( 375) = ( 0.5000000 0.2886751 0.0888550), wk = 0.0023981 k( 376) = ( 0.5000000 0.2886751 0.0789822), wk = 0.0023981 k( 377) = ( 0.5000000 0.2886751 0.0691094), wk = 0.0023981 k( 378) = ( 0.5000000 0.2886751 0.0592366), wk = 0.0023981 k( 379) = ( 0.5000000 0.2886751 0.0493639), wk = 0.0023981 k( 380) = ( 0.5000000 0.2886751 0.0394911), wk = 0.0023981 k( 381) = ( 0.5000000 0.2886751 0.0296183), wk = 0.0023981 k( 382) = ( 0.5000000 0.2886751 0.0197455), wk = 0.0023981 k( 383) = ( 0.5000000 0.2886751 0.0098728), wk = 0.0023981 k( 384) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023981 k( 385) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023981 k( 386) = ( 0.3333333 0.5773503 0.0098728), wk = 0.0023981 k( 387) = ( 0.3333333 0.5773503 0.0197455), wk = 0.0023981 k( 388) = ( 0.3333333 0.5773503 0.0296183), wk = 0.0023981 k( 389) = ( 0.3333333 0.5773503 0.0394911), wk = 0.0023981 k( 390) = ( 0.3333333 0.5773503 0.0493639), wk = 0.0023981 k( 391) = ( 0.3333333 0.5773503 0.0592366), wk = 0.0023981 k( 392) = ( 0.3333333 0.5773503 0.0691094), wk = 0.0023981 k( 393) = ( 0.3333333 0.5773503 0.0789822), wk = 0.0023981 k( 394) = ( 0.3333333 0.5773503 0.0888550), wk = 0.0023981 k( 395) = ( 0.3333333 0.5773503 0.0987277), wk = 0.0023981 k( 396) = ( 0.3333333 0.5773503 0.1086005), wk = 0.0023981 k( 397) = ( 0.3333333 0.5773503 0.1184733), wk = 0.0023981 k( 398) = ( 0.3333333 0.5773503 0.1283461), wk = 0.0023981 k( 399) = ( 0.3333333 0.5773503 0.1382188), wk = 0.0023981 k( 400) = ( 0.3333333 0.5773503 0.1480916), wk = 0.0023981 k( 401) = ( 0.3333333 0.5773503 0.1579644), wk = 0.0023981 k( 402) = ( 0.3333333 0.5773503 0.1678371), wk = 0.0023981 k( 403) = ( 0.3333333 0.5773503 0.1777099), wk = 0.0023981 k( 404) = ( 0.3333333 0.5773503 0.1875827), wk = 0.0023981 k( 405) = ( 0.3333333 0.5773503 0.1974555), wk = 0.0023981 k( 406) = ( 0.3333333 0.5773503 0.2073282), wk = 0.0023981 k( 407) = ( 0.3333333 0.5773503 0.2172010), wk = 0.0023981 k( 408) = ( 0.3333333 0.5773503 0.2270738), wk = 0.0023981 k( 409) = ( 0.3333333 0.5773503 0.2369466), wk = 0.0023981 k( 410) = ( 0.3333333 0.5773503 0.2468193), wk = 0.0023981 k( 411) = ( 0.3333333 0.5773503 0.2566921), wk = 0.0023981 k( 412) = ( 0.3333333 0.5773503 0.2665649), wk = 0.0023981 k( 413) = ( 0.3333333 0.5773503 0.2764377), wk = 0.0023981 k( 414) = ( 0.3333333 0.5773503 0.2863104), wk = 0.0023981 k( 415) = ( 0.3333333 0.5773503 0.2961832), wk = 0.0023981 k( 416) = ( 0.3333333 0.5773503 0.3060560), wk = 0.0023981 k( 417) = ( 0.3333333 0.5773503 0.3159287), wk = 0.0023981 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023981 k( 2) = ( 0.0087719 -0.0000000 -0.0000000), wk = 0.0023981 k( 3) = ( 0.0175439 -0.0000000 -0.0000000), wk = 0.0023981 k( 4) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0023981 k( 5) = ( 0.0350877 -0.0000000 -0.0000000), wk = 0.0023981 k( 6) = ( 0.0438597 0.0000000 -0.0000000), wk = 0.0023981 k( 7) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0023981 k( 8) = ( 0.0614035 -0.0000000 -0.0000000), wk = 0.0023981 k( 9) = ( 0.0701754 -0.0000000 -0.0000000), wk = 0.0023981 k( 10) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0023981 k( 11) = ( 0.0877193 0.0000000 -0.0000000), wk = 0.0023981 k( 12) = ( 0.0964912 0.0000000 -0.0000000), wk = 0.0023981 k( 13) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0023981 k( 14) = ( 0.1140351 -0.0000000 -0.0000000), wk = 0.0023981 k( 15) = ( 0.1228070 -0.0000000 -0.0000000), wk = 0.0023981 k( 16) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0023981 k( 17) = ( 0.1403509 -0.0000000 -0.0000000), wk = 0.0023981 k( 18) = ( 0.1491228 -0.0000000 -0.0000000), wk = 0.0023981 k( 19) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0023981 k( 20) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0023981 k( 21) = ( 0.1754386 0.0000000 -0.0000000), wk = 0.0023981 k( 22) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0023981 k( 23) = ( 0.1929825 0.0000000 -0.0000000), wk = 0.0023981 k( 24) = ( 0.2017544 0.0000000 -0.0000000), wk = 0.0023981 k( 25) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0023981 k( 26) = ( 0.2192983 0.0000000 -0.0000000), wk = 0.0023981 k( 27) = ( 0.2280702 -0.0000000 -0.0000000), wk = 0.0023981 k( 28) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0023981 k( 29) = ( 0.2456140 -0.0000000 -0.0000000), wk = 0.0023981 k( 30) = ( 0.2543860 -0.0000000 -0.0000000), wk = 0.0023981 k( 31) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0023981 k( 32) = ( 0.2719298 0.0000000 -0.0000000), wk = 0.0023981 k( 33) = ( 0.2807018 0.0000000 0.0000000), wk = 0.0023981 k( 34) = ( 0.2894737 0.0000000 -0.0000000), wk = 0.0023981 k( 35) = ( 0.2982456 -0.0000000 -0.0000000), wk = 0.0023981 k( 36) = ( 0.3070175 -0.0000000 -0.0000000), wk = 0.0023981 k( 37) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0023981 k( 38) = ( 0.3245614 -0.0000000 -0.0000000), wk = 0.0023981 k( 39) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0023981 k( 40) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0023981 k( 41) = ( 0.3508772 0.0000000 0.0000000), wk = 0.0023981 k( 42) = ( 0.3596491 0.0000000 -0.0000000), wk = 0.0023981 k( 43) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0023981 k( 44) = ( 0.3771930 0.0000000 -0.0000000), wk = 0.0023981 k( 45) = ( 0.3859649 0.0000000 -0.0000000), wk = 0.0023981 k( 46) = ( 0.3947368 0.0000000 -0.0000000), wk = 0.0023981 k( 47) = ( 0.4035088 0.0000000 -0.0000000), wk = 0.0023981 k( 48) = ( 0.4122807 -0.0000000 -0.0000000), wk = 0.0023981 k( 49) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0023981 k( 50) = ( 0.4298246 -0.0000000 0.0000000), wk = 0.0023981 k( 51) = ( 0.4385965 0.0000000 0.0000000), wk = 0.0023981 k( 52) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0023981 k( 53) = ( 0.4561404 0.0000000 -0.0000000), wk = 0.0023981 k( 54) = ( 0.4649123 0.0000000 -0.0000000), wk = 0.0023981 k( 55) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0023981 k( 56) = ( 0.4824561 0.0000000 -0.0000000), wk = 0.0023981 k( 57) = ( 0.4912281 -0.0000000 0.0000000), wk = 0.0023981 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023981 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023981 k( 60) = ( 0.4949495 0.0101010 -0.0000000), wk = 0.0023981 k( 61) = ( 0.4898990 0.0202020 -0.0000000), wk = 0.0023981 k( 62) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0023981 k( 63) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0023981 k( 64) = ( 0.4747475 0.0505051 -0.0000000), wk = 0.0023981 k( 65) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0023981 k( 66) = ( 0.4646465 0.0707071 -0.0000000), wk = 0.0023981 k( 67) = ( 0.4595960 0.0808081 -0.0000000), wk = 0.0023981 k( 68) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0023981 k( 69) = ( 0.4494950 0.1010101 -0.0000000), wk = 0.0023981 k( 70) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0023981 k( 71) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0023981 k( 72) = ( 0.4343434 0.1313131 0.0000000), wk = 0.0023981 k( 73) = ( 0.4292929 0.1414141 -0.0000000), wk = 0.0023981 k( 74) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0023981 k( 75) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0023981 k( 76) = ( 0.4141414 0.1717172 -0.0000000), wk = 0.0023981 k( 77) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0023981 k( 78) = ( 0.4040404 0.1919192 0.0000000), wk = 0.0023981 k( 79) = ( 0.3989899 0.2020202 -0.0000000), wk = 0.0023981 k( 80) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0023981 k( 81) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0023981 k( 82) = ( 0.3838384 0.2323232 -0.0000000), wk = 0.0023981 k( 83) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0023981 k( 84) = ( 0.3737374 0.2525252 -0.0000000), wk = 0.0023981 k( 85) = ( 0.3686869 0.2626263 -0.0000000), wk = 0.0023981 k( 86) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0023981 k( 87) = ( 0.3585859 0.2828283 0.0000000), wk = 0.0023981 k( 88) = ( 0.3535354 0.2929293 -0.0000000), wk = 0.0023981 k( 89) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0023981 k( 90) = ( 0.3434343 0.3131313 -0.0000000), wk = 0.0023981 k( 91) = ( 0.3383838 0.3232323 -0.0000000), wk = 0.0023981 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023981 k( 93) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023981 k( 94) = ( 0.3282828 0.3282828 -0.0000000), wk = 0.0023981 k( 95) = ( 0.3232323 0.3232323 -0.0000000), wk = 0.0023981 k( 96) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0023981 k( 97) = ( 0.3131313 0.3131313 -0.0000000), wk = 0.0023981 k( 98) = ( 0.3080808 0.3080808 -0.0000000), wk = 0.0023981 k( 99) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0023981 k( 100) = ( 0.2979798 0.2979798 -0.0000000), wk = 0.0023981 k( 101) = ( 0.2929293 0.2929293 -0.0000000), wk = 0.0023981 k( 102) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0023981 k( 103) = ( 0.2828283 0.2828283 0.0000000), wk = 0.0023981 k( 104) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0023981 k( 105) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0023981 k( 106) = ( 0.2676768 0.2676768 -0.0000000), wk = 0.0023981 k( 107) = ( 0.2626263 0.2626263 -0.0000000), wk = 0.0023981 k( 108) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0023981 k( 109) = ( 0.2525252 0.2525252 -0.0000000), wk = 0.0023981 k( 110) = ( 0.2474747 0.2474747 -0.0000000), wk = 0.0023981 k( 111) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0023981 k( 112) = ( 0.2373737 0.2373737 -0.0000000), wk = 0.0023981 k( 113) = ( 0.2323232 0.2323232 0.0000000), wk = 0.0023981 k( 114) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0023981 k( 115) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023981 k( 116) = ( 0.2171717 0.2171717 -0.0000000), wk = 0.0023981 k( 117) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0023981 k( 118) = ( 0.2070707 0.2070707 -0.0000000), wk = 0.0023981 k( 119) = ( 0.2020202 0.2020202 -0.0000000), wk = 0.0023981 k( 120) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0023981 k( 121) = ( 0.1919192 0.1919192 -0.0000000), wk = 0.0023981 k( 122) = ( 0.1868687 0.1868687 -0.0000000), wk = 0.0023981 k( 123) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0023981 k( 124) = ( 0.1767677 0.1767677 0.0000000), wk = 0.0023981 k( 125) = ( 0.1717172 0.1717172 -0.0000000), wk = 0.0023981 k( 126) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023981 k( 127) = ( 0.1616162 0.1616162 -0.0000000), wk = 0.0023981 k( 128) = ( 0.1565657 0.1565657 0.0000000), wk = 0.0023981 k( 129) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0023981 k( 130) = ( 0.1464647 0.1464646 -0.0000000), wk = 0.0023981 k( 131) = ( 0.1414141 0.1414141 0.0000000), wk = 0.0023981 k( 132) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0023981 k( 133) = ( 0.1313131 0.1313131 -0.0000000), wk = 0.0023981 k( 134) = ( 0.1262626 0.1262626 0.0000000), wk = 0.0023981 k( 135) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0023981 k( 136) = ( 0.1161616 0.1161616 -0.0000000), wk = 0.0023981 k( 137) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023981 k( 138) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0023981 k( 139) = ( 0.1010101 0.1010101 -0.0000000), wk = 0.0023981 k( 140) = ( 0.0959596 0.0959596 -0.0000000), wk = 0.0023981 k( 141) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0023981 k( 142) = ( 0.0858586 0.0858586 -0.0000000), wk = 0.0023981 k( 143) = ( 0.0808081 0.0808081 -0.0000000), wk = 0.0023981 k( 144) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0023981 k( 145) = ( 0.0707071 0.0707071 0.0000000), wk = 0.0023981 k( 146) = ( 0.0656566 0.0656566 -0.0000000), wk = 0.0023981 k( 147) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0023981 k( 148) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0023981 k( 149) = ( 0.0505051 0.0505050 -0.0000000), wk = 0.0023981 k( 150) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0023981 k( 151) = ( 0.0404040 0.0404040 -0.0000000), wk = 0.0023981 k( 152) = ( 0.0353535 0.0353535 -0.0000000), wk = 0.0023981 k( 153) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0023981 k( 154) = ( 0.0252525 0.0252525 -0.0000000), wk = 0.0023981 k( 155) = ( 0.0202020 0.0202020 -0.0000000), wk = 0.0023981 k( 156) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0023981 k( 157) = ( 0.0101010 0.0101010 -0.0000000), wk = 0.0023981 k( 158) = ( 0.0050505 0.0050505 -0.0000000), wk = 0.0023981 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023981 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023981 k( 161) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0023981 k( 162) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0023981 k( 163) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0023981 k( 164) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0023981 k( 165) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0023981 k( 166) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0023981 k( 167) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0023981 k( 168) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023981 k( 169) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0023981 k( 170) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0023981 k( 171) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0023981 k( 172) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0023981 k( 173) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0023981 k( 174) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0023981 k( 175) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0023981 k( 176) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023981 k( 177) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0023981 k( 178) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0023981 k( 179) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0023981 k( 180) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0023981 k( 181) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0023981 k( 182) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0023981 k( 183) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0023981 k( 184) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023981 k( 185) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0023981 k( 186) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0023981 k( 187) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0023981 k( 188) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0023981 k( 189) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0023981 k( 190) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0023981 k( 191) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0023981 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023981 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023981 k( 194) = ( 0.0087719 -0.0000000 0.5000000), wk = 0.0023981 k( 195) = ( 0.0175439 -0.0000000 0.5000000), wk = 0.0023981 k( 196) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0023981 k( 197) = ( 0.0350877 -0.0000000 0.5000000), wk = 0.0023981 k( 198) = ( 0.0438597 0.0000000 0.5000000), wk = 0.0023981 k( 199) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0023981 k( 200) = ( 0.0614035 -0.0000000 0.5000000), wk = 0.0023981 k( 201) = ( 0.0701754 -0.0000000 0.5000000), wk = 0.0023981 k( 202) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0023981 k( 203) = ( 0.0877193 0.0000000 0.5000000), wk = 0.0023981 k( 204) = ( 0.0964912 0.0000000 0.5000000), wk = 0.0023981 k( 205) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0023981 k( 206) = ( 0.1140351 -0.0000000 0.5000000), wk = 0.0023981 k( 207) = ( 0.1228070 -0.0000000 0.5000000), wk = 0.0023981 k( 208) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0023981 k( 209) = ( 0.1403509 -0.0000000 0.5000000), wk = 0.0023981 k( 210) = ( 0.1491228 -0.0000000 0.5000000), wk = 0.0023981 k( 211) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0023981 k( 212) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0023981 k( 213) = ( 0.1754386 0.0000000 0.5000000), wk = 0.0023981 k( 214) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0023981 k( 215) = ( 0.1929825 0.0000000 0.5000000), wk = 0.0023981 k( 216) = ( 0.2017544 0.0000000 0.5000000), wk = 0.0023981 k( 217) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0023981 k( 218) = ( 0.2192983 0.0000000 0.5000000), wk = 0.0023981 k( 219) = ( 0.2280702 -0.0000000 0.5000000), wk = 0.0023981 k( 220) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0023981 k( 221) = ( 0.2456140 -0.0000000 0.5000000), wk = 0.0023981 k( 222) = ( 0.2543860 -0.0000000 0.5000000), wk = 0.0023981 k( 223) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0023981 k( 224) = ( 0.2719298 0.0000000 0.5000000), wk = 0.0023981 k( 225) = ( 0.2807018 0.0000000 0.5000000), wk = 0.0023981 k( 226) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0023981 k( 227) = ( 0.2982456 -0.0000000 0.5000000), wk = 0.0023981 k( 228) = ( 0.3070175 -0.0000000 0.5000000), wk = 0.0023981 k( 229) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0023981 k( 230) = ( 0.3245614 -0.0000000 0.5000000), wk = 0.0023981 k( 231) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0023981 k( 232) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0023981 k( 233) = ( 0.3508772 0.0000000 0.5000000), wk = 0.0023981 k( 234) = ( 0.3596491 0.0000000 0.5000000), wk = 0.0023981 k( 235) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0023981 k( 236) = ( 0.3771930 0.0000000 0.5000000), wk = 0.0023981 k( 237) = ( 0.3859649 0.0000000 0.5000000), wk = 0.0023981 k( 238) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0023981 k( 239) = ( 0.4035088 0.0000000 0.5000000), wk = 0.0023981 k( 240) = ( 0.4122807 -0.0000000 0.5000000), wk = 0.0023981 k( 241) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0023981 k( 242) = ( 0.4298246 -0.0000000 0.5000000), wk = 0.0023981 k( 243) = ( 0.4385965 0.0000000 0.5000000), wk = 0.0023981 k( 244) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0023981 k( 245) = ( 0.4561404 0.0000000 0.5000000), wk = 0.0023981 k( 246) = ( 0.4649123 0.0000000 0.5000000), wk = 0.0023981 k( 247) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0023981 k( 248) = ( 0.4824561 0.0000000 0.5000000), wk = 0.0023981 k( 249) = ( 0.4912281 -0.0000000 0.5000000), wk = 0.0023981 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023981 k( 251) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023981 k( 252) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0023981 k( 253) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0023981 k( 254) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0023981 k( 255) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0023981 k( 256) = ( 0.4747475 0.0505051 0.5000000), wk = 0.0023981 k( 257) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0023981 k( 258) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0023981 k( 259) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0023981 k( 260) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0023981 k( 261) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0023981 k( 262) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0023981 k( 263) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0023981 k( 264) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0023981 k( 265) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0023981 k( 266) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0023981 k( 267) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0023981 k( 268) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0023981 k( 269) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0023981 k( 270) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0023981 k( 271) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0023981 k( 272) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0023981 k( 273) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0023981 k( 274) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0023981 k( 275) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0023981 k( 276) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0023981 k( 277) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0023981 k( 278) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0023981 k( 279) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0023981 k( 280) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0023981 k( 281) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0023981 k( 282) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0023981 k( 283) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0023981 k( 284) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023981 k( 285) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023981 k( 286) = ( 0.3282828 0.3282828 0.5000000), wk = 0.0023981 k( 287) = ( 0.3232323 0.3232323 0.5000000), wk = 0.0023981 k( 288) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0023981 k( 289) = ( 0.3131313 0.3131313 0.5000000), wk = 0.0023981 k( 290) = ( 0.3080808 0.3080808 0.5000000), wk = 0.0023981 k( 291) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0023981 k( 292) = ( 0.2979798 0.2979798 0.5000000), wk = 0.0023981 k( 293) = ( 0.2929293 0.2929293 0.5000000), wk = 0.0023981 k( 294) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0023981 k( 295) = ( 0.2828283 0.2828283 0.5000000), wk = 0.0023981 k( 296) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0023981 k( 297) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0023981 k( 298) = ( 0.2676768 0.2676768 0.5000000), wk = 0.0023981 k( 299) = ( 0.2626263 0.2626263 0.5000000), wk = 0.0023981 k( 300) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0023981 k( 301) = ( 0.2525252 0.2525252 0.5000000), wk = 0.0023981 k( 302) = ( 0.2474747 0.2474747 0.5000000), wk = 0.0023981 k( 303) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0023981 k( 304) = ( 0.2373737 0.2373737 0.5000000), wk = 0.0023981 k( 305) = ( 0.2323232 0.2323232 0.5000000), wk = 0.0023981 k( 306) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0023981 k( 307) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0023981 k( 308) = ( 0.2171717 0.2171717 0.5000000), wk = 0.0023981 k( 309) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0023981 k( 310) = ( 0.2070707 0.2070707 0.5000000), wk = 0.0023981 k( 311) = ( 0.2020202 0.2020202 0.5000000), wk = 0.0023981 k( 312) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0023981 k( 313) = ( 0.1919192 0.1919192 0.5000000), wk = 0.0023981 k( 314) = ( 0.1868687 0.1868687 0.5000000), wk = 0.0023981 k( 315) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0023981 k( 316) = ( 0.1767677 0.1767677 0.5000000), wk = 0.0023981 k( 317) = ( 0.1717172 0.1717172 0.5000000), wk = 0.0023981 k( 318) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023981 k( 319) = ( 0.1616162 0.1616162 0.5000000), wk = 0.0023981 k( 320) = ( 0.1565657 0.1565657 0.5000000), wk = 0.0023981 k( 321) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0023981 k( 322) = ( 0.1464647 0.1464646 0.5000000), wk = 0.0023981 k( 323) = ( 0.1414141 0.1414141 0.5000000), wk = 0.0023981 k( 324) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0023981 k( 325) = ( 0.1313131 0.1313131 0.5000000), wk = 0.0023981 k( 326) = ( 0.1262626 0.1262626 0.5000000), wk = 0.0023981 k( 327) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0023981 k( 328) = ( 0.1161616 0.1161616 0.5000000), wk = 0.0023981 k( 329) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0023981 k( 330) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0023981 k( 331) = ( 0.1010101 0.1010101 0.5000000), wk = 0.0023981 k( 332) = ( 0.0959596 0.0959596 0.5000000), wk = 0.0023981 k( 333) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0023981 k( 334) = ( 0.0858586 0.0858586 0.5000000), wk = 0.0023981 k( 335) = ( 0.0808081 0.0808081 0.5000000), wk = 0.0023981 k( 336) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0023981 k( 337) = ( 0.0707071 0.0707071 0.5000000), wk = 0.0023981 k( 338) = ( 0.0656566 0.0656566 0.5000000), wk = 0.0023981 k( 339) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0023981 k( 340) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0023981 k( 341) = ( 0.0505051 0.0505050 0.5000000), wk = 0.0023981 k( 342) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0023981 k( 343) = ( 0.0404040 0.0404040 0.5000000), wk = 0.0023981 k( 344) = ( 0.0353535 0.0353535 0.5000000), wk = 0.0023981 k( 345) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0023981 k( 346) = ( 0.0252525 0.0252525 0.5000000), wk = 0.0023981 k( 347) = ( 0.0202020 0.0202020 0.5000000), wk = 0.0023981 k( 348) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0023981 k( 349) = ( 0.0101010 0.0101010 0.5000000), wk = 0.0023981 k( 350) = ( 0.0050505 0.0050505 0.5000000), wk = 0.0023981 k( 351) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023981 k( 352) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023981 k( 353) = ( 0.5000000 0.0000000 0.4843750), wk = 0.0023981 k( 354) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0023981 k( 355) = ( 0.5000000 0.0000000 0.4531250), wk = 0.0023981 k( 356) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0023981 k( 357) = ( 0.5000000 0.0000000 0.4218750), wk = 0.0023981 k( 358) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0023981 k( 359) = ( 0.5000000 0.0000000 0.3906250), wk = 0.0023981 k( 360) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0023981 k( 361) = ( 0.5000000 0.0000000 0.3593750), wk = 0.0023981 k( 362) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0023981 k( 363) = ( 0.5000000 0.0000000 0.3281250), wk = 0.0023981 k( 364) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0023981 k( 365) = ( 0.5000000 0.0000000 0.2968750), wk = 0.0023981 k( 366) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0023981 k( 367) = ( 0.5000000 0.0000000 0.2656250), wk = 0.0023981 k( 368) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023981 k( 369) = ( 0.5000000 0.0000000 0.2343750), wk = 0.0023981 k( 370) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0023981 k( 371) = ( 0.5000000 0.0000000 0.2031250), wk = 0.0023981 k( 372) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0023981 k( 373) = ( 0.5000000 0.0000000 0.1718750), wk = 0.0023981 k( 374) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0023981 k( 375) = ( 0.5000000 0.0000000 0.1406250), wk = 0.0023981 k( 376) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0023981 k( 377) = ( 0.5000000 0.0000000 0.1093750), wk = 0.0023981 k( 378) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0023981 k( 379) = ( 0.5000000 0.0000000 0.0781250), wk = 0.0023981 k( 380) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0023981 k( 381) = ( 0.5000000 0.0000000 0.0468750), wk = 0.0023981 k( 382) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0023981 k( 383) = ( 0.5000000 0.0000000 0.0156250), wk = 0.0023981 k( 384) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023981 k( 385) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023981 k( 386) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0023981 k( 387) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0023981 k( 388) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0023981 k( 389) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0023981 k( 390) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0023981 k( 391) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0023981 k( 392) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0023981 k( 393) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0023981 k( 394) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0023981 k( 395) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0023981 k( 396) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0023981 k( 397) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0023981 k( 398) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0023981 k( 399) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0023981 k( 400) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0023981 k( 401) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0023981 k( 402) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0023981 k( 403) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0023981 k( 404) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0023981 k( 405) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0023981 k( 406) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0023981 k( 407) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0023981 k( 408) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0023981 k( 409) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0023981 k( 410) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0023981 k( 411) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0023981 k( 412) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0023981 k( 413) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0023981 k( 414) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0023981 k( 415) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0023981 k( 416) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0023981 k( 417) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023981 Dense grid: 22261 G-vectors FFT dimensions: ( 32, 32, 50) Smooth grid: 13537 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 104, 32) NL pseudopotentials 0.05 Mb ( 52, 68) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.00 Mb ( 625) G-vector shells 0.00 Mb ( 316) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 104, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) The potential is recalculated from file : ./Hf.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.0 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.5 secs Computing kpt #: 10 total cpu time spent up to now is 2.6 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 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.9 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.3 secs Computing kpt #: 27 total cpu time spent up to now is 5.4 secs Computing kpt #: 28 total cpu time spent up to now is 5.6 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.8 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.4 secs Computing kpt #: 35 total cpu time spent up to now is 6.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.7 secs Computing kpt #: 37 total cpu time spent up to now is 6.8 secs Computing kpt #: 38 total cpu time spent up to now is 7.0 secs Computing kpt #: 39 total cpu time spent up to now is 7.2 secs Computing kpt #: 40 total cpu time spent up to now is 7.4 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.9 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.4 secs Computing kpt #: 45 total cpu time spent up to now is 8.7 secs Computing kpt #: 46 total cpu time spent up to now is 9.0 secs Computing kpt #: 47 total cpu time spent up to now is 9.2 secs Computing kpt #: 48 total cpu time spent up to now is 9.5 secs Computing kpt #: 49 total cpu time spent up to now is 9.8 secs Computing kpt #: 50 total cpu time spent up to now is 10.1 secs Computing kpt #: 51 total cpu time spent up to now is 10.4 secs Computing kpt #: 52 total cpu time spent up to now is 10.7 secs Computing kpt #: 53 total cpu time spent up to now is 10.9 secs Computing kpt #: 54 total cpu time spent up to now is 11.1 secs Computing kpt #: 55 total cpu time spent up to now is 11.3 secs Computing kpt #: 56 total cpu time spent up to now is 11.5 secs Computing kpt #: 57 total cpu time spent up to now is 11.6 secs Computing kpt #: 58 total cpu time spent up to now is 11.8 secs Computing kpt #: 59 total cpu time spent up to now is 11.9 secs Computing kpt #: 60 total cpu time spent up to now is 12.0 secs Computing kpt #: 61 total cpu time spent up to now is 12.2 secs Computing kpt #: 62 total cpu time spent up to now is 12.4 secs Computing kpt #: 63 total cpu time spent up to now is 12.6 secs Computing kpt #: 64 total cpu time spent up to now is 12.8 secs Computing kpt #: 65 total cpu time spent up to now is 13.1 secs Computing kpt #: 66 total cpu time spent up to now is 13.4 secs Computing kpt #: 67 total cpu time spent up to now is 13.7 secs Computing kpt #: 68 total cpu time spent up to now is 14.0 secs Computing kpt #: 69 total cpu time spent up to now is 14.3 secs Computing kpt #: 70 total cpu time spent up to now is 14.5 secs Computing kpt #: 71 total cpu time spent up to now is 14.7 secs Computing kpt #: 72 total cpu time spent up to now is 14.9 secs Computing kpt #: 73 total cpu time spent up to now is 15.1 secs Computing kpt #: 74 total cpu time spent up to now is 15.2 secs Computing kpt #: 75 total cpu time spent up to now is 15.4 secs Computing kpt #: 76 total cpu time spent up to now is 15.6 secs Computing kpt #: 77 total cpu time spent up to now is 15.7 secs Computing kpt #: 78 total cpu time spent up to now is 15.9 secs Computing kpt #: 79 total cpu time spent up to now is 16.1 secs Computing kpt #: 80 total cpu time spent up to now is 16.2 secs Computing kpt #: 81 total cpu time spent up to now is 16.4 secs Computing kpt #: 82 total cpu time spent up to now is 16.5 secs Computing kpt #: 83 total cpu time spent up to now is 16.7 secs Computing kpt #: 84 total cpu time spent up to now is 16.8 secs Computing kpt #: 85 total cpu time spent up to now is 17.0 secs Computing kpt #: 86 total cpu time spent up to now is 17.1 secs Computing kpt #: 87 total cpu time spent up to now is 17.3 secs Computing kpt #: 88 total cpu time spent up to now is 17.5 secs Computing kpt #: 89 total cpu time spent up to now is 17.7 secs Computing kpt #: 90 total cpu time spent up to now is 17.8 secs Computing kpt #: 91 total cpu time spent up to now is 18.0 secs Computing kpt #: 92 total cpu time spent up to now is 18.2 secs Computing kpt #: 93 total cpu time spent up to now is 18.3 secs Computing kpt #: 94 total cpu time spent up to now is 18.5 secs Computing kpt #: 95 total cpu time spent up to now is 18.7 secs Computing kpt #: 96 total cpu time spent up to now is 18.9 secs Computing kpt #: 97 total cpu time spent up to now is 19.1 secs Computing kpt #: 98 total cpu time spent up to now is 19.3 secs Computing kpt #: 99 total cpu time spent up to now is 19.5 secs Computing kpt #: 100 total cpu time spent up to now is 19.6 secs Computing kpt #: 101 total cpu time spent up to now is 19.8 secs Computing kpt #: 102 total cpu time spent up to now is 19.9 secs Computing kpt #: 103 total cpu time spent up to now is 20.1 secs Computing kpt #: 104 total cpu time spent up to now is 20.2 secs Computing kpt #: 105 total cpu time spent up to now is 20.4 secs Computing kpt #: 106 total cpu time spent up to now is 20.5 secs Computing kpt #: 107 total cpu time spent up to now is 20.6 secs Computing kpt #: 108 total cpu time spent up to now is 20.7 secs Computing kpt #: 109 total cpu time spent up to now is 20.9 secs Computing kpt #: 110 total cpu time spent up to now is 21.0 secs Computing kpt #: 111 total cpu time spent up to now is 21.1 secs Computing kpt #: 112 total cpu time spent up to now is 21.2 secs Computing kpt #: 113 total cpu time spent up to now is 21.3 secs Computing kpt #: 114 total cpu time spent up to now is 21.4 secs Computing kpt #: 115 total cpu time spent up to now is 21.6 secs Computing kpt #: 116 total cpu time spent up to now is 21.7 secs Computing kpt #: 117 total cpu time spent up to now is 21.8 secs Computing kpt #: 118 total cpu time spent up to now is 21.9 secs Computing kpt #: 119 total cpu time spent up to now is 22.0 secs Computing kpt #: 120 total cpu time spent up to now is 22.2 secs Computing kpt #: 121 total cpu time spent up to now is 22.3 secs Computing kpt #: 122 total cpu time spent up to now is 22.4 secs Computing kpt #: 123 total cpu time spent up to now is 22.5 secs Computing kpt #: 124 total cpu time spent up to now is 22.6 secs Computing kpt #: 125 total cpu time spent up to now is 22.8 secs Computing kpt #: 126 total cpu time spent up to now is 22.9 secs Computing kpt #: 127 total cpu time spent up to now is 23.0 secs Computing kpt #: 128 total cpu time spent up to now is 23.1 secs Computing kpt #: 129 total cpu time spent up to now is 23.3 secs Computing kpt #: 130 total cpu time spent up to now is 23.4 secs Computing kpt #: 131 total cpu time spent up to now is 23.6 secs Computing kpt #: 132 total cpu time spent up to now is 23.8 secs Computing kpt #: 133 total cpu time spent up to now is 23.9 secs Computing kpt #: 134 total cpu time spent up to now is 24.1 secs Computing kpt #: 135 total cpu time spent up to now is 24.3 secs Computing kpt #: 136 total cpu time spent up to now is 24.4 secs Computing kpt #: 137 total cpu time spent up to now is 24.6 secs Computing kpt #: 138 total cpu time spent up to now is 24.8 secs Computing kpt #: 139 total cpu time spent up to now is 25.0 secs Computing kpt #: 140 total cpu time spent up to now is 25.1 secs Computing kpt #: 141 total cpu time spent up to now is 25.3 secs Computing kpt #: 142 total cpu time spent up to now is 25.5 secs Computing kpt #: 143 total cpu time spent up to now is 25.7 secs Computing kpt #: 144 total cpu time spent up to now is 25.8 secs Computing kpt #: 145 total cpu time spent up to now is 26.0 secs Computing kpt #: 146 total cpu time spent up to now is 26.2 secs Computing kpt #: 147 total cpu time spent up to now is 26.3 secs Computing kpt #: 148 total cpu time spent up to now is 26.5 secs Computing kpt #: 149 total cpu time spent up to now is 26.7 secs Computing kpt #: 150 total cpu time spent up to now is 26.8 secs Computing kpt #: 151 total cpu time spent up to now is 27.0 secs Computing kpt #: 152 total cpu time spent up to now is 27.2 secs Computing kpt #: 153 total cpu time spent up to now is 27.3 secs Computing kpt #: 154 total cpu time spent up to now is 27.5 secs Computing kpt #: 155 total cpu time spent up to now is 27.6 secs Computing kpt #: 156 total cpu time spent up to now is 27.7 secs Computing kpt #: 157 total cpu time spent up to now is 27.8 secs Computing kpt #: 158 total cpu time spent up to now is 28.0 secs Computing kpt #: 159 total cpu time spent up to now is 28.1 secs Computing kpt #: 160 total cpu time spent up to now is 28.2 secs Computing kpt #: 161 total cpu time spent up to now is 28.3 secs Computing kpt #: 162 total cpu time spent up to now is 28.5 secs Computing kpt #: 163 total cpu time spent up to now is 28.6 secs Computing kpt #: 164 total cpu time spent up to now is 28.7 secs Computing kpt #: 165 total cpu time spent up to now is 28.8 secs Computing kpt #: 166 total cpu time spent up to now is 29.0 secs Computing kpt #: 167 total cpu time spent up to now is 29.1 secs Computing kpt #: 168 total cpu time spent up to now is 29.2 secs Computing kpt #: 169 total cpu time spent up to now is 29.3 secs Computing kpt #: 170 total cpu time spent up to now is 29.5 secs Computing kpt #: 171 total cpu time spent up to now is 29.6 secs Computing kpt #: 172 total cpu time spent up to now is 29.7 secs Computing kpt #: 173 total cpu time spent up to now is 29.9 secs Computing kpt #: 174 total cpu time spent up to now is 30.0 secs Computing kpt #: 175 total cpu time spent up to now is 30.1 secs Computing kpt #: 176 total cpu time spent up to now is 30.2 secs Computing kpt #: 177 total cpu time spent up to now is 30.3 secs Computing kpt #: 178 total cpu time spent up to now is 30.4 secs Computing kpt #: 179 total cpu time spent up to now is 30.5 secs Computing kpt #: 180 total cpu time spent up to now is 30.6 secs Computing kpt #: 181 total cpu time spent up to now is 30.7 secs Computing kpt #: 182 total cpu time spent up to now is 30.8 secs Computing kpt #: 183 total cpu time spent up to now is 30.9 secs Computing kpt #: 184 total cpu time spent up to now is 31.1 secs Computing kpt #: 185 total cpu time spent up to now is 31.2 secs Computing kpt #: 186 total cpu time spent up to now is 31.3 secs Computing kpt #: 187 total cpu time spent up to now is 31.4 secs Computing kpt #: 188 total cpu time spent up to now is 31.5 secs Computing kpt #: 189 total cpu time spent up to now is 31.6 secs Computing kpt #: 190 total cpu time spent up to now is 31.7 secs Computing kpt #: 191 total cpu time spent up to now is 31.8 secs Computing kpt #: 192 total cpu time spent up to now is 31.9 secs Computing kpt #: 193 total cpu time spent up to now is 32.0 secs Computing kpt #: 194 total cpu time spent up to now is 32.1 secs Computing kpt #: 195 total cpu time spent up to now is 32.2 secs Computing kpt #: 196 total cpu time spent up to now is 32.3 secs Computing kpt #: 197 total cpu time spent up to now is 32.4 secs Computing kpt #: 198 total cpu time spent up to now is 32.6 secs Computing kpt #: 199 total cpu time spent up to now is 32.7 secs Computing kpt #: 200 total cpu time spent up to now is 32.8 secs Computing kpt #: 201 total cpu time spent up to now is 32.9 secs Computing kpt #: 202 total cpu time spent up to now is 33.0 secs Computing kpt #: 203 total cpu time spent up to now is 33.1 secs Computing kpt #: 204 total cpu time spent up to now is 33.2 secs Computing kpt #: 205 total cpu time spent up to now is 33.3 secs Computing kpt #: 206 total cpu time spent up to now is 33.4 secs Computing kpt #: 207 total cpu time spent up to now is 33.5 secs Computing kpt #: 208 total cpu time spent up to now is 33.6 secs Computing kpt #: 209 total cpu time spent up to now is 33.7 secs Computing kpt #: 210 total cpu time spent up to now is 33.9 secs Computing kpt #: 211 total cpu time spent up to now is 34.0 secs Computing kpt #: 212 total cpu time spent up to now is 34.1 secs Computing kpt #: 213 total cpu time spent up to now is 34.2 secs Computing kpt #: 214 total cpu time spent up to now is 34.3 secs Computing kpt #: 215 total cpu time spent up to now is 34.4 secs Computing kpt #: 216 total cpu time spent up to now is 34.5 secs Computing kpt #: 217 total cpu time spent up to now is 34.6 secs Computing kpt #: 218 total cpu time spent up to now is 34.7 secs Computing kpt #: 219 total cpu time spent up to now is 34.9 secs Computing kpt #: 220 total cpu time spent up to now is 35.0 secs Computing kpt #: 221 total cpu time spent up to now is 35.1 secs Computing kpt #: 222 total cpu time spent up to now is 35.2 secs Computing kpt #: 223 total cpu time spent up to now is 35.3 secs Computing kpt #: 224 total cpu time spent up to now is 35.4 secs Computing kpt #: 225 total cpu time spent up to now is 35.6 secs Computing kpt #: 226 total cpu time spent up to now is 35.7 secs Computing kpt #: 227 total cpu time spent up to now is 35.8 secs Computing kpt #: 228 total cpu time spent up to now is 35.9 secs Computing kpt #: 229 total cpu time spent up to now is 36.0 secs Computing kpt #: 230 total cpu time spent up to now is 36.2 secs Computing kpt #: 231 total cpu time spent up to now is 36.3 secs Computing kpt #: 232 total cpu time spent up to now is 36.4 secs Computing kpt #: 233 total cpu time spent up to now is 36.5 secs Computing kpt #: 234 total cpu time spent up to now is 36.7 secs Computing kpt #: 235 total cpu time spent up to now is 36.8 secs Computing kpt #: 236 total cpu time spent up to now is 36.9 secs Computing kpt #: 237 total cpu time spent up to now is 37.1 secs Computing kpt #: 238 total cpu time spent up to now is 37.2 secs Computing kpt #: 239 total cpu time spent up to now is 37.4 secs Computing kpt #: 240 total cpu time spent up to now is 37.5 secs Computing kpt #: 241 total cpu time spent up to now is 37.7 secs Computing kpt #: 242 total cpu time spent up to now is 37.8 secs Computing kpt #: 243 total cpu time spent up to now is 37.9 secs Computing kpt #: 244 total cpu time spent up to now is 38.1 secs Computing kpt #: 245 total cpu time spent up to now is 38.2 secs Computing kpt #: 246 total cpu time spent up to now is 38.4 secs Computing kpt #: 247 total cpu time spent up to now is 38.5 secs Computing kpt #: 248 total cpu time spent up to now is 38.6 secs Computing kpt #: 249 total cpu time spent up to now is 38.8 secs Computing kpt #: 250 total cpu time spent up to now is 38.9 secs Computing kpt #: 251 total cpu time spent up to now is 39.0 secs Computing kpt #: 252 total cpu time spent up to now is 39.2 secs Computing kpt #: 253 total cpu time spent up to now is 39.3 secs Computing kpt #: 254 total cpu time spent up to now is 39.4 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 39.7 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 40.2 secs Computing kpt #: 261 total cpu time spent up to now is 40.3 secs Computing kpt #: 262 total cpu time spent up to now is 40.5 secs Computing kpt #: 263 total cpu time spent up to now is 40.6 secs Computing kpt #: 264 total cpu time spent up to now is 40.7 secs Computing kpt #: 265 total cpu time spent up to now is 40.8 secs Computing kpt #: 266 total cpu time spent up to now is 41.0 secs Computing kpt #: 267 total cpu time spent up to now is 41.1 secs Computing kpt #: 268 total cpu time spent up to now is 41.2 secs Computing kpt #: 269 total cpu time spent up to now is 41.3 secs Computing kpt #: 270 total cpu time spent up to now is 41.4 secs Computing kpt #: 271 total cpu time spent up to now is 41.5 secs Computing kpt #: 272 total cpu time spent up to now is 41.7 secs Computing kpt #: 273 total cpu time spent up to now is 41.8 secs Computing kpt #: 274 total cpu time spent up to now is 41.9 secs Computing kpt #: 275 total cpu time spent up to now is 42.0 secs Computing kpt #: 276 total cpu time spent up to now is 42.1 secs Computing kpt #: 277 total cpu time spent up to now is 42.2 secs Computing kpt #: 278 total cpu time spent up to now is 42.3 secs Computing kpt #: 279 total cpu time spent up to now is 42.4 secs Computing kpt #: 280 total cpu time spent up to now is 42.6 secs Computing kpt #: 281 total cpu time spent up to now is 42.7 secs Computing kpt #: 282 total cpu time spent up to now is 42.8 secs Computing kpt #: 283 total cpu time spent up to now is 43.0 secs Computing kpt #: 284 total cpu time spent up to now is 43.1 secs Computing kpt #: 285 total cpu time spent up to now is 43.2 secs Computing kpt #: 286 total cpu time spent up to now is 43.3 secs Computing kpt #: 287 total cpu time spent up to now is 43.4 secs Computing kpt #: 288 total cpu time spent up to now is 43.5 secs Computing kpt #: 289 total cpu time spent up to now is 43.6 secs Computing kpt #: 290 total cpu time spent up to now is 43.8 secs Computing kpt #: 291 total cpu time spent up to now is 43.9 secs Computing kpt #: 292 total cpu time spent up to now is 44.0 secs Computing kpt #: 293 total cpu time spent up to now is 44.1 secs Computing kpt #: 294 total cpu time spent up to now is 44.2 secs Computing kpt #: 295 total cpu time spent up to now is 44.3 secs Computing kpt #: 296 total cpu time spent up to now is 44.5 secs Computing kpt #: 297 total cpu time spent up to now is 44.6 secs Computing kpt #: 298 total cpu time spent up to now is 44.7 secs Computing kpt #: 299 total cpu time spent up to now is 44.8 secs Computing kpt #: 300 total cpu time spent up to now is 44.9 secs Computing kpt #: 301 total cpu time spent up to now is 45.1 secs Computing kpt #: 302 total cpu time spent up to now is 45.2 secs Computing kpt #: 303 total cpu time spent up to now is 45.3 secs Computing kpt #: 304 total cpu time spent up to now is 45.4 secs Computing kpt #: 305 total cpu time spent up to now is 45.6 secs Computing kpt #: 306 total cpu time spent up to now is 45.7 secs Computing kpt #: 307 total cpu time spent up to now is 45.8 secs Computing kpt #: 308 total cpu time spent up to now is 46.0 secs Computing kpt #: 309 total cpu time spent up to now is 46.1 secs Computing kpt #: 310 total cpu time spent up to now is 46.2 secs Computing kpt #: 311 total cpu time spent up to now is 46.4 secs Computing kpt #: 312 total cpu time spent up to now is 46.5 secs Computing kpt #: 313 total cpu time spent up to now is 46.6 secs Computing kpt #: 314 total cpu time spent up to now is 46.8 secs Computing kpt #: 315 total cpu time spent up to now is 46.9 secs Computing kpt #: 316 total cpu time spent up to now is 47.0 secs Computing kpt #: 317 total cpu time spent up to now is 47.2 secs Computing kpt #: 318 total cpu time spent up to now is 47.3 secs Computing kpt #: 319 total cpu time spent up to now is 47.4 secs Computing kpt #: 320 total cpu time spent up to now is 47.5 secs Computing kpt #: 321 total cpu time spent up to now is 47.6 secs Computing kpt #: 322 total cpu time spent up to now is 47.7 secs Computing kpt #: 323 total cpu time spent up to now is 47.9 secs Computing kpt #: 324 total cpu time spent up to now is 48.0 secs Computing kpt #: 325 total cpu time spent up to now is 48.1 secs Computing kpt #: 326 total cpu time spent up to now is 48.2 secs Computing kpt #: 327 total cpu time spent up to now is 48.3 secs Computing kpt #: 328 total cpu time spent up to now is 48.4 secs Computing kpt #: 329 total cpu time spent up to now is 48.5 secs Computing kpt #: 330 total cpu time spent up to now is 48.7 secs Computing kpt #: 331 total cpu time spent up to now is 48.8 secs Computing kpt #: 332 total cpu time spent up to now is 48.9 secs Computing kpt #: 333 total cpu time spent up to now is 49.0 secs Computing kpt #: 334 total cpu time spent up to now is 49.1 secs Computing kpt #: 335 total cpu time spent up to now is 49.2 secs Computing kpt #: 336 total cpu time spent up to now is 49.3 secs Computing kpt #: 337 total cpu time spent up to now is 49.4 secs Computing kpt #: 338 total cpu time spent up to now is 49.5 secs Computing kpt #: 339 total cpu time spent up to now is 49.7 secs Computing kpt #: 340 total cpu time spent up to now is 49.8 secs Computing kpt #: 341 total cpu time spent up to now is 49.9 secs Computing kpt #: 342 total cpu time spent up to now is 50.0 secs Computing kpt #: 343 total cpu time spent up to now is 50.1 secs Computing kpt #: 344 total cpu time spent up to now is 50.2 secs Computing kpt #: 345 total cpu time spent up to now is 50.3 secs Computing kpt #: 346 total cpu time spent up to now is 50.4 secs Computing kpt #: 347 total cpu time spent up to now is 50.5 secs Computing kpt #: 348 total cpu time spent up to now is 50.6 secs Computing kpt #: 349 total cpu time spent up to now is 50.7 secs Computing kpt #: 350 total cpu time spent up to now is 50.8 secs Computing kpt #: 351 total cpu time spent up to now is 50.9 secs Computing kpt #: 352 total cpu time spent up to now is 51.1 secs Computing kpt #: 353 total cpu time spent up to now is 51.2 secs Computing kpt #: 354 total cpu time spent up to now is 51.3 secs Computing kpt #: 355 total cpu time spent up to now is 51.5 secs Computing kpt #: 356 total cpu time spent up to now is 51.6 secs Computing kpt #: 357 total cpu time spent up to now is 51.7 secs Computing kpt #: 358 total cpu time spent up to now is 51.8 secs Computing kpt #: 359 total cpu time spent up to now is 52.0 secs Computing kpt #: 360 total cpu time spent up to now is 52.1 secs Computing kpt #: 361 total cpu time spent up to now is 52.2 secs Computing kpt #: 362 total cpu time spent up to now is 52.3 secs Computing kpt #: 363 total cpu time spent up to now is 52.5 secs Computing kpt #: 364 total cpu time spent up to now is 52.6 secs Computing kpt #: 365 total cpu time spent up to now is 52.7 secs Computing kpt #: 366 total cpu time spent up to now is 52.8 secs Computing kpt #: 367 total cpu time spent up to now is 53.0 secs Computing kpt #: 368 total cpu time spent up to now is 53.1 secs Computing kpt #: 369 total cpu time spent up to now is 53.3 secs Computing kpt #: 370 total cpu time spent up to now is 53.5 secs Computing kpt #: 371 total cpu time spent up to now is 53.6 secs Computing kpt #: 372 total cpu time spent up to now is 53.8 secs Computing kpt #: 373 total cpu time spent up to now is 54.0 secs Computing kpt #: 374 total cpu time spent up to now is 54.2 secs Computing kpt #: 375 total cpu time spent up to now is 54.4 secs Computing kpt #: 376 total cpu time spent up to now is 54.7 secs Computing kpt #: 377 total cpu time spent up to now is 54.9 secs Computing kpt #: 378 total cpu time spent up to now is 55.1 secs Computing kpt #: 379 total cpu time spent up to now is 55.3 secs Computing kpt #: 380 total cpu time spent up to now is 55.5 secs Computing kpt #: 381 total cpu time spent up to now is 55.6 secs Computing kpt #: 382 total cpu time spent up to now is 55.8 secs Computing kpt #: 383 total cpu time spent up to now is 55.9 secs Computing kpt #: 384 total cpu time spent up to now is 56.1 secs Computing kpt #: 385 total cpu time spent up to now is 56.2 secs Computing kpt #: 386 total cpu time spent up to now is 56.4 secs Computing kpt #: 387 total cpu time spent up to now is 56.6 secs Computing kpt #: 388 total cpu time spent up to now is 56.7 secs Computing kpt #: 389 total cpu time spent up to now is 56.9 secs Computing kpt #: 390 total cpu time spent up to now is 57.1 secs Computing kpt #: 391 total cpu time spent up to now is 57.3 secs Computing kpt #: 392 total cpu time spent up to now is 57.6 secs Computing kpt #: 393 total cpu time spent up to now is 57.9 secs Computing kpt #: 394 total cpu time spent up to now is 58.1 secs Computing kpt #: 395 total cpu time spent up to now is 58.2 secs Computing kpt #: 396 total cpu time spent up to now is 58.4 secs Computing kpt #: 397 total cpu time spent up to now is 58.5 secs Computing kpt #: 398 total cpu time spent up to now is 58.6 secs Computing kpt #: 399 total cpu time spent up to now is 58.8 secs Computing kpt #: 400 total cpu time spent up to now is 58.9 secs Computing kpt #: 401 total cpu time spent up to now is 59.0 secs Computing kpt #: 402 total cpu time spent up to now is 59.1 secs Computing kpt #: 403 total cpu time spent up to now is 59.2 secs Computing kpt #: 404 total cpu time spent up to now is 59.4 secs Computing kpt #: 405 total cpu time spent up to now is 59.5 secs Computing kpt #: 406 total cpu time spent up to now is 59.6 secs Computing kpt #: 407 total cpu time spent up to now is 59.7 secs Computing kpt #: 408 total cpu time spent up to now is 59.8 secs Computing kpt #: 409 total cpu time spent up to now is 59.9 secs Computing kpt #: 410 total cpu time spent up to now is 60.0 secs Computing kpt #: 411 total cpu time spent up to now is 60.1 secs Computing kpt #: 412 total cpu time spent up to now is 60.2 secs Computing kpt #: 413 total cpu time spent up to now is 60.4 secs Computing kpt #: 414 total cpu time spent up to now is 60.5 secs Computing kpt #: 415 total cpu time spent up to now is 60.6 secs Computing kpt #: 416 total cpu time spent up to now is 60.7 secs Computing kpt #: 417 total cpu time spent up to now is 60.8 secs ethr = 4.17E-08, avg # of iterations = 15.3 total cpu time spent up to now is 60.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1725 PWs) bands (ev): -47.1684 -47.1684 -47.0971 -47.0971 -21.4672 -21.4672 -21.2289 -21.2289 -14.0541 -14.0541 -13.4589 -13.4589 -13.3057 -13.3057 -13.3054 -13.3054 7.2500 7.2500 10.9146 10.9146 15.1408 15.1408 15.6065 15.6065 15.9856 15.9856 16.0096 16.0096 16.3682 16.3682 16.8290 16.8290 k = 0.0088 0.0051-0.0000 ( 1725 PWs) bands (ev): -47.1683 -47.1683 -47.0971 -47.0971 -21.4673 -21.4673 -21.2290 -21.2290 -14.0540 -14.0540 -13.4592 -13.4592 -13.3061 -13.3061 -13.3055 -13.3055 7.2523 7.2523 10.9169 10.9169 15.1378 15.1378 15.6030 15.6030 15.9603 15.9603 16.0387 16.0387 16.3677 16.3677 16.8286 16.8286 k = 0.0175 0.0101-0.0000 ( 1723 PWs) bands (ev): -47.1682 -47.1682 -47.0970 -47.0970 -21.4673 -21.4673 -21.2294 -21.2294 -14.0538 -14.0538 -13.4601 -13.4601 -13.3075 -13.3075 -13.3059 -13.3059 7.2593 7.2593 10.9238 10.9238 15.1287 15.1287 15.5919 15.5919 15.9318 15.9318 16.0790 16.0790 16.3662 16.3662 16.8275 16.8275 k = 0.0263 0.0152-0.0000 ( 1719 PWs) bands (ev): -47.1680 -47.1680 -47.0969 -47.0969 -21.4674 -21.4674 -21.2301 -21.2301 -14.0534 -14.0534 -13.4617 -13.4617 -13.3097 -13.3097 -13.3064 -13.3064 7.2710 7.2710 10.9353 10.9353 15.1137 15.1137 15.5720 15.5720 15.9109 15.9109 16.1208 16.1208 16.3633 16.3633 16.8261 16.8261 k = 0.0351 0.0203-0.0000 ( 1723 PWs) bands (ev): -47.1677 -47.1677 -47.0968 -47.0968 -21.4678 -21.4678 -21.2311 -21.2311 -14.0531 -14.0531 -13.4640 -13.4640 -13.3130 -13.3130 -13.3071 -13.3071 7.2874 7.2874 10.9514 10.9514 15.0927 15.0927 15.5425 15.5425 15.8998 15.8998 16.1629 16.1629 16.3584 16.3584 16.8251 16.8251 k = 0.0439 0.0253-0.0000 ( 1723 PWs) bands (ev): -47.1674 -47.1674 -47.0967 -47.0967 -21.4681 -21.4681 -21.2323 -21.2323 -14.0527 -14.0527 -13.4668 -13.4668 -13.3171 -13.3171 -13.3080 -13.3080 7.3083 7.3083 10.9719 10.9719 15.0660 15.0660 15.5036 15.5036 15.8990 15.8990 16.2044 16.2044 16.3510 16.3510 16.8255 16.8255 k = 0.0526 0.0304-0.0000 ( 1727 PWs) bands (ev): -47.1670 -47.1670 -47.0965 -47.0965 -21.4686 -21.4686 -21.2340 -21.2340 -14.0521 -14.0521 -13.4702 -13.4702 -13.3221 -13.3221 -13.3093 -13.3093 7.3339 7.3339 10.9968 10.9968 15.0337 15.0337 15.4565 15.4565 15.9075 15.9075 16.2443 16.2443 16.3410 16.3410 16.8281 16.8281 k = 0.0614 0.0355-0.0000 ( 1731 PWs) bands (ev): -47.1665 -47.1665 -47.0964 -47.0964 -21.4692 -21.4692 -21.2358 -21.2358 -14.0515 -14.0515 -13.4743 -13.4743 -13.3279 -13.3279 -13.3107 -13.3107 7.3640 7.3640 11.0261 11.0261 14.9961 14.9961 15.4029 15.4029 15.9241 15.9241 16.2784 16.2784 16.3314 16.3314 16.8337 16.8337 k = 0.0702 0.0405-0.0000 ( 1727 PWs) bands (ev): -47.1659 -47.1659 -47.0961 -47.0961 -21.4697 -21.4697 -21.2378 -21.2378 -14.0507 -14.0507 -13.4789 -13.4789 -13.3345 -13.3345 -13.3122 -13.3122 7.3986 7.3986 11.0597 11.0597 14.9534 14.9534 15.3441 15.3441 15.9476 15.9476 16.2858 16.2858 16.3421 16.3421 16.8426 16.8426 k = 0.0789 0.0456-0.0000 ( 1727 PWs) bands (ev): -47.1653 -47.1653 -47.0959 -47.0959 -21.4704 -21.4704 -21.2400 -21.2400 -14.0498 -14.0498 -13.4840 -13.4840 -13.3419 -13.3419 -13.3139 -13.3139 7.4377 7.4377 11.0974 11.0974 14.9059 14.9059 15.2815 15.2815 15.9770 15.9770 16.2652 16.2652 16.3736 16.3736 16.8547 16.8547 k = 0.0877 0.0506-0.0000 ( 1725 PWs) bands (ev): -47.1645 -47.1645 -47.0956 -47.0956 -21.4711 -21.4711 -21.2425 -21.2425 -14.0489 -14.0489 -13.4897 -13.4897 -13.3500 -13.3500 -13.3158 -13.3158 7.4811 7.4811 11.1390 11.1390 14.8539 14.8539 15.2158 15.2158 16.0115 16.0115 16.2350 16.2350 16.4070 16.4070 16.8684 16.8684 k = 0.0965 0.0557-0.0000 ( 1725 PWs) bands (ev): -47.1638 -47.1638 -47.0953 -47.0953 -21.4720 -21.4720 -21.2452 -21.2452 -14.0479 -14.0479 -13.4959 -13.4959 -13.3589 -13.3589 -13.3180 -13.3180 7.5288 7.5288 11.1846 11.1846 14.7977 14.7977 15.1479 15.1479 16.0502 16.0502 16.1993 16.1993 16.4377 16.4377 16.8806 16.8806 k = 0.1053 0.0608-0.0000 ( 1725 PWs) bands (ev): -47.1629 -47.1629 -47.0950 -47.0950 -21.4728 -21.4728 -21.2483 -21.2483 -14.0467 -14.0467 -13.5026 -13.5026 -13.3686 -13.3686 -13.3204 -13.3204 7.5808 7.5808 11.2338 11.2338 14.7378 14.7378 15.0782 15.0782 16.0904 16.0904 16.1612 16.1612 16.4634 16.4634 16.8860 16.8860 k = 0.1140 0.0658-0.0000 ( 1725 PWs) bands (ev): -47.1620 -47.1620 -47.0947 -47.0947 -21.4738 -21.4738 -21.2515 -21.2515 -14.0455 -14.0455 -13.5097 -13.5097 -13.3789 -13.3789 -13.3229 -13.3229 7.6369 7.6369 11.2864 11.2864 14.6744 14.6744 15.0073 15.0073 16.1002 16.1002 16.1531 16.1531 16.4824 16.4824 16.8797 16.8797 k = 0.1228 0.0709-0.0000 ( 1721 PWs) bands (ev): -47.1610 -47.1610 -47.0943 -47.0943 -21.4748 -21.4748 -21.2547 -21.2547 -14.0442 -14.0442 -13.5172 -13.5172 -13.3899 -13.3899 -13.3255 -13.3255 7.6970 7.6970 11.3422 11.3422 14.6079 14.6079 14.9356 14.9356 16.0575 16.0575 16.1967 16.1967 16.4934 16.4934 16.8604 16.8604 k = 0.1316 0.0760-0.0000 ( 1721 PWs) bands (ev): -47.1599 -47.1599 -47.0939 -47.0939 -21.4759 -21.4759 -21.2584 -21.2584 -14.0428 -14.0428 -13.5251 -13.5251 -13.4015 -13.4015 -13.3285 -13.3285 7.7611 7.7611 11.4010 11.4010 14.5387 14.5387 14.8636 14.8636 16.0072 16.0072 16.2457 16.2457 16.4973 16.4973 16.8299 16.8299 k = 0.1404 0.0810-0.0000 ( 1725 PWs) bands (ev): -47.1588 -47.1588 -47.0936 -47.0936 -21.4771 -21.4771 -21.2622 -21.2622 -14.0414 -14.0414 -13.5335 -13.5335 -13.4137 -13.4137 -13.3316 -13.3316 7.8290 7.8290 11.4625 11.4625 14.4672 14.4672 14.7916 14.7916 15.9542 15.9542 16.2916 16.2916 16.4991 16.4991 16.7915 16.7915 k = 0.1491 0.0861-0.0000 ( 1725 PWs) bands (ev): -47.1577 -47.1577 -47.0932 -47.0932 -21.4783 -21.4783 -21.2662 -21.2662 -14.0399 -14.0399 -13.5420 -13.5420 -13.4264 -13.4264 -13.3349 -13.3349 7.9007 7.9007 11.5262 11.5262 14.3938 14.3938 14.7201 14.7201 15.8996 15.8996 16.3242 16.3242 16.5099 16.5099 16.7484 16.7484 k = 0.1579 0.0912-0.0000 ( 1721 PWs) bands (ev): -47.1565 -47.1565 -47.0927 -47.0927 -21.4794 -21.4794 -21.2704 -21.2704 -14.0382 -14.0382 -13.5508 -13.5508 -13.4397 -13.4397 -13.3383 -13.3383 7.9759 7.9759 11.5918 11.5918 14.3188 14.3188 14.6493 14.6493 15.8440 15.8440 16.3324 16.3324 16.5428 16.5428 16.7029 16.7029 k = 0.1667 0.0962-0.0000 ( 1711 PWs) bands (ev): -47.1552 -47.1552 -47.0923 -47.0923 -21.4806 -21.4806 -21.2745 -21.2745 -14.0365 -14.0365 -13.5598 -13.5598 -13.4532 -13.4532 -13.3418 -13.3418 8.0545 8.0545 11.6589 11.6589 14.2425 14.2425 14.5798 14.5798 15.7882 15.7882 16.3183 16.3183 16.5960 16.5960 16.6571 16.6571 k = 0.1754 0.1013-0.0000 ( 1707 PWs) bands (ev): -47.1539 -47.1539 -47.0919 -47.0919 -21.4819 -21.4819 -21.2789 -21.2789 -14.0347 -14.0347 -13.5691 -13.5691 -13.4672 -13.4672 -13.3455 -13.3455 8.1365 8.1365 11.7268 11.7268 14.1654 14.1654 14.5119 14.5119 15.7327 15.7327 16.2914 16.2914 16.6033 16.6033 16.6700 16.6700 k = 0.1842 0.1064-0.0000 ( 1703 PWs) bands (ev): -47.1525 -47.1525 -47.0914 -47.0914 -21.4831 -21.4831 -21.2835 -21.2835 -14.0329 -14.0329 -13.5785 -13.5785 -13.4816 -13.4816 -13.3495 -13.3495 8.2216 8.2216 11.7952 11.7952 14.0877 14.0877 14.4461 14.4461 15.6781 15.6781 16.2580 16.2580 16.5562 16.5562 16.7454 16.7454 k = 0.1930 0.1114-0.0000 ( 1703 PWs) bands (ev): -47.1511 -47.1511 -47.0910 -47.0910 -21.4844 -21.4844 -21.2883 -21.2883 -14.0310 -14.0310 -13.5880 -13.5880 -13.4964 -13.4964 -13.3536 -13.3536 8.3097 8.3097 11.8632 11.8632 14.0097 14.0097 14.3827 14.3827 15.6249 15.6249 16.2210 16.2210 16.5078 16.5078 16.8281 16.8281 k = 0.2018 0.1165-0.0000 ( 1703 PWs) bands (ev): -47.1497 -47.1497 -47.0906 -47.0906 -21.4857 -21.4857 -21.2933 -21.2933 -14.0291 -14.0291 -13.5977 -13.5977 -13.5116 -13.5116 -13.3578 -13.3578 8.4007 8.4007 11.9302 11.9302 13.9317 13.9317 14.3221 14.3221 15.5737 15.5737 16.1821 16.1821 16.4593 16.4593 16.9158 16.9158 k = 0.2105 0.1215-0.0000 ( 1701 PWs) bands (ev): -47.1482 -47.1482 -47.0901 -47.0901 -21.4870 -21.4870 -21.2983 -21.2983 -14.0271 -14.0271 -13.6074 -13.6074 -13.5269 -13.5269 -13.3622 -13.3622 8.4943 8.4943 11.9954 11.9954 13.8539 13.8539 14.2649 14.2649 15.5251 15.5251 16.1421 16.1421 16.4113 16.4113 17.0079 17.0079 k = 0.2193 0.1266-0.0000 ( 1701 PWs) bands (ev): -47.1467 -47.1467 -47.0897 -47.0897 -21.4883 -21.4883 -21.3035 -21.3035 -14.0251 -14.0251 -13.6171 -13.6171 -13.5424 -13.5424 -13.3667 -13.3667 8.5903 8.5903 12.0579 12.0579 13.7767 13.7767 14.2115 14.2115 15.4797 15.4797 16.1017 16.1017 16.3639 16.3639 17.1039 17.1039 k = 0.2281 0.1317-0.0000 ( 1701 PWs) bands (ev): -47.1452 -47.1452 -47.0892 -47.0892 -21.4895 -21.4895 -21.3088 -21.3088 -14.0231 -14.0231 -13.6268 -13.6268 -13.5581 -13.5581 -13.3713 -13.3713 8.6886 8.6886 12.1167 12.1167 13.7002 13.7002 14.1622 14.1622 15.4381 15.4381 16.0612 16.0612 16.3174 16.3174 17.2034 17.2034 k = 0.2368 0.1367-0.0000 ( 1702 PWs) bands (ev): -47.1437 -47.1437 -47.0888 -47.0888 -21.4908 -21.4908 -21.3141 -21.3141 -14.0211 -14.0211 -13.6365 -13.6365 -13.5738 -13.5738 -13.3760 -13.3760 8.7889 8.7889 12.1711 12.1711 13.6246 13.6246 14.1174 14.1174 15.4009 15.4009 16.0208 16.0208 16.2719 16.2719 17.3062 17.3062 k = 0.2456 0.1418-0.0000 ( 1700 PWs) bands (ev): -47.1421 -47.1421 -47.0884 -47.0884 -21.4921 -21.4921 -21.3194 -21.3194 -14.0191 -14.0191 -13.6461 -13.6461 -13.5895 -13.5895 -13.3807 -13.3807 8.8911 8.8911 12.2199 12.2199 13.5502 13.5502 14.0774 14.0774 15.3688 15.3688 15.9809 15.9809 16.2275 16.2275 17.4121 17.4121 k = 0.2544 0.1469-0.0000 ( 1704 PWs) bands (ev): -47.1405 -47.1405 -47.0880 -47.0880 -21.4934 -21.4934 -21.3249 -21.3249 -14.0171 -14.0171 -13.6556 -13.6556 -13.6052 -13.6052 -13.3856 -13.3856 8.9949 8.9949 12.2624 12.2624 13.4770 13.4770 14.0423 14.0423 15.3425 15.3425 15.9415 15.9415 16.1845 16.1845 17.5208 17.5208 k = 0.2632 0.1519-0.0000 ( 1696 PWs) bands (ev): -47.1389 -47.1389 -47.0876 -47.0876 -21.4945 -21.4945 -21.3302 -21.3302 -14.0150 -14.0150 -13.6650 -13.6650 -13.6206 -13.6206 -13.3904 -13.3904 9.1001 9.1001 12.2979 12.2979 13.4053 13.4053 14.0121 14.0121 15.3225 15.3225 15.9028 15.9028 16.1430 16.1430 17.6320 17.6320 k = 0.2719 0.1570-0.0000 ( 1700 PWs) bands (ev): -47.1373 -47.1373 -47.0873 -47.0873 -21.4958 -21.4958 -21.3357 -21.3357 -14.0131 -14.0131 -13.6744 -13.6744 -13.6358 -13.6358 -13.3954 -13.3954 9.2063 9.2063 12.3258 12.3258 13.3353 13.3353 13.9864 13.9864 15.3095 15.3095 15.8649 15.8649 16.1032 16.1032 17.7455 17.7455 k = 0.2807 0.1621-0.0000 ( 1696 PWs) bands (ev): -47.1357 -47.1357 -47.0869 -47.0869 -21.4968 -21.4968 -21.3412 -21.3412 -14.0111 -14.0111 -13.6839 -13.6839 -13.6506 -13.6506 -13.4004 -13.4004 9.3134 9.3134 12.3461 12.3461 13.2670 13.2670 13.9648 13.9648 15.3037 15.3037 15.8279 15.8279 16.0653 16.0653 17.8610 17.8610 k = 0.2895 0.1671-0.0000 ( 1700 PWs) bands (ev): -47.1341 -47.1341 -47.0866 -47.0866 -21.4979 -21.4979 -21.3468 -21.3468 -14.0091 -14.0091 -13.6936 -13.6936 -13.6648 -13.6648 -13.4055 -13.4055 9.4211 9.4211 12.3586 12.3586 13.2006 13.2006 13.9467 13.9467 15.3055 15.3055 15.7919 15.7919 16.0297 16.0297 17.9782 17.9782 k = 0.2982 0.1722-0.0000 ( 1700 PWs) bands (ev): -47.1325 -47.1325 -47.0863 -47.0863 -21.4989 -21.4989 -21.3523 -21.3523 -14.0072 -14.0072 -13.7038 -13.7038 -13.6779 -13.6779 -13.4106 -13.4106 9.5290 9.5290 12.3637 12.3637 13.1362 13.1362 13.9313 13.9313 15.3146 15.3146 15.7569 15.7569 15.9965 15.9965 18.0968 18.0968 k = 0.3070 0.1773-0.0000 ( 1700 PWs) bands (ev): -47.1310 -47.1310 -47.0860 -47.0860 -21.4998 -21.4998 -21.3577 -21.3577 -14.0052 -14.0052 -13.7149 -13.7149 -13.6896 -13.6896 -13.4157 -13.4157 9.6369 9.6369 12.3621 12.3621 13.0739 13.0739 13.9178 13.9178 15.3307 15.3307 15.7229 15.7229 15.9663 15.9663 18.2166 18.2166 k = 0.3158 0.1823-0.0000 ( 1696 PWs) bands (ev): -47.1294 -47.1294 -47.0857 -47.0857 -21.5006 -21.5006 -21.3630 -21.3630 -14.0034 -14.0034 -13.7269 -13.7269 -13.6996 -13.6996 -13.4207 -13.4207 9.7445 9.7445 12.3543 12.3543 13.0139 13.0139 13.9055 13.9055 15.3526 15.3526 15.6902 15.6902 15.9398 15.9398 18.3375 18.3375 k = 0.3246 0.1874-0.0000 ( 1692 PWs) bands (ev): -47.1278 -47.1278 -47.0854 -47.0854 -21.5013 -21.5013 -21.3683 -21.3683 -14.0015 -14.0015 -13.7397 -13.7397 -13.7081 -13.7081 -13.4256 -13.4256 9.8514 9.8514 12.3413 12.3413 12.9561 12.9561 13.8940 13.8940 15.3791 15.3791 15.6586 15.6586 15.9176 15.9176 18.4595 18.4595 k = 0.3333 0.1925-0.0000 ( 1694 PWs) bands (ev): -47.1263 -47.1263 -47.0852 -47.0852 -21.5020 -21.5020 -21.3736 -21.3736 -13.9997 -13.9997 -13.7531 -13.7531 -13.7155 -13.7155 -13.4306 -13.4306 9.9573 9.9573 12.3238 12.3238 12.9007 12.9007 13.8828 13.8828 15.4081 15.4081 15.6282 15.6282 15.9009 15.9009 18.5827 18.5827 k = 0.3421 0.1975-0.0000 ( 1688 PWs) bands (ev): -47.1248 -47.1248 -47.0850 -47.0850 -21.5025 -21.5025 -21.3786 -21.3786 -13.9978 -13.9978 -13.7664 -13.7664 -13.7220 -13.7220 -13.4354 -13.4354 10.0619 10.0619 12.3026 12.3026 12.8478 12.8478 13.8717 13.8717 15.4370 15.4370 15.5992 15.5992 15.8912 15.8912 18.7073 18.7073 k = 0.3509 0.2026-0.0000 ( 1690 PWs) bands (ev): -47.1233 -47.1233 -47.0849 -47.0849 -21.5030 -21.5030 -21.3837 -21.3837 -13.9961 -13.9961 -13.7798 -13.7798 -13.7278 -13.7278 -13.4402 -13.4402 10.1647 10.1647 12.2785 12.2785 12.7974 12.7974 13.8606 13.8606 15.4631 15.4631 15.5716 15.5716 15.8901 15.8901 18.8337 18.8337 k = 0.3596 0.2076-0.0000 ( 1690 PWs) bands (ev): -47.1219 -47.1219 -47.0848 -47.0848 -21.5034 -21.5034 -21.3886 -21.3886 -13.9944 -13.9944 -13.7929 -13.7929 -13.7329 -13.7329 -13.4449 -13.4449 10.2655 10.2655 12.2522 12.2522 12.7495 12.7495 13.8497 13.8497 15.4836 15.4836 15.5454 15.5454 15.8990 15.8990 18.9621 18.9621 k = 0.3684 0.2127-0.0000 ( 1690 PWs) bands (ev): -47.1205 -47.1205 -47.0847 -47.0847 -21.5038 -21.5038 -21.3934 -21.3934 -13.9926 -13.9926 -13.8058 -13.8058 -13.7375 -13.7375 -13.4494 -13.4494 10.3638 10.3638 12.2242 12.2242 12.7044 12.7044 13.8391 13.8391 15.4964 15.4964 15.5214 15.5214 15.9181 15.9181 19.0927 19.0927 k = 0.3772 0.2178-0.0000 ( 1698 PWs) bands (ev): -47.1191 -47.1191 -47.0846 -47.0846 -21.5041 -21.5041 -21.3981 -21.3981 -13.9908 -13.9908 -13.8184 -13.8184 -13.7417 -13.7417 -13.4539 -13.4539 10.4593 10.4593 12.1950 12.1950 12.6619 12.6619 13.8289 13.8289 15.4932 15.4932 15.5077 15.5077 15.9463 15.9463 19.2257 19.2257 k = 0.3860 0.2228-0.0000 ( 1692 PWs) bands (ev): -47.1178 -47.1178 -47.0845 -47.0845 -21.5042 -21.5042 -21.4025 -21.4025 -13.9889 -13.9889 -13.8305 -13.8305 -13.7452 -13.7452 -13.4580 -13.4580 10.5516 10.5516 12.1651 12.1651 12.6222 12.6222 13.8193 13.8193 15.4731 15.4731 15.5063 15.5063 15.9814 15.9814 19.3613 19.3613 k = 0.3947 0.2279-0.0000 ( 1696 PWs) bands (ev): -47.1166 -47.1166 -47.0845 -47.0845 -21.5043 -21.5043 -21.4068 -21.4068 -13.9870 -13.9870 -13.8423 -13.8423 -13.7483 -13.7483 -13.4621 -13.4621 10.6404 10.6404 12.1347 12.1347 12.5852 12.5852 13.8105 13.8105 15.4528 15.4528 15.5023 15.5023 16.0208 16.0208 19.4992 19.4992 k = 0.4035 0.2330-0.0000 ( 1692 PWs) bands (ev): -47.1154 -47.1154 -47.0845 -47.0845 -21.5042 -21.5042 -21.4107 -21.4107 -13.9848 -13.9848 -13.8535 -13.8535 -13.7510 -13.7510 -13.4659 -13.4659 10.7253 10.7253 12.1044 12.1044 12.5511 12.5511 13.8025 13.8025 15.4339 15.4339 15.4958 15.4958 16.0619 16.0619 19.6390 19.6390 k = 0.4123 0.2380-0.0000 ( 1692 PWs) bands (ev): -47.1143 -47.1143 -47.0845 -47.0845 -21.5041 -21.5041 -21.4145 -21.4145 -13.9826 -13.9826 -13.8643 -13.8643 -13.7532 -13.7532 -13.4695 -13.4695 10.8058 10.8058 12.0742 12.0742 12.5198 12.5198 13.7955 13.7955 15.4164 15.4164 15.4878 15.4878 16.1029 16.1029 19.7800 19.7800 k = 0.4211 0.2431-0.0000 ( 1692 PWs) bands (ev): -47.1133 -47.1133 -47.0846 -47.0846 -21.5039 -21.5039 -21.4182 -21.4182 -13.9802 -13.9802 -13.8747 -13.8747 -13.7551 -13.7551 -13.4729 -13.4729 10.8816 10.8816 12.0445 12.0445 12.4914 12.4914 13.7894 13.7894 15.4005 15.4005 15.4791 15.4791 16.1422 16.1422 19.9200 19.9200 k = 0.4298 0.2482-0.0000 ( 1696 PWs) bands (ev): -47.1123 -47.1123 -47.0846 -47.0846 -21.5038 -21.5038 -21.4215 -21.4215 -13.9777 -13.9777 -13.8845 -13.8845 -13.7568 -13.7568 -13.4759 -13.4759 10.9523 10.9523 12.0156 12.0156 12.4659 12.4659 13.7843 13.7843 15.3862 15.3862 15.4704 15.4704 16.1788 16.1788 20.0543 20.0543 k = 0.4386 0.2532-0.0000 ( 1696 PWs) bands (ev): -47.1115 -47.1115 -47.0847 -47.0847 -21.5036 -21.5036 -21.4244 -21.4244 -13.9749 -13.9749 -13.8938 -13.8938 -13.7582 -13.7582 -13.4786 -13.4786 11.0174 11.0174 11.9877 11.9877 12.4434 12.4434 13.7802 13.7802 15.3735 15.3735 15.4620 15.4620 16.2119 16.2119 20.1737 20.1737 k = 0.4474 0.2583-0.0000 ( 1692 PWs) bands (ev): -47.1107 -47.1107 -47.0848 -47.0848 -21.5033 -21.5033 -21.4270 -21.4270 -13.9718 -13.9718 -13.9026 -13.9026 -13.7593 -13.7593 -13.4810 -13.4810 11.0764 11.0764 11.9613 11.9613 12.4238 12.4238 13.7769 13.7769 15.3625 15.3625 15.4544 15.4544 16.2410 16.2410 20.2708 20.2708 k = 0.4561 0.2634-0.0000 ( 1688 PWs) bands (ev): -47.1100 -47.1100 -47.0848 -47.0848 -21.5030 -21.5030 -21.4292 -21.4292 -13.9684 -13.9684 -13.9108 -13.9108 -13.7600 -13.7600 -13.4830 -13.4830 11.1286 11.1286 11.9369 11.9369 12.4072 12.4072 13.7744 13.7744 15.3531 15.3531 15.4476 15.4476 16.2659 16.2659 20.3478 20.3478 k = 0.4649 0.2684-0.0000 ( 1688 PWs) bands (ev): -47.1095 -47.1095 -47.0849 -47.0849 -21.5027 -21.5027 -21.4311 -21.4311 -13.9648 -13.9648 -13.9185 -13.9185 -13.7607 -13.7607 -13.4847 -13.4847 11.1734 11.1734 11.9150 11.9150 12.3936 12.3936 13.7726 13.7726 15.3454 15.3454 15.4420 15.4420 16.2863 16.2863 20.4085 20.4085 k = 0.4737 0.2735-0.0000 ( 1682 PWs) bands (ev): -47.1090 -47.1090 -47.0849 -47.0849 -21.5023 -21.5023 -21.4326 -21.4326 -13.9607 -13.9607 -13.9257 -13.9257 -13.7610 -13.7610 -13.4860 -13.4860 11.2098 11.2098 11.8965 11.8965 12.3831 12.3831 13.7713 13.7713 15.3394 15.3394 15.4375 15.4375 16.3022 16.3022 20.4551 20.4551 k = 0.4825 0.2785-0.0000 ( 1678 PWs) bands (ev): -47.1087 -47.1087 -47.0849 -47.0849 -21.5021 -21.5021 -21.4337 -21.4337 -13.9563 -13.9563 -13.9322 -13.9322 -13.7614 -13.7614 -13.4870 -13.4870 11.2368 11.2368 11.8823 11.8823 12.3755 12.3755 13.7705 13.7705 15.3351 15.3351 15.4342 15.4342 16.3135 16.3135 20.4881 20.4881 k = 0.4912 0.2836-0.0000 ( 1676 PWs) bands (ev): -47.1085 -47.1085 -47.0850 -47.0850 -21.5019 -21.5019 -21.4344 -21.4344 -13.9519 -13.9519 -13.9380 -13.9380 -13.7615 -13.7615 -13.4876 -13.4876 11.2536 11.2536 11.8734 11.8734 12.3709 12.3709 13.7700 13.7700 15.3325 15.3325 15.4322 15.4322 16.3203 16.3203 20.5079 20.5079 k = 0.5000 0.2887-0.0000 ( 1682 PWs) bands (ev): -47.1085 -47.1085 -47.0850 -47.0850 -21.5019 -21.5019 -21.4347 -21.4347 -13.9492 -13.9492 -13.9413 -13.9413 -13.7616 -13.7616 -13.4879 -13.4879 11.2592 11.2592 11.8703 11.8703 12.3694 12.3694 13.7698 13.7698 15.3317 15.3317 15.4316 15.4316 16.3226 16.3226 20.5145 20.5145 k = 0.5000 0.2887-0.0000 ( 1682 PWs) bands (ev): -47.1085 -47.1085 -47.0850 -47.0850 -21.5019 -21.5019 -21.4347 -21.4347 -13.9492 -13.9492 -13.9413 -13.9413 -13.7616 -13.7616 -13.4879 -13.4879 11.2592 11.2592 11.8703 11.8703 12.3694 12.3694 13.7698 13.7698 15.3317 15.3317 15.4316 15.4316 16.3226 16.3226 20.5145 20.5145 k = 0.4949 0.2974-0.0000 ( 1680 PWs) bands (ev): -47.1085 -47.1085 -47.0850 -47.0850 -21.5019 -21.5019 -21.4347 -21.4347 -13.9491 -13.9491 -13.9412 -13.9412 -13.7618 -13.7618 -13.4881 -13.4881 11.2615 11.2615 11.8726 11.8726 12.3698 12.3698 13.7686 13.7686 15.3305 15.3305 15.4306 15.4306 16.3229 16.3229 20.5136 20.5136 k = 0.4899 0.3062-0.0000 ( 1686 PWs) bands (ev): -47.1084 -47.1084 -47.0850 -47.0850 -21.5020 -21.5020 -21.4349 -21.4349 -13.9488 -13.9488 -13.9409 -13.9409 -13.7624 -13.7624 -13.4892 -13.4892 11.2681 11.2681 11.8797 11.8797 12.3708 12.3708 13.7648 13.7648 15.3271 15.3271 15.4276 15.4276 16.3240 16.3240 20.5108 20.5108 k = 0.4848 0.3149-0.0000 ( 1696 PWs) bands (ev): -47.1083 -47.1083 -47.0850 -47.0850 -21.5022 -21.5022 -21.4353 -21.4353 -13.9482 -13.9482 -13.9404 -13.9404 -13.7636 -13.7636 -13.4910 -13.4910 11.2791 11.2791 11.8915 11.8915 12.3725 12.3725 13.7585 13.7585 15.3213 15.3213 15.4227 15.4227 16.3257 16.3257 20.5061 20.5061 k = 0.4798 0.3237-0.0000 ( 1692 PWs) bands (ev): -47.1081 -47.1081 -47.0851 -47.0851 -21.5021 -21.5021 -21.4356 -21.4356 -13.9474 -13.9474 -13.9396 -13.9396 -13.7649 -13.7649 -13.4932 -13.4932 11.2946 11.2946 11.9080 11.9080 12.3748 12.3748 13.7498 13.7498 15.3131 15.3131 15.4162 15.4162 16.3282 16.3282 20.4990 20.4990 k = 0.4747 0.3324-0.0000 ( 1692 PWs) bands (ev): -47.1080 -47.1080 -47.0851 -47.0851 -21.5020 -21.5020 -21.4362 -21.4362 -13.9464 -13.9464 -13.9385 -13.9385 -13.7666 -13.7666 -13.4962 -13.4962 11.3143 11.3143 11.9289 11.9289 12.3778 12.3778 13.7387 13.7387 15.3024 15.3024 15.4083 15.4083 16.3314 16.3314 20.4882 20.4882 k = 0.4697 0.3412-0.0000 ( 1692 PWs) bands (ev): -47.1077 -47.1077 -47.0851 -47.0851 -21.5019 -21.5019 -21.4369 -21.4369 -13.9453 -13.9453 -13.9371 -13.9371 -13.7687 -13.7687 -13.4998 -13.4998 11.3382 11.3382 11.9543 11.9543 12.3813 12.3813 13.7252 13.7252 15.2893 15.2893 15.3990 15.3990 16.3354 16.3354 20.4675 20.4675 k = 0.4646 0.3499-0.0000 ( 1692 PWs) bands (ev): -47.1075 -47.1075 -47.0852 -47.0852 -21.5018 -21.5018 -21.4376 -21.4376 -13.9443 -13.9443 -13.9352 -13.9352 -13.7710 -13.7710 -13.5040 -13.5040 11.3661 11.3661 11.9840 11.9840 12.3855 12.3855 13.7095 13.7095 15.2736 15.2736 15.3887 15.3887 16.3402 16.3402 20.4142 20.4142 k = 0.4596 0.3587-0.0000 ( 1692 PWs) bands (ev): -47.1072 -47.1072 -47.0852 -47.0852 -21.5018 -21.5018 -21.4385 -21.4385 -13.9433 -13.9433 -13.9329 -13.9329 -13.7737 -13.7737 -13.5088 -13.5088 11.3981 11.3981 12.0178 12.0178 12.3902 12.3902 13.6916 13.6916 15.2556 15.2556 15.3776 15.3776 16.3457 16.3457 20.3367 20.3367 k = 0.4545 0.3674-0.0000 ( 1696 PWs) bands (ev): -47.1068 -47.1068 -47.0853 -47.0853 -21.5018 -21.5018 -21.4394 -21.4394 -13.9423 -13.9423 -13.9302 -13.9302 -13.7768 -13.7768 -13.5142 -13.5142 11.4338 11.4338 12.0556 12.0556 12.3953 12.3953 13.6716 13.6716 15.2354 15.2354 15.3656 15.3656 16.3521 16.3521 20.2561 20.2561 k = 0.4495 0.3762-0.0000 ( 1696 PWs) bands (ev): -47.1065 -47.1065 -47.0853 -47.0853 -21.5016 -21.5016 -21.4405 -21.4405 -13.9413 -13.9413 -13.9270 -13.9270 -13.7800 -13.7800 -13.5202 -13.5202 11.4731 11.4731 12.0970 12.0970 12.4010 12.4010 13.6496 13.6496 15.2133 15.2133 15.3529 15.3529 16.3593 16.3593 20.1772 20.1772 k = 0.4444 0.3849-0.0000 ( 1692 PWs) bands (ev): -47.1061 -47.1061 -47.0854 -47.0854 -21.5013 -21.5013 -21.4417 -21.4417 -13.9403 -13.9403 -13.9235 -13.9235 -13.7833 -13.7833 -13.5267 -13.5267 11.5159 11.5159 12.1418 12.1418 12.4070 12.4070 13.6258 13.6258 15.1896 15.1896 15.3396 15.3396 16.3673 16.3673 20.1014 20.1014 k = 0.4394 0.3936-0.0000 ( 1692 PWs) bands (ev): -47.1056 -47.1056 -47.0855 -47.0855 -21.5011 -21.5011 -21.4430 -21.4430 -13.9394 -13.9394 -13.9196 -13.9196 -13.7870 -13.7870 -13.5336 -13.5336 11.5619 11.5619 12.1896 12.1896 12.4136 12.4136 13.6003 13.6003 15.1646 15.1646 15.3256 15.3256 16.3762 16.3762 20.0293 20.0293 k = 0.4343 0.4024-0.0000 ( 1692 PWs) bands (ev): -47.1051 -47.1051 -47.0856 -47.0856 -21.5008 -21.5008 -21.4443 -21.4443 -13.9383 -13.9383 -13.9154 -13.9154 -13.7907 -13.7907 -13.5411 -13.5411 11.6109 11.6109 12.2400 12.2400 12.4206 12.4206 13.5733 13.5733 15.1388 15.1388 15.3109 15.3109 16.3859 16.3859 19.9615 19.9615 k = 0.4293 0.4111-0.0000 ( 1688 PWs) bands (ev): -47.1046 -47.1046 -47.0857 -47.0857 -21.5005 -21.5005 -21.4457 -21.4457 -13.9373 -13.9373 -13.9109 -13.9109 -13.7946 -13.7946 -13.5489 -13.5489 11.6626 11.6626 12.2922 12.2922 12.4284 12.4284 13.5447 13.5447 15.1125 15.1125 15.2956 15.2956 16.3965 16.3965 19.8982 19.8982 k = 0.4242 0.4199-0.0000 ( 1688 PWs) bands (ev): -47.1041 -47.1041 -47.0858 -47.0858 -21.5003 -21.5003 -21.4471 -21.4471 -13.9362 -13.9362 -13.9063 -13.9063 -13.7985 -13.7985 -13.5571 -13.5571 11.7167 11.7167 12.3449 12.3449 12.4379 12.4379 13.5149 13.5149 15.0860 15.0860 15.2797 15.2797 16.4079 16.4079 19.8399 19.8399 k = 0.4192 0.4286-0.0000 ( 1692 PWs) bands (ev): -47.1035 -47.1035 -47.0860 -47.0860 -21.5000 -21.5000 -21.4488 -21.4488 -13.9351 -13.9351 -13.9014 -13.9014 -13.8025 -13.8025 -13.5659 -13.5659 11.7730 11.7730 12.3933 12.3933 12.4534 12.4534 13.4840 13.4840 15.0599 15.0599 15.2631 15.2631 16.4202 16.4202 19.7867 19.7867 k = 0.4141 0.4374-0.0000 ( 1692 PWs) bands (ev): -47.1030 -47.1030 -47.0862 -47.0862 -21.4996 -21.4996 -21.4504 -21.4504 -13.9341 -13.9341 -13.8964 -13.8964 -13.8062 -13.8062 -13.5749 -13.5749 11.8310 11.8310 12.4246 12.4246 12.4871 12.4871 13.4521 13.4521 15.0343 15.0343 15.2461 15.2461 16.4334 16.4334 19.7388 19.7388 k = 0.4091 0.4461-0.0000 ( 1690 PWs) bands (ev): -47.1024 -47.1024 -47.0863 -47.0863 -21.4990 -21.4990 -21.4522 -21.4522 -13.9330 -13.9330 -13.8912 -13.8912 -13.8097 -13.8097 -13.5842 -13.5842 11.8905 11.8905 12.4388 12.4388 12.5383 12.5383 13.4193 13.4193 15.0098 15.0098 15.2285 15.2285 16.4473 16.4473 19.6964 19.6964 k = 0.4040 0.4549-0.0000 ( 1690 PWs) bands (ev): -47.1017 -47.1017 -47.0865 -47.0865 -21.4985 -21.4985 -21.4540 -21.4540 -13.9319 -13.9319 -13.8862 -13.8862 -13.8128 -13.8128 -13.5938 -13.5938 11.9510 11.9510 12.4474 12.4474 12.5950 12.5950 13.3860 13.3860 14.9865 14.9865 15.2105 15.2105 16.4621 16.4621 19.6596 19.6596 k = 0.3990 0.4636-0.0000 ( 1692 PWs) bands (ev): -47.1011 -47.1011 -47.0868 -47.0868 -21.4979 -21.4979 -21.4559 -21.4559 -13.9310 -13.9310 -13.8814 -13.8814 -13.8154 -13.8154 -13.6036 -13.6036 12.0122 12.0122 12.4542 12.4542 12.6527 12.6527 13.3522 13.3522 14.9648 14.9648 15.1922 15.1922 16.4776 16.4776 19.6285 19.6285 k = 0.3939 0.4724-0.0000 ( 1692 PWs) bands (ev): -47.1004 -47.1004 -47.0870 -47.0870 -21.4972 -21.4972 -21.4578 -21.4578 -13.9300 -13.9300 -13.8770 -13.8770 -13.8173 -13.8173 -13.6136 -13.6136 12.0736 12.0736 12.4600 12.4600 12.7098 12.7098 13.3182 13.3182 14.9450 14.9450 15.1735 15.1735 16.4939 16.4939 19.6032 19.6032 k = 0.3889 0.4811-0.0000 ( 1692 PWs) bands (ev): -47.0998 -47.0998 -47.0873 -47.0873 -21.4965 -21.4965 -21.4598 -21.4598 -13.9290 -13.9290 -13.8732 -13.8732 -13.8181 -13.8181 -13.6237 -13.6237 12.1349 12.1349 12.4650 12.4650 12.7654 12.7654 13.2841 13.2841 14.9273 14.9273 15.1547 15.1547 16.5107 16.5107 19.5837 19.5837 k = 0.3838 0.4899-0.0000 ( 1692 PWs) bands (ev): -47.0991 -47.0991 -47.0876 -47.0876 -21.4957 -21.4957 -21.4618 -21.4618 -13.9281 -13.9281 -13.8703 -13.8703 -13.8177 -13.8177 -13.6338 -13.6338 12.1954 12.1954 12.4695 12.4695 12.8186 12.8186 13.2503 13.2503 14.9120 14.9120 15.1357 15.1357 16.5281 16.5281 19.5699 19.5699 k = 0.3788 0.4986-0.0000 ( 1696 PWs) bands (ev): -47.0984 -47.0984 -47.0879 -47.0879 -21.4949 -21.4949 -21.4638 -21.4638 -13.9274 -13.9274 -13.8684 -13.8684 -13.8160 -13.8160 -13.6440 -13.6440 12.2547 12.2547 12.4735 12.4735 12.8684 12.8684 13.2171 13.2171 14.8991 14.8991 15.1168 15.1168 16.5457 16.5457 19.5617 19.5617 k = 0.3737 0.5074-0.0000 ( 1696 PWs) bands (ev): -47.0977 -47.0977 -47.0883 -47.0883 -21.4939 -21.4939 -21.4659 -21.4659 -13.9267 -13.9267 -13.8675 -13.8675 -13.8128 -13.8128 -13.6541 -13.6541 12.3120 12.3120 12.4771 12.4771 12.9137 12.9137 13.1851 13.1851 14.8888 14.8888 15.0980 15.0980 16.5634 16.5634 19.5589 19.5589 k = 0.3687 0.5161-0.0000 ( 1696 PWs) bands (ev): -47.0970 -47.0970 -47.0886 -47.0886 -21.4928 -21.4928 -21.4679 -21.4679 -13.9261 -13.9261 -13.8672 -13.8672 -13.8085 -13.8085 -13.6639 -13.6639 12.3664 12.3664 12.4809 12.4809 12.9534 12.9534 13.1553 13.1553 14.8812 14.8812 15.0795 15.0795 16.5809 16.5809 19.5612 19.5612 k = 0.3636 0.5249-0.0000 ( 1700 PWs) bands (ev): -47.0963 -47.0963 -47.0891 -47.0891 -21.4917 -21.4917 -21.4701 -21.4701 -13.9258 -13.9258 -13.8675 -13.8675 -13.8034 -13.8034 -13.6736 -13.6736 12.4158 12.4158 12.4862 12.4862 12.9850 12.9850 13.1296 13.1296 14.8762 14.8762 15.0615 15.0615 16.5979 16.5979 19.5681 19.5681 k = 0.3586 0.5336-0.0000 ( 1700 PWs) bands (ev): -47.0956 -47.0956 -47.0895 -47.0895 -21.4903 -21.4903 -21.4722 -21.4722 -13.9256 -13.9256 -13.8680 -13.8680 -13.7977 -13.7977 -13.6828 -13.6828 12.4533 12.4533 12.4992 12.4992 13.0044 13.0044 13.1122 13.1122 14.8739 14.8739 15.0442 15.0442 16.6139 16.6139 19.5787 19.5787 k = 0.3535 0.5424-0.0000 ( 1700 PWs) bands (ev): -47.0950 -47.0950 -47.0900 -47.0900 -21.4889 -21.4889 -21.4742 -21.4742 -13.9254 -13.9254 -13.8685 -13.8685 -13.7920 -13.7920 -13.6914 -13.6914 12.4691 12.4691 12.5287 12.5287 13.0070 13.0070 13.1083 13.1083 14.8739 14.8739 15.0279 15.0279 16.6283 16.6283 19.5921 19.5921 k = 0.3485 0.5511-0.0000 ( 1708 PWs) bands (ev): -47.0943 -47.0943 -47.0905 -47.0905 -21.4876 -21.4876 -21.4764 -21.4764 -13.9254 -13.9254 -13.8691 -13.8691 -13.7867 -13.7867 -13.6990 -13.6990 12.4737 12.4737 12.5627 12.5627 12.9965 12.9965 13.1146 13.1146 14.8758 14.8758 15.0132 15.0132 16.6407 16.6407 19.6068 19.6068 k = 0.3434 0.5599-0.0000 ( 1700 PWs) bands (ev): -47.0936 -47.0936 -47.0910 -47.0910 -21.4858 -21.4858 -21.4783 -21.4783 -13.9253 -13.9253 -13.8693 -13.8693 -13.7820 -13.7820 -13.7051 -13.7051 12.4754 12.4754 12.5913 12.5913 12.9827 12.9827 13.1230 13.1230 14.8790 14.8790 15.0009 15.0009 16.6504 16.6504 19.6209 19.6209 k = 0.3384 0.5686-0.0000 ( 1700 PWs) bands (ev): -47.0929 -47.0929 -47.0916 -47.0916 -21.4841 -21.4841 -21.4803 -21.4803 -13.9253 -13.9253 -13.8695 -13.8695 -13.7789 -13.7789 -13.7092 -13.7092 12.4760 12.4760 12.6102 12.6102 12.9720 12.9720 13.1290 13.1290 14.8821 14.8821 14.9923 14.9923 16.6567 16.6567 19.6317 19.6317 k = 0.3333 0.5774-0.0000 ( 1698 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4824 -21.4824 -21.4820 -21.4820 -13.9253 -13.9253 -13.8695 -13.8695 -13.7777 -13.7777 -13.7106 -13.7106 12.4761 12.4761 12.6169 12.6169 12.9681 12.9681 13.1311 13.1311 14.8835 14.8835 14.9890 14.9890 16.6589 16.6589 19.6360 19.6360 k = 0.3333 0.5774-0.0000 ( 1698 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4824 -21.4824 -21.4820 -21.4820 -13.9253 -13.9253 -13.8695 -13.8695 -13.7777 -13.7777 -13.7106 -13.7106 12.4761 12.4761 12.6169 12.6169 12.9681 12.9681 13.1311 13.1311 14.8835 14.8835 14.9890 14.9890 16.6589 16.6589 19.6360 19.6360 k = 0.3283 0.5686-0.0000 ( 1699 PWs) bands (ev): -47.0929 -47.0929 -47.0916 -47.0916 -21.4841 -21.4841 -21.4802 -21.4802 -13.9253 -13.9253 -13.8695 -13.8695 -13.7788 -13.7788 -13.7092 -13.7092 12.4761 12.4761 12.6101 12.6101 12.9720 12.9721 13.1291 13.1291 14.8818 14.8818 14.9926 14.9926 16.6565 16.6565 19.6309 19.6309 k = 0.3232 0.5599-0.0000 ( 1699 PWs) bands (ev): -47.0936 -47.0936 -47.0910 -47.0910 -21.4859 -21.4859 -21.4781 -21.4781 -13.9252 -13.9252 -13.8695 -13.8695 -13.7817 -13.7817 -13.7052 -13.7052 12.4758 12.4758 12.5906 12.5906 12.9831 12.9831 13.1234 13.1234 14.8768 14.8768 15.0031 15.0031 16.6488 16.6488 19.6150 19.6150 k = 0.3182 0.5511-0.0000 ( 1691 PWs) bands (ev): -47.0944 -47.0944 -47.0904 -47.0904 -21.4876 -21.4876 -21.4757 -21.4757 -13.9247 -13.9247 -13.8694 -13.8694 -13.7857 -13.7857 -13.6993 -13.6993 12.4752 12.4752 12.5603 12.5603 12.9991 12.9991 13.1149 13.1149 14.8695 14.8695 15.0196 15.0196 16.6353 16.6353 19.5886 19.5886 k = 0.3131 0.5424-0.0000 ( 1693 PWs) bands (ev): -47.0952 -47.0952 -47.0898 -47.0898 -21.4893 -21.4893 -21.4734 -21.4734 -13.9243 -13.9243 -13.8698 -13.8698 -13.7901 -13.7901 -13.6921 -13.6921 12.4720 12.4720 12.5232 12.5232 13.0173 13.0173 13.1047 13.1047 14.8611 14.8611 15.0409 15.0409 16.6158 16.6158 19.5528 19.5528 k = 0.3081 0.5336-0.0000 ( 1697 PWs) bands (ev): -47.0960 -47.0960 -47.0892 -47.0892 -21.4910 -21.4910 -21.4710 -21.4710 -13.9236 -13.9236 -13.8704 -13.8704 -13.7943 -13.7943 -13.6841 -13.6841 12.4519 12.4519 12.4953 12.4953 13.0349 13.0349 13.0952 13.0952 14.8525 14.8525 15.0659 15.0659 16.5900 16.5900 19.5091 19.5091 k = 0.3030 0.5249-0.0000 ( 1701 PWs) bands (ev): -47.0969 -47.0969 -47.0887 -47.0887 -21.4927 -21.4927 -21.4683 -21.4683 -13.9226 -13.9226 -13.8716 -13.8716 -13.7981 -13.7981 -13.6755 -13.6755 12.4019 12.4019 12.4904 12.4904 13.0467 13.0467 13.0912 13.0912 14.8444 14.8444 15.0939 15.0939 16.5580 16.5580 19.4590 19.4590 k = 0.2980 0.5161-0.0000 ( 1701 PWs) bands (ev): -47.0978 -47.0978 -47.0882 -47.0882 -21.4942 -21.4942 -21.4655 -21.4655 -13.9214 -13.9214 -13.8732 -13.8732 -13.8009 -13.8009 -13.6664 -13.6664 12.3391 12.3391 12.4921 12.4921 13.0467 13.0467 13.0988 13.0988 14.8372 14.8372 15.1246 15.1246 16.5200 16.5200 19.4037 19.4037 k = 0.2929 0.5074-0.0000 ( 1701 PWs) bands (ev): -47.0988 -47.0988 -47.0877 -47.0877 -21.4956 -21.4956 -21.4625 -21.4625 -13.9201 -13.9201 -13.8751 -13.8751 -13.8028 -13.8028 -13.6570 -13.6570 12.2682 12.2682 12.4962 12.4962 13.0394 13.0394 13.1139 13.1139 14.8311 14.8311 15.1575 15.1575 16.4763 16.4763 19.3444 19.3444 k = 0.2879 0.4986-0.0000 ( 1705 PWs) bands (ev): -47.0998 -47.0998 -47.0873 -47.0873 -21.4970 -21.4970 -21.4594 -21.4594 -13.9188 -13.9188 -13.8776 -13.8776 -13.8035 -13.8035 -13.6474 -13.6474 12.1905 12.1905 12.5019 12.5019 13.0310 13.0310 13.1305 13.1305 14.8264 14.8264 15.1923 15.1923 16.4273 16.4273 19.2820 19.2820 k = 0.2828 0.4899-0.0000 ( 1705 PWs) bands (ev): -47.1008 -47.1008 -47.0869 -47.0869 -21.4983 -21.4983 -21.4562 -21.4562 -13.9176 -13.9176 -13.8800 -13.8800 -13.8032 -13.8032 -13.6376 -13.6376 12.1066 12.1066 12.5093 12.5093 13.0236 13.0236 13.1468 13.1468 14.8233 14.8233 15.2286 15.2286 16.3738 16.3738 19.2172 19.2172 k = 0.2778 0.4811-0.0000 ( 1705 PWs) bands (ev): -47.1019 -47.1019 -47.0865 -47.0865 -21.4995 -21.4995 -21.4527 -21.4527 -13.9169 -13.9169 -13.8820 -13.8820 -13.8020 -13.8020 -13.6277 -13.6277 12.0171 12.0171 12.5182 12.5182 13.0182 13.0182 13.1620 13.1620 14.8218 14.8218 15.2663 15.2663 16.3165 16.3165 19.1505 19.1505 k = 0.2727 0.4724-0.0000 ( 1705 PWs) bands (ev): -47.1030 -47.1030 -47.0861 -47.0861 -21.5005 -21.5005 -21.4491 -21.4491 -13.9171 -13.9171 -13.8828 -13.8828 -13.7999 -13.7999 -13.6178 -13.6178 11.9223 11.9223 12.5289 12.5289 13.0152 13.0152 13.1758 13.1758 14.8222 14.8222 15.3049 15.3049 16.2562 16.2562 19.0826 19.0826 k = 0.2677 0.4636-0.0000 ( 1707 PWs) bands (ev): -47.1042 -47.1042 -47.0858 -47.0858 -21.5015 -21.5015 -21.4455 -21.4455 -13.9187 -13.9187 -13.8821 -13.8821 -13.7971 -13.7971 -13.6078 -13.6078 11.8228 11.8228 12.5414 12.5414 13.0148 13.0148 13.1882 13.1882 14.8244 14.8244 15.3440 15.3440 16.1938 16.1938 19.0135 19.0135 k = 0.2626 0.4549-0.0000 ( 1711 PWs) bands (ev): -47.1054 -47.1054 -47.0855 -47.0855 -21.5023 -21.5023 -21.4417 -21.4417 -13.9216 -13.9216 -13.8799 -13.8799 -13.7937 -13.7937 -13.5978 -13.5978 11.7191 11.7191 12.5558 12.5558 13.0171 13.0171 13.1988 13.1988 14.8285 14.8285 15.3832 15.3832 16.1305 16.1305 18.9437 18.9437 k = 0.2576 0.4461-0.0000 ( 1707 PWs) bands (ev): -47.1067 -47.1067 -47.0853 -47.0853 -21.5030 -21.5030 -21.4377 -21.4377 -13.9252 -13.9252 -13.8761 -13.8761 -13.7897 -13.7897 -13.5878 -13.5878 11.6118 11.6118 12.5721 12.5721 13.0221 13.0221 13.2078 13.2078 14.8347 14.8347 15.4217 15.4217 16.0675 16.0675 18.8734 18.8734 k = 0.2525 0.4374-0.0000 ( 1707 PWs) bands (ev): -47.1080 -47.1080 -47.0850 -47.0850 -21.5036 -21.5036 -21.4335 -21.4335 -13.9296 -13.9296 -13.8712 -13.8712 -13.7852 -13.7852 -13.5779 -13.5779 11.5012 11.5012 12.5903 12.5903 13.0299 13.0299 13.2149 13.2149 14.8429 14.8429 15.4585 15.4585 16.0065 16.0065 18.8027 18.8027 k = 0.2475 0.4286-0.0000 ( 1707 PWs) bands (ev): -47.1093 -47.1093 -47.0849 -47.0849 -21.5041 -21.5041 -21.4292 -21.4292 -13.9343 -13.9343 -13.8654 -13.8654 -13.7802 -13.7802 -13.5680 -13.5680 11.3879 11.3879 12.6107 12.6107 13.0405 13.0405 13.2200 13.2200 14.8532 14.8532 15.4918 15.4918 15.9498 15.9498 18.7318 18.7318 k = 0.2424 0.4199-0.0000 ( 1707 PWs) bands (ev): -47.1107 -47.1107 -47.0847 -47.0847 -21.5045 -21.5045 -21.4248 -21.4248 -13.9391 -13.9391 -13.8588 -13.8588 -13.7748 -13.7748 -13.5581 -13.5581 11.2721 11.2721 12.6330 12.6330 13.0536 13.0536 13.2231 13.2231 14.8656 14.8656 15.5189 15.5189 15.9011 15.9011 18.6609 18.6609 k = 0.2374 0.4111-0.0000 ( 1703 PWs) bands (ev): -47.1120 -47.1120 -47.0846 -47.0846 -21.5047 -21.5047 -21.4202 -21.4202 -13.9440 -13.9440 -13.8514 -13.8514 -13.7690 -13.7690 -13.5484 -13.5484 11.1544 11.1544 12.6575 12.6575 13.0692 13.0692 13.2240 13.2240 14.8801 14.8801 15.5351 15.5351 15.8653 15.8653 18.5901 18.5901 k = 0.2323 0.4024-0.0000 ( 1703 PWs) bands (ev): -47.1135 -47.1135 -47.0845 -47.0845 -21.5048 -21.5048 -21.4155 -21.4155 -13.9489 -13.9489 -13.8435 -13.8435 -13.7627 -13.7627 -13.5387 -13.5387 11.0351 11.0351 12.6839 12.6839 13.0868 13.0868 13.2231 13.2231 14.8966 14.8966 15.5358 15.5358 15.8480 15.8480 18.5194 18.5194 k = 0.2273 0.3936-0.0000 ( 1703 PWs) bands (ev): -47.1149 -47.1149 -47.0845 -47.0845 -21.5049 -21.5049 -21.4107 -21.4107 -13.9537 -13.9537 -13.8351 -13.8351 -13.7561 -13.7561 -13.5292 -13.5292 10.9144 10.9144 12.7122 12.7122 13.1058 13.1058 13.2207 13.2207 14.9150 14.9150 15.5199 15.5199 15.8509 15.8509 18.4491 18.4491 k = 0.2222 0.3849-0.0000 ( 1707 PWs) bands (ev): -47.1164 -47.1164 -47.0845 -47.0845 -21.5050 -21.5050 -21.4058 -21.4058 -13.9586 -13.9586 -13.8262 -13.8262 -13.7490 -13.7490 -13.5197 -13.5197 10.7928 10.7928 12.7423 12.7423 13.1242 13.1242 13.2185 13.2185 14.9354 14.9354 15.4922 15.4922 15.8699 15.8699 18.3793 18.3793 k = 0.2172 0.3762-0.0000 ( 1711 PWs) bands (ev): -47.1179 -47.1179 -47.0845 -47.0845 -21.5050 -21.5050 -21.4008 -21.4008 -13.9633 -13.9633 -13.8169 -13.8169 -13.7415 -13.7415 -13.5104 -13.5104 10.6705 10.6705 12.7738 12.7738 13.1379 13.1379 13.2209 13.2209 14.9574 14.9574 15.4593 15.4593 15.8990 15.8990 18.3099 18.3099 k = 0.2121 0.3674-0.0000 ( 1715 PWs) bands (ev): -47.1195 -47.1195 -47.0846 -47.0846 -21.5048 -21.5048 -21.3958 -21.3958 -13.9679 -13.9679 -13.8072 -13.8072 -13.7337 -13.7337 -13.5013 -13.5013 10.5477 10.5477 12.8061 12.8061 13.1410 13.1410 13.2337 13.2337 14.9809 14.9809 15.4264 15.4264 15.9339 15.9339 18.2411 18.2411 k = 0.2071 0.3587-0.0000 ( 1719 PWs) bands (ev): -47.1211 -47.1211 -47.0847 -47.0847 -21.5043 -21.5043 -21.3907 -21.3907 -13.9722 -13.9722 -13.7971 -13.7971 -13.7254 -13.7254 -13.4924 -13.4924 10.4247 10.4247 12.8380 12.8380 13.1336 13.1336 13.2577 13.2577 15.0055 15.0055 15.3969 15.3969 15.9720 15.9720 18.1730 18.1730 k = 0.2020 0.3499-0.0000 ( 1719 PWs) bands (ev): -47.1226 -47.1226 -47.0848 -47.0848 -21.5039 -21.5039 -21.3855 -21.3855 -13.9764 -13.9764 -13.7866 -13.7866 -13.7166 -13.7166 -13.4835 -13.4835 10.3018 10.3018 12.8674 12.8674 13.1216 13.1216 13.2892 13.2892 15.0308 15.0308 15.3731 15.3731 16.0118 16.0118 18.1056 18.1056 k = 0.1970 0.3412-0.0000 ( 1719 PWs) bands (ev): -47.1242 -47.1242 -47.0850 -47.0850 -21.5034 -21.5034 -21.3801 -21.3801 -13.9804 -13.9804 -13.7759 -13.7759 -13.7074 -13.7074 -13.4748 -13.4748 10.1792 10.1792 12.8896 12.8896 13.1117 13.1117 13.3256 13.3256 15.0560 15.0560 15.3568 15.3568 16.0525 16.0525 18.0391 18.0391 k = 0.1919 0.3324-0.0000 ( 1717 PWs) bands (ev): -47.1258 -47.1258 -47.0852 -47.0852 -21.5028 -21.5028 -21.3746 -21.3746 -13.9844 -13.9844 -13.7649 -13.7649 -13.6976 -13.6976 -13.4662 -13.4662 10.0571 10.0571 12.8975 12.8975 13.1122 13.1122 13.3656 13.3656 15.0806 15.0806 15.3493 15.3493 16.0934 16.0934 17.9734 17.9734 k = 0.1869 0.3237-0.0000 ( 1713 PWs) bands (ev): -47.1275 -47.1275 -47.0854 -47.0854 -21.5020 -21.5020 -21.3690 -21.3690 -13.9882 -13.9882 -13.7538 -13.7538 -13.6874 -13.6874 -13.4578 -13.4578 9.9356 9.9356 12.8856 12.8856 13.1292 13.1292 13.4089 13.4089 15.1039 15.1039 15.3517 15.3517 16.1341 16.1341 17.9087 17.9087 k = 0.1818 0.3149-0.0000 ( 1713 PWs) bands (ev): -47.1291 -47.1291 -47.0857 -47.0857 -21.5012 -21.5012 -21.3635 -21.3635 -13.9918 -13.9918 -13.7426 -13.7426 -13.6767 -13.6767 -13.4497 -13.4497 9.8150 9.8150 12.8556 12.8556 13.1612 13.1612 13.4550 13.4550 15.1260 15.1260 15.3641 15.3641 16.1744 16.1744 17.8449 17.8449 k = 0.1768 0.3062-0.0000 ( 1711 PWs) bands (ev): -47.1307 -47.1307 -47.0859 -47.0859 -21.5003 -21.5003 -21.3579 -21.3579 -13.9953 -13.9953 -13.7312 -13.7312 -13.6655 -13.6655 -13.4417 -13.4417 9.6955 9.6955 12.8128 12.8128 13.2034 13.2034 13.5038 13.5038 15.1472 15.1472 15.3860 15.3860 16.2141 16.2141 17.7822 17.7822 k = 0.1717 0.2974-0.0000 ( 1713 PWs) bands (ev): -47.1324 -47.1324 -47.0862 -47.0862 -21.4993 -21.4993 -21.3524 -21.3524 -13.9987 -13.9987 -13.7199 -13.7199 -13.6539 -13.6539 -13.4340 -13.4340 9.5772 9.5772 12.7609 12.7609 13.2521 13.2521 13.5552 13.5552 15.1688 15.1688 15.4160 15.4160 16.2530 16.2530 17.7205 17.7205 k = 0.1667 0.2887-0.0000 ( 1701 PWs) bands (ev): -47.1340 -47.1340 -47.0865 -47.0865 -21.4980 -21.4980 -21.3468 -21.3468 -14.0018 -14.0018 -13.7084 -13.7084 -13.6417 -13.6417 -13.4264 -13.4264 9.4602 9.4602 12.7025 12.7025 13.3055 13.3055 13.6090 13.6090 15.1919 15.1919 15.4528 15.4528 16.2910 16.2910 17.6599 17.6599 k = 0.1616 0.2799-0.0000 ( 1697 PWs) bands (ev): -47.1356 -47.1356 -47.0869 -47.0869 -21.4968 -21.4968 -21.3412 -21.3412 -14.0048 -14.0048 -13.6971 -13.6971 -13.6291 -13.6291 -13.4190 -13.4190 9.3448 9.3448 12.6390 12.6390 13.3625 13.3625 13.6652 13.6652 15.2175 15.2175 15.4950 15.4950 16.3280 16.3280 17.6002 17.6002 k = 0.1566 0.2712-0.0000 ( 1697 PWs) bands (ev): -47.1373 -47.1373 -47.0872 -47.0872 -21.4956 -21.4956 -21.3357 -21.3357 -14.0077 -14.0077 -13.6858 -13.6858 -13.6163 -13.6163 -13.4119 -13.4119 9.2311 9.2311 12.5715 12.5715 13.4222 13.4222 13.7235 13.7235 15.2461 15.2461 15.5416 15.5416 16.3638 16.3638 17.5414 17.5414 k = 0.1515 0.2624-0.0000 ( 1695 PWs) bands (ev): -47.1389 -47.1389 -47.0876 -47.0876 -21.4945 -21.4945 -21.3301 -21.3301 -14.0107 -14.0107 -13.6747 -13.6747 -13.6029 -13.6029 -13.4050 -13.4050 9.1193 9.1193 12.5008 12.5008 13.4845 13.4845 13.7840 13.7840 15.2780 15.2780 15.5917 15.5917 16.3984 16.3984 17.4832 17.4832 k = 0.1465 0.2537-0.0000 ( 1693 PWs) bands (ev): -47.1405 -47.1405 -47.0880 -47.0880 -21.4933 -21.4933 -21.3245 -21.3245 -14.0135 -14.0135 -13.6636 -13.6636 -13.5893 -13.5893 -13.3982 -13.3982 9.0095 9.0095 12.4275 12.4275 13.5489 13.5489 13.8465 13.8465 15.3134 15.3134 15.6448 15.6448 16.4316 16.4316 17.4250 17.4250 k = 0.1414 0.2449-0.0000 ( 1697 PWs) bands (ev): -47.1421 -47.1421 -47.0884 -47.0884 -21.4921 -21.4921 -21.3191 -21.3191 -14.0162 -14.0162 -13.6526 -13.6526 -13.5756 -13.5756 -13.3918 -13.3918 8.9018 8.9018 12.3523 12.3523 13.6152 13.6152 13.9110 13.9110 15.3520 15.3520 15.7005 15.7005 16.4634 16.4634 17.3657 17.3657 k = 0.1364 0.2362-0.0000 ( 1693 PWs) bands (ev): -47.1437 -47.1437 -47.0888 -47.0888 -21.4907 -21.4907 -21.3137 -21.3137 -14.0188 -14.0188 -13.6416 -13.6416 -13.5615 -13.5615 -13.3855 -13.3855 8.7964 8.7964 12.2758 12.2758 13.6832 13.6832 13.9772 13.9772 15.3938 15.3938 15.7582 15.7582 16.4935 16.4935 17.3026 17.3026 k = 0.1313 0.2274-0.0000 ( 1693 PWs) bands (ev): -47.1452 -47.1452 -47.0892 -47.0892 -21.4894 -21.4894 -21.3083 -21.3083 -14.0213 -14.0213 -13.6309 -13.6309 -13.5473 -13.5473 -13.3795 -13.3795 8.6935 8.6935 12.1983 12.1983 13.7527 13.7527 14.0451 14.0451 15.4385 15.4385 15.8177 15.8177 16.5217 16.5217 17.2316 17.2316 k = 0.1263 0.2187-0.0000 ( 1697 PWs) bands (ev): -47.1468 -47.1468 -47.0897 -47.0897 -21.4882 -21.4882 -21.3032 -21.3032 -14.0237 -14.0237 -13.6203 -13.6203 -13.5331 -13.5331 -13.3737 -13.3737 8.5931 8.5931 12.1205 12.1205 13.8235 13.8235 14.1145 14.1145 15.4857 15.4857 15.8785 15.8785 16.5477 16.5477 17.1504 17.1504 k = 0.1212 0.2099-0.0000 ( 1703 PWs) bands (ev): -47.1483 -47.1483 -47.0901 -47.0901 -21.4870 -21.4870 -21.2981 -21.2981 -14.0261 -14.0261 -13.6098 -13.6098 -13.5189 -13.5189 -13.3683 -13.3683 8.4954 8.4954 12.0427 12.0427 13.8953 13.8953 14.1853 14.1853 15.5352 15.5352 15.9404 15.9404 16.5709 16.5709 17.0631 17.0631 k = 0.1162 0.2012-0.0000 ( 1703 PWs) bands (ev): -47.1497 -47.1497 -47.0906 -47.0906 -21.4856 -21.4856 -21.2930 -21.2930 -14.0283 -14.0283 -13.5995 -13.5995 -13.5047 -13.5047 -13.3630 -13.3630 8.4006 8.4006 11.9653 11.9653 13.9680 13.9680 14.2574 14.2574 15.5867 15.5867 16.0027 16.0027 16.5901 16.5901 16.9756 16.9756 k = 0.1111 0.1925-0.0000 ( 1699 PWs) bands (ev): -47.1512 -47.1512 -47.0910 -47.0910 -21.4842 -21.4842 -21.2880 -21.2880 -14.0304 -14.0304 -13.5893 -13.5893 -13.4906 -13.4906 -13.3579 -13.3579 8.3088 8.3088 11.8887 11.8887 14.0413 14.0413 14.3305 14.3305 15.6397 15.6397 16.0649 16.0649 16.6034 16.6034 16.8935 16.8935 k = 0.1061 0.1837-0.0000 ( 1707 PWs) bands (ev): -47.1526 -47.1526 -47.0915 -47.0915 -21.4830 -21.4830 -21.2835 -21.2835 -14.0324 -14.0324 -13.5793 -13.5793 -13.4768 -13.4768 -13.3532 -13.3532 8.2200 8.2200 11.8132 11.8132 14.1150 14.1150 14.4045 14.4045 15.6939 15.6939 16.1261 16.1261 16.6059 16.6059 16.8228 16.8228 k = 0.1010 0.1750-0.0000 ( 1707 PWs) bands (ev): -47.1539 -47.1539 -47.0919 -47.0919 -21.4817 -21.4817 -21.2788 -21.2788 -14.0344 -14.0344 -13.5696 -13.5696 -13.4631 -13.4631 -13.3486 -13.3486 8.1344 8.1344 11.7392 11.7392 14.1887 14.1887 14.4792 14.4792 15.7489 15.7489 16.1851 16.1851 16.5896 16.5896 16.7726 16.7726 k = 0.0960 0.1662-0.0000 ( 1711 PWs) bands (ev): -47.1553 -47.1553 -47.0923 -47.0923 -21.4804 -21.4804 -21.2744 -21.2744 -14.0362 -14.0362 -13.5600 -13.5600 -13.4497 -13.4497 -13.3443 -13.3443 8.0522 8.0522 11.6670 11.6670 14.2622 14.2622 14.5545 14.5545 15.8043 15.8043 16.2393 16.2393 16.5514 16.5514 16.7478 16.7478 k = 0.0909 0.1575-0.0000 ( 1715 PWs) bands (ev): -47.1565 -47.1565 -47.0928 -47.0928 -21.4793 -21.4793 -21.2701 -21.2701 -14.0381 -14.0381 -13.5508 -13.5508 -13.4366 -13.4366 -13.3402 -13.3402 7.9734 7.9734 11.5968 11.5968 14.3351 14.3351 14.6301 14.6301 15.8596 15.8596 16.2838 16.2838 16.5038 16.5038 16.7399 16.7399 k = 0.0859 0.1487-0.0000 ( 1715 PWs) bands (ev): -47.1577 -47.1577 -47.0932 -47.0932 -21.4781 -21.4781 -21.2659 -21.2659 -14.0397 -14.0397 -13.5418 -13.5418 -13.4239 -13.4239 -13.3364 -13.3364 7.8982 7.8982 11.5290 11.5290 14.4072 14.4072 14.7057 14.7057 15.9143 15.9143 16.3064 16.3064 16.4670 16.4670 16.7401 16.7401 k = 0.0808 0.1400-0.0000 ( 1721 PWs) bands (ev): -47.1589 -47.1589 -47.0936 -47.0936 -21.4770 -21.4770 -21.2620 -21.2620 -14.0414 -14.0414 -13.5333 -13.5333 -13.4117 -13.4117 -13.3328 -13.3328 7.8266 7.8266 11.4637 11.4637 14.4781 14.4781 14.7813 14.7813 15.9678 15.9678 16.2917 16.2917 16.4584 16.4584 16.7461 16.7461 k = 0.0758 0.1312-0.0000 ( 1721 PWs) bands (ev): -47.1600 -47.1600 -47.0940 -47.0940 -21.4759 -21.4759 -21.2582 -21.2582 -14.0429 -14.0429 -13.5249 -13.5249 -13.3999 -13.3999 -13.3294 -13.3294 7.7589 7.7589 11.4012 11.4012 14.5474 14.5474 14.8564 14.8564 16.0194 16.0194 16.2507 16.2507 16.4660 16.4660 16.7594 16.7594 k = 0.0707 0.1225-0.0000 ( 1725 PWs) bands (ev): -47.1610 -47.1610 -47.0943 -47.0943 -21.4749 -21.4749 -21.2546 -21.2546 -14.0443 -14.0443 -13.5171 -13.5171 -13.3886 -13.3886 -13.3263 -13.3263 7.6950 7.6950 11.3418 11.3418 14.6147 14.6147 14.9309 14.9309 16.0674 16.0674 16.2030 16.2030 16.4698 16.4698 16.7809 16.7809 k = 0.0657 0.1137-0.0000 ( 1723 PWs) bands (ev): -47.1620 -47.1620 -47.0947 -47.0947 -21.4738 -21.4738 -21.2512 -21.2512 -14.0456 -14.0456 -13.5095 -13.5095 -13.3778 -13.3778 -13.3233 -13.3233 7.6350 7.6350 11.2855 11.2855 14.6797 14.6797 15.0044 15.0044 16.1039 16.1039 16.1640 16.1640 16.4632 16.4632 16.8089 16.8089 k = 0.0606 0.1050-0.0000 ( 1723 PWs) bands (ev): -47.1629 -47.1629 -47.0950 -47.0950 -21.4729 -21.4729 -21.2480 -21.2480 -14.0468 -14.0468 -13.5024 -13.5024 -13.3677 -13.3677 -13.3206 -13.3206 7.5791 7.5791 11.2327 11.2327 14.7418 14.7418 15.0767 15.0767 16.0895 16.0895 16.1750 16.1750 16.4470 16.4470 16.8374 16.8374 k = 0.0556 0.0962-0.0000 ( 1725 PWs) bands (ev): -47.1638 -47.1638 -47.0953 -47.0953 -21.4720 -21.4720 -21.2451 -21.2451 -14.0479 -14.0479 -13.4958 -13.4958 -13.3583 -13.3583 -13.3182 -13.3182 7.5274 7.5274 11.1835 11.1835 14.8008 14.8008 15.1474 15.1474 16.0500 16.0500 16.2107 16.2107 16.4233 16.4233 16.8572 16.8572 k = 0.0505 0.0875-0.0000 ( 1729 PWs) bands (ev): -47.1646 -47.1646 -47.0956 -47.0956 -21.4712 -21.4712 -21.2425 -21.2425 -14.0490 -14.0490 -13.4896 -13.4896 -13.3496 -13.3496 -13.3160 -13.3160 7.4799 7.4799 11.1381 11.1381 14.8562 14.8562 15.2160 15.2160 16.0115 16.0115 16.2453 16.2453 16.3943 16.3943 16.8608 16.8608 k = 0.0455 0.0787-0.0000 ( 1729 PWs) bands (ev): -47.1653 -47.1653 -47.0959 -47.0959 -21.4704 -21.4704 -21.2400 -21.2400 -14.0499 -14.0499 -13.4839 -13.4839 -13.3415 -13.3415 -13.3140 -13.3140 7.4367 7.4367 11.0965 11.0965 14.9076 14.9076 15.2821 15.2821 15.9770 15.9770 16.2753 16.2753 16.3617 16.3617 16.8529 16.8529 k = 0.0404 0.0700-0.0000 ( 1729 PWs) bands (ev): -47.1659 -47.1659 -47.0961 -47.0961 -21.4698 -21.4698 -21.2377 -21.2377 -14.0508 -14.0508 -13.4789 -13.4789 -13.3342 -13.3342 -13.3122 -13.3122 7.3978 7.3978 11.0589 11.0589 14.9546 14.9546 15.3449 15.3449 15.9475 15.9475 16.2980 16.2980 16.3286 16.3286 16.8424 16.8424 k = 0.0354 0.0612-0.0000 ( 1729 PWs) bands (ev): -47.1665 -47.1665 -47.0964 -47.0964 -21.4692 -21.4692 -21.2357 -21.2357 -14.0515 -14.0515 -13.4742 -13.4742 -13.3277 -13.3277 -13.3106 -13.3106 7.3634 7.3634 11.0255 11.0255 14.9970 14.9970 15.4036 15.4036 15.9240 15.9240 16.2830 16.2830 16.3259 16.3259 16.8337 16.8337 k = 0.0303 0.0525-0.0000 ( 1729 PWs) bands (ev): -47.1670 -47.1670 -47.0966 -47.0966 -21.4686 -21.4686 -21.2340 -21.2340 -14.0522 -14.0522 -13.4702 -13.4702 -13.3220 -13.3220 -13.3093 -13.3093 7.3334 7.3334 10.9964 10.9964 15.0343 15.0343 15.4572 15.4572 15.9074 15.9074 16.2447 16.2447 16.3399 16.3399 16.8281 16.8281 k = 0.0253 0.0437-0.0000 ( 1729 PWs) bands (ev): -47.1674 -47.1674 -47.0967 -47.0967 -21.4682 -21.4682 -21.2324 -21.2324 -14.0528 -14.0528 -13.4668 -13.4668 -13.3171 -13.3171 -13.3081 -13.3081 7.3080 7.3080 10.9716 10.9716 15.0664 15.0664 15.5041 15.5041 15.8990 15.8990 16.2041 16.2041 16.3508 16.3508 16.8255 16.8255 k = 0.0202 0.0350-0.0000 ( 1721 PWs) bands (ev): -47.1677 -47.1677 -47.0968 -47.0968 -21.4678 -21.4678 -21.2310 -21.2310 -14.0532 -14.0532 -13.4639 -13.4639 -13.3128 -13.3128 -13.3071 -13.3071 7.2872 7.2872 10.9512 10.9512 15.0930 15.0930 15.5429 15.5429 15.8999 15.8999 16.1625 16.1625 16.3584 16.3584 16.8251 16.8251 k = 0.0152 0.0262-0.0000 ( 1721 PWs) bands (ev): -47.1680 -47.1680 -47.0970 -47.0970 -21.4675 -21.4675 -21.2301 -21.2301 -14.0535 -14.0535 -13.4617 -13.4617 -13.3097 -13.3097 -13.3064 -13.3064 7.2709 7.2709 10.9352 10.9352 15.1138 15.1138 15.5722 15.5722 15.9110 15.9110 16.1205 16.1205 16.3633 16.3633 16.8261 16.8261 k = 0.0101 0.0175-0.0000 ( 1721 PWs) bands (ev): -47.1682 -47.1682 -47.0970 -47.0970 -21.4673 -21.4673 -21.2294 -21.2294 -14.0538 -14.0538 -13.4601 -13.4601 -13.3075 -13.3075 -13.3059 -13.3059 7.2593 7.2593 10.9238 10.9238 15.1288 15.1288 15.5920 15.5920 15.9319 15.9319 16.0787 16.0787 16.3662 16.3662 16.8275 16.8275 k = 0.0051 0.0087-0.0000 ( 1725 PWs) bands (ev): -47.1683 -47.1683 -47.0971 -47.0971 -21.4673 -21.4673 -21.2290 -21.2290 -14.0540 -14.0540 -13.4592 -13.4592 -13.3061 -13.3061 -13.3055 -13.3055 7.2523 7.2523 10.9169 10.9169 15.1378 15.1378 15.6030 15.6030 15.9604 15.9604 16.0386 16.0386 16.3677 16.3677 16.8286 16.8286 k = 0.0000 0.0000 0.0000 ( 1725 PWs) bands (ev): -47.1684 -47.1684 -47.0971 -47.0971 -21.4672 -21.4672 -21.2289 -21.2289 -14.0541 -14.0541 -13.4589 -13.4589 -13.3057 -13.3057 -13.3054 -13.3054 7.2500 7.2500 10.9146 10.9146 15.1408 15.1408 15.6065 15.6065 15.9856 15.9856 16.0096 16.0096 16.3682 16.3682 16.8290 16.8290 k = 0.0000 0.0000 0.0000 ( 1725 PWs) bands (ev): -47.1684 -47.1684 -47.0971 -47.0971 -21.4672 -21.4672 -21.2289 -21.2289 -14.0541 -14.0541 -13.4589 -13.4589 -13.3057 -13.3057 -13.3054 -13.3054 7.2500 7.2500 10.9146 10.9146 15.1408 15.1408 15.6065 15.6065 15.9856 15.9856 16.0096 16.0096 16.3682 16.3682 16.8290 16.8290 k = 0.0000 0.0000 0.0099 ( 1719 PWs) bands (ev): -47.1683 -47.1683 -47.0971 -47.0971 -21.4669 -21.4669 -21.2290 -21.2290 -14.0535 -14.0535 -13.4587 -13.4587 -13.3059 -13.3059 -13.3058 -13.3058 7.2522 7.2522 10.9135 10.9135 15.1375 15.1375 15.6053 15.6053 15.9791 15.9791 16.0125 16.0125 16.3666 16.3666 16.8268 16.8268 k = 0.0000 0.0000 0.0197 ( 1719 PWs) bands (ev): -47.1682 -47.1682 -47.0973 -47.0973 -21.4665 -21.4665 -21.2294 -21.2294 -14.0523 -14.0523 -13.4585 -13.4585 -13.3074 -13.3074 -13.3061 -13.3061 7.2590 7.2590 10.9101 10.9101 15.1274 15.1274 15.6019 15.6019 15.9645 15.9645 16.0161 16.0161 16.3620 16.3620 16.8201 16.8201 k = 0.0000 0.0000 0.0296 ( 1719 PWs) bands (ev): -47.1680 -47.1680 -47.0975 -47.0975 -21.4657 -21.4657 -21.2301 -21.2301 -14.0502 -14.0502 -13.4580 -13.4580 -13.3099 -13.3099 -13.3066 -13.3066 7.2703 7.2703 10.9044 10.9044 15.1108 15.1108 15.5963 15.5963 15.9457 15.9457 16.0168 16.0168 16.3544 16.3544 16.8090 16.8090 k = 0.0000 0.0000 0.0395 ( 1713 PWs) bands (ev): -47.1677 -47.1677 -47.0978 -47.0978 -21.4647 -21.4647 -21.2309 -21.2309 -14.0474 -14.0474 -13.4574 -13.4574 -13.3131 -13.3131 -13.3072 -13.3072 7.2861 7.2861 10.8963 10.8963 15.0882 15.0882 15.5887 15.5887 15.9240 15.9240 16.0138 16.0138 16.3438 16.3438 16.7937 16.7937 k = 0.0000 0.0000 0.0494 ( 1713 PWs) bands (ev): -47.1673 -47.1673 -47.0982 -47.0982 -21.4634 -21.4634 -21.2322 -21.2322 -14.0437 -14.0437 -13.4566 -13.4566 -13.3175 -13.3175 -13.3080 -13.3080 7.3063 7.3063 10.8857 10.8857 15.0600 15.0600 15.5794 15.5794 15.9000 15.9000 16.0067 16.0067 16.3301 16.3301 16.7744 16.7744 k = 0.0000 0.0000 0.0592 ( 1725 PWs) bands (ev): -47.1668 -47.1668 -47.0986 -47.0986 -21.4619 -21.4619 -21.2340 -21.2340 -14.0393 -14.0393 -13.4556 -13.4556 -13.3231 -13.3231 -13.3092 -13.3092 7.3310 7.3310 10.8725 10.8725 15.0270 15.0270 15.5687 15.5687 15.8743 15.8743 15.9959 15.9959 16.3136 16.3136 16.7515 16.7515 k = 0.0000 0.0000 0.0691 ( 1731 PWs) bands (ev): -47.1663 -47.1663 -47.0992 -47.0992 -21.4602 -21.4602 -21.2359 -21.2359 -14.0342 -14.0342 -13.4545 -13.4545 -13.3295 -13.3295 -13.3104 -13.3104 7.3600 7.3600 10.8563 10.8563 14.9899 14.9899 15.5570 15.5570 15.8470 15.8470 15.9814 15.9814 16.2944 16.2944 16.7252 16.7252 k = 0.0000 0.0000 0.0790 ( 1731 PWs) bands (ev): -47.1657 -47.1657 -47.0998 -47.0998 -21.4581 -21.4581 -21.2380 -21.2380 -14.0281 -14.0281 -13.4531 -13.4531 -13.3368 -13.3368 -13.3118 -13.3118 7.3934 7.3934 10.8372 10.8372 14.9496 14.9496 15.5444 15.5444 15.8183 15.8183 15.9639 15.9639 16.2725 16.2725 16.6958 16.6958 k = 0.0000 0.0000 0.0889 ( 1731 PWs) bands (ev): -47.1650 -47.1650 -47.1005 -47.1005 -21.4557 -21.4557 -21.2403 -21.2403 -14.0213 -14.0213 -13.4516 -13.4516 -13.3449 -13.3449 -13.3133 -13.3133 7.4311 7.4311 10.8147 10.8147 14.9069 14.9069 15.5315 15.5315 15.7884 15.7884 15.9437 15.9437 16.2483 16.2483 16.6637 16.6637 k = 0.0000 0.0000 0.0987 ( 1731 PWs) bands (ev): -47.1642 -47.1642 -47.1013 -47.1013 -21.4530 -21.4530 -21.2429 -21.2429 -14.0137 -14.0137 -13.4499 -13.4499 -13.3539 -13.3539 -13.3150 -13.3150 7.4729 7.4729 10.7888 10.7888 14.8628 14.8628 15.5184 15.5184 15.7572 15.7572 15.9216 15.9216 16.2218 16.2218 16.6293 16.6293 k = 0.0000 0.0000 0.1086 ( 1731 PWs) bands (ev): -47.1633 -47.1633 -47.1022 -47.1022 -21.4501 -21.4501 -21.2458 -21.2458 -14.0053 -14.0053 -13.4481 -13.4481 -13.3638 -13.3638 -13.3169 -13.3169 7.5190 7.5190 10.7592 10.7592 14.8181 14.8181 15.5054 15.5054 15.7244 15.7244 15.8983 15.8983 16.1934 16.1934 16.5929 16.5929 k = 0.0000 0.0000 0.1185 ( 1731 PWs) bands (ev): -47.1624 -47.1624 -47.1031 -47.1031 -21.4469 -21.4469 -21.2489 -21.2489 -13.9963 -13.9963 -13.4461 -13.4461 -13.3745 -13.3745 -13.3189 -13.3189 7.5691 7.5691 10.7256 10.7256 14.7737 14.7737 15.4929 15.4929 15.6897 15.6897 15.8746 15.8746 16.1633 16.1633 16.5549 16.5549 k = 0.0000 0.0000 0.1283 ( 1731 PWs) bands (ev): -47.1614 -47.1614 -47.1042 -47.1042 -21.4435 -21.4435 -21.2522 -21.2522 -13.9865 -13.9865 -13.4440 -13.4440 -13.3859 -13.3859 -13.3211 -13.3211 7.6231 7.6231 10.6879 10.6879 14.7306 14.7306 15.4810 15.4810 15.6528 15.6528 15.8513 15.8513 16.1317 16.1317 16.5156 16.5156 k = 0.0000 0.0000 0.1382 ( 1719 PWs) bands (ev): -47.1603 -47.1603 -47.1052 -47.1052 -21.4396 -21.4396 -21.2557 -21.2557 -13.9759 -13.9759 -13.4414 -13.4414 -13.3981 -13.3981 -13.3234 -13.3234 7.6811 7.6811 10.6458 10.6458 14.6895 14.6895 15.4700 15.4700 15.6135 15.6135 15.8292 15.8292 16.0989 16.0989 16.4753 16.4753 k = 0.0000 0.0000 0.1481 ( 1731 PWs) bands (ev): -47.1592 -47.1592 -47.1064 -47.1064 -21.4358 -21.4358 -21.2598 -21.2598 -13.9647 -13.9647 -13.4391 -13.4391 -13.4111 -13.4111 -13.3261 -13.3261 7.7428 7.7428 10.5992 10.5992 14.6512 14.6512 15.4601 15.4601 15.5716 15.5716 15.8088 15.8088 16.0652 16.0652 16.4343 16.4343 k = 0.0000 0.0000 0.1580 ( 1719 PWs) bands (ev): -47.1580 -47.1580 -47.1075 -47.1075 -21.4314 -21.4314 -21.2637 -21.2637 -13.9527 -13.9527 -13.4364 -13.4364 -13.4246 -13.4246 -13.3287 -13.3287 7.8082 7.8082 10.5481 10.5481 14.6162 14.6162 15.4514 15.4514 15.5271 15.5271 15.7906 15.7906 16.0309 16.0309 16.3929 16.3929 k = 0.0000 0.0000 0.1678 ( 1719 PWs) bands (ev): -47.1568 -47.1568 -47.1088 -47.1088 -21.4272 -21.4272 -21.2679 -21.2679 -13.9402 -13.9402 -13.4388 -13.4388 -13.4337 -13.4337 -13.3315 -13.3315 7.8771 7.8771 10.4923 10.4923 14.5853 14.5853 15.4441 15.4441 15.4802 15.4802 15.7748 15.7748 15.9961 15.9961 16.3514 16.3514 k = 0.0000 0.0000 0.1777 ( 1713 PWs) bands (ev): -47.1554 -47.1554 -47.1101 -47.1101 -21.4226 -21.4226 -21.2721 -21.2721 -13.9271 -13.9271 -13.4535 -13.4535 -13.4308 -13.4308 -13.3342 -13.3342 7.9494 7.9494 10.4318 10.4318 14.5587 14.5587 15.4311 15.4311 15.4382 15.4382 15.7616 15.7616 15.9610 15.9610 16.3099 16.3099 k = 0.0000 0.0000 0.1876 ( 1713 PWs) bands (ev): -47.1540 -47.1540 -47.1115 -47.1115 -21.4180 -21.4180 -21.2767 -21.2767 -13.9135 -13.9135 -13.4688 -13.4688 -13.4279 -13.4279 -13.3372 -13.3372 8.0249 8.0249 10.3667 10.3667 14.5370 14.5370 15.3800 15.3800 15.4339 15.4339 15.7510 15.7510 15.9260 15.9260 16.2689 16.2689 k = 0.0000 0.0000 0.1975 ( 1713 PWs) bands (ev): -47.1526 -47.1526 -47.1130 -47.1130 -21.4132 -21.4132 -21.2814 -21.2814 -13.8993 -13.8993 -13.4847 -13.4847 -13.4248 -13.4248 -13.3403 -13.3403 8.1036 8.1036 10.2972 10.2972 14.5204 14.5204 15.3275 15.3275 15.4313 15.4313 15.7430 15.7430 15.8911 15.8911 16.2283 16.2283 k = 0.0000 0.0000 0.2073 ( 1713 PWs) bands (ev): -47.1512 -47.1512 -47.1144 -47.1144 -21.4082 -21.4082 -21.2864 -21.2864 -13.8845 -13.8845 -13.5010 -13.5010 -13.4217 -13.4217 -13.3435 -13.3435 8.1852 8.1852 10.2234 10.2234 14.5090 14.5090 15.2738 15.2738 15.4305 15.4305 15.7377 15.7377 15.8567 15.8567 16.1886 16.1886 k = 0.0000 0.0000 0.2172 ( 1713 PWs) bands (ev): -47.1496 -47.1496 -47.1160 -47.1160 -21.4030 -21.4030 -21.2914 -21.2914 -13.8693 -13.8693 -13.5178 -13.5178 -13.4184 -13.4184 -13.3468 -13.3468 8.2696 8.2696 10.1455 10.1455 14.5030 14.5030 15.2193 15.2193 15.4314 15.4314 15.7349 15.7349 15.8228 15.8228 16.1497 16.1497 k = 0.0000 0.0000 0.2271 ( 1713 PWs) bands (ev): -47.1481 -47.1481 -47.1175 -47.1175 -21.3978 -21.3978 -21.2966 -21.2966 -13.8536 -13.8536 -13.5349 -13.5349 -13.4151 -13.4151 -13.3501 -13.3501 8.3565 8.3565 10.0638 10.0638 14.5023 14.5023 15.1645 15.1645 15.4342 15.4342 15.7347 15.7347 15.7896 15.7896 16.1119 16.1119 k = 0.0000 0.0000 0.2369 ( 1701 PWs) bands (ev): -47.1465 -47.1465 -47.1191 -47.1191 -21.3923 -21.3923 -21.3016 -21.3016 -13.8374 -13.8374 -13.5520 -13.5520 -13.4116 -13.4116 -13.3535 -13.3535 8.4459 8.4459 9.9787 9.9787 14.5070 14.5070 15.1096 15.1096 15.4389 15.4389 15.7370 15.7370 15.7572 15.7572 16.0753 16.0753 k = 0.0000 0.0000 0.2468 ( 1695 PWs) bands (ev): -47.1448 -47.1448 -47.1207 -47.1207 -21.3866 -21.3866 -21.3070 -21.3070 -13.8207 -13.8207 -13.5696 -13.5696 -13.4081 -13.4081 -13.3571 -13.3571 8.5374 8.5374 9.8905 9.8905 14.5168 14.5168 15.0551 15.0551 15.4454 15.4454 15.7259 15.7259 15.7417 15.7417 16.0400 16.0400 k = 0.0000 0.0000 0.2567 ( 1701 PWs) bands (ev): -47.1432 -47.1432 -47.1224 -47.1224 -21.3812 -21.3812 -21.3126 -21.3126 -13.8039 -13.8039 -13.5876 -13.5876 -13.4047 -13.4047 -13.3607 -13.3607 8.6308 8.6308 9.7995 9.7995 14.5316 14.5316 15.0012 15.0012 15.4539 15.4539 15.6957 15.6957 15.7488 15.7488 16.0063 16.0063 k = 0.0000 0.0000 0.2666 ( 1695 PWs) bands (ev): -47.1414 -47.1414 -47.1241 -47.1241 -21.3757 -21.3757 -21.3179 -21.3179 -13.7868 -13.7868 -13.6055 -13.6055 -13.4012 -13.4012 -13.3640 -13.3640 8.7260 8.7260 9.7061 9.7061 14.5513 14.5513 14.9484 14.9484 15.4642 15.4642 15.6668 15.6668 15.7584 15.7584 15.9741 15.9741 k = 0.0000 0.0000 0.2764 ( 1689 PWs) bands (ev): -47.1397 -47.1397 -47.1258 -47.1258 -21.3700 -21.3700 -21.3234 -21.3234 -13.7692 -13.7692 -13.6235 -13.6235 -13.3975 -13.3975 -13.3676 -13.3676 8.8226 8.8226 9.6108 9.6108 14.5754 14.5754 14.8970 14.8970 15.4765 15.4765 15.6392 15.6392 15.7703 15.7703 15.9436 15.9436 k = 0.0000 0.0000 0.2863 ( 1690 PWs) bands (ev): -47.1380 -47.1380 -47.1276 -47.1276 -21.3642 -21.3642 -21.3292 -21.3292 -13.7515 -13.7515 -13.6419 -13.6419 -13.3938 -13.3938 -13.3714 -13.3714 8.9203 8.9203 9.5139 9.5139 14.6039 14.6039 14.8473 14.8473 15.4906 15.4906 15.6130 15.6130 15.7845 15.7845 15.9149 15.9149 k = 0.0000 0.0000 0.2962 ( 1690 PWs) bands (ev): -47.1363 -47.1363 -47.1293 -47.1293 -21.3584 -21.3584 -21.3350 -21.3350 -13.7335 -13.7335 -13.6603 -13.6603 -13.3901 -13.3901 -13.3751 -13.3751 9.0189 9.0189 9.4158 9.4158 14.6363 14.6363 14.7997 14.7997 15.5066 15.5066 15.5884 15.5884 15.8009 15.8009 15.8881 15.8881 k = 0.0000 0.0000 0.3061 ( 1690 PWs) bands (ev): -47.1345 -47.1345 -47.1310 -47.1310 -21.3525 -21.3525 -21.3408 -21.3408 -13.7154 -13.7154 -13.6787 -13.6787 -13.3864 -13.3864 -13.3789 -13.3789 9.1181 9.1181 9.3169 9.3169 14.6724 14.6724 14.7544 14.7544 15.5245 15.5245 15.5654 15.5654 15.8195 15.8195 15.8632 15.8632 k = 0.0000 0.0000 0.3159 ( 1690 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -21.3467 -21.3467 -21.3467 -21.3467 -13.6971 -13.6971 -13.6971 -13.6971 -13.3826 -13.3826 -13.3826 -13.3826 9.2175 9.2175 9.2175 9.2175 14.7119 14.7119 14.7119 14.7119 15.5441 15.5441 15.5441 15.5441 15.8403 15.8403 15.8403 15.8403 k = 0.0000 0.0000 0.3159 ( 1690 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -21.3467 -21.3467 -21.3467 -21.3467 -13.6971 -13.6971 -13.6971 -13.6971 -13.3826 -13.3826 -13.3826 -13.3826 9.2175 9.2175 9.2175 9.2175 14.7119 14.7119 14.7119 14.7119 15.5441 15.5441 15.5441 15.5441 15.8403 15.8403 15.8403 15.8403 k = 0.0088 0.0051 0.3159 ( 1690 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -21.3468 -21.3468 -21.3468 -21.3468 -13.6972 -13.6972 -13.6972 -13.6972 -13.3829 -13.3829 -13.3829 -13.3829 9.2196 9.2196 9.2196 9.2196 14.7101 14.7101 14.7101 14.7101 15.5443 15.5443 15.5443 15.5443 15.8407 15.8407 15.8407 15.8407 k = 0.0175 0.0101 0.3159 ( 1690 PWs) bands (ev): -47.1327 -47.1327 -47.1327 -47.1327 -21.3470 -21.3470 -21.3470 -21.3470 -13.6977 -13.6977 -13.6977 -13.6977 -13.3836 -13.3836 -13.3836 -13.3836 9.2258 9.2258 9.2258 9.2258 14.7046 14.7046 14.7046 14.7046 15.5450 15.5450 15.5450 15.5450 15.8419 15.8419 15.8419 15.8419 k = 0.0263 0.0152 0.3159 ( 1690 PWs) bands (ev): -47.1325 -47.1325 -47.1325 -47.1325 -21.3475 -21.3475 -21.3475 -21.3475 -13.6984 -13.6984 -13.6984 -13.6984 -13.3849 -13.3849 -13.3849 -13.3849 9.2361 9.2361 9.2361 9.2361 14.6955 14.6955 14.6955 14.6955 15.5460 15.5460 15.5460 15.5460 15.8441 15.8441 15.8441 15.8441 k = 0.0351 0.0203 0.3159 ( 1686 PWs) bands (ev): -47.1323 -47.1323 -47.1323 -47.1323 -21.3481 -21.3481 -21.3481 -21.3481 -13.6993 -13.6993 -13.6993 -13.6993 -13.3865 -13.3865 -13.3865 -13.3865 9.2505 9.2505 9.2505 9.2505 14.6829 14.6829 14.6829 14.6829 15.5468 15.5468 15.5468 15.5468 15.8477 15.8477 15.8477 15.8477 k = 0.0439 0.0253 0.3159 ( 1686 PWs) bands (ev): -47.1321 -47.1321 -47.1321 -47.1321 -21.3489 -21.3489 -21.3489 -21.3489 -13.7006 -13.7006 -13.7006 -13.7006 -13.3887 -13.3887 -13.3887 -13.3887 9.2690 9.2690 9.2690 9.2690 14.6669 14.6669 14.6669 14.6669 15.5470 15.5470 15.5470 15.5470 15.8531 15.8531 15.8531 15.8531 k = 0.0526 0.0304 0.3159 ( 1686 PWs) bands (ev): -47.1318 -47.1318 -47.1318 -47.1318 -21.3499 -21.3499 -21.3499 -21.3499 -13.7022 -13.7022 -13.7022 -13.7022 -13.3914 -13.3914 -13.3914 -13.3914 9.2914 9.2914 9.2914 9.2914 14.6478 14.6478 14.6478 14.6478 15.5460 15.5460 15.5460 15.5460 15.8609 15.8609 15.8609 15.8609 k = 0.0614 0.0355 0.3159 ( 1692 PWs) bands (ev): -47.1315 -47.1315 -47.1315 -47.1315 -21.3512 -21.3512 -21.3512 -21.3512 -13.7041 -13.7041 -13.7041 -13.7041 -13.3945 -13.3945 -13.3945 -13.3945 9.3177 9.3177 9.3177 9.3177 14.6257 14.6257 14.6257 14.6257 15.5433 15.5433 15.5433 15.5433 15.8715 15.8715 15.8715 15.8715 k = 0.0702 0.0405 0.3159 ( 1688 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -21.3524 -21.3524 -21.3524 -21.3524 -13.7063 -13.7063 -13.7063 -13.7063 -13.3980 -13.3980 -13.3980 -13.3980 9.3479 9.3479 9.3479 9.3479 14.6008 14.6008 14.6008 14.6008 15.5383 15.5383 15.5383 15.5383 15.8854 15.8854 15.8854 15.8854 k = 0.0789 0.0456 0.3159 ( 1694 PWs) bands (ev): -47.1306 -47.1306 -47.1306 -47.1306 -21.3540 -21.3540 -21.3540 -21.3540 -13.7088 -13.7088 -13.7088 -13.7088 -13.4019 -13.4019 -13.4019 -13.4019 9.3818 9.3818 9.3818 9.3818 14.5734 14.5734 14.5734 14.5734 15.5308 15.5308 15.5308 15.5308 15.9030 15.9030 15.9030 15.9030 k = 0.0877 0.0506 0.3159 ( 1694 PWs) bands (ev): -47.1301 -47.1301 -47.1301 -47.1301 -21.3557 -21.3557 -21.3557 -21.3557 -13.7116 -13.7116 -13.7116 -13.7116 -13.4062 -13.4062 -13.4062 -13.4062 9.4194 9.4194 9.4194 9.4194 14.5438 14.5438 14.5438 14.5438 15.5204 15.5204 15.5204 15.5204 15.9244 15.9244 15.9244 15.9244 k = 0.0965 0.0557 0.3159 ( 1698 PWs) bands (ev): -47.1296 -47.1296 -47.1296 -47.1296 -21.3576 -21.3576 -21.3576 -21.3576 -13.7148 -13.7148 -13.7148 -13.7148 -13.4107 -13.4107 -13.4107 -13.4107 9.4604 9.4604 9.4604 9.4604 14.5121 14.5121 14.5121 14.5121 15.5073 15.5073 15.5073 15.5073 15.9498 15.9498 15.9498 15.9498 k = 0.1053 0.0608 0.3159 ( 1698 PWs) bands (ev): -47.1290 -47.1290 -47.1290 -47.1290 -21.3596 -21.3596 -21.3596 -21.3596 -13.7183 -13.7183 -13.7183 -13.7183 -13.4156 -13.4156 -13.4156 -13.4156 9.5048 9.5048 9.5048 9.5048 14.4787 14.4787 14.4787 14.4787 15.4914 15.4914 15.4914 15.4914 15.9789 15.9789 15.9789 15.9789 k = 0.1140 0.0658 0.3159 ( 1694 PWs) bands (ev): -47.1284 -47.1284 -47.1284 -47.1284 -21.3617 -21.3617 -21.3617 -21.3617 -13.7221 -13.7221 -13.7221 -13.7221 -13.4205 -13.4205 -13.4205 -13.4205 9.5523 9.5523 9.5523 9.5523 14.4439 14.4439 14.4439 14.4439 15.4731 15.4731 15.4731 15.4731 16.0116 16.0116 16.0116 16.0116 k = 0.1228 0.0709 0.3159 ( 1694 PWs) bands (ev): -47.1277 -47.1277 -47.1277 -47.1277 -21.3639 -21.3639 -21.3639 -21.3639 -13.7263 -13.7263 -13.7263 -13.7263 -13.4258 -13.4258 -13.4258 -13.4258 9.6029 9.6029 9.6029 9.6029 14.4078 14.4078 14.4078 14.4078 15.4526 15.4526 15.4526 15.4526 16.0477 16.0477 16.0477 16.0477 k = 0.1316 0.0760 0.3159 ( 1698 PWs) bands (ev): -47.1270 -47.1270 -47.1270 -47.1270 -21.3664 -21.3664 -21.3664 -21.3664 -13.7309 -13.7309 -13.7309 -13.7309 -13.4313 -13.4313 -13.4313 -13.4313 9.6564 9.6564 9.6564 9.6564 14.3708 14.3708 14.3708 14.3708 15.4301 15.4301 15.4301 15.4301 16.0868 16.0868 16.0868 16.0868 k = 0.1404 0.0810 0.3159 ( 1698 PWs) bands (ev): -47.1263 -47.1263 -47.1263 -47.1263 -21.3689 -21.3689 -21.3689 -21.3689 -13.7359 -13.7359 -13.7359 -13.7359 -13.4368 -13.4368 -13.4368 -13.4368 9.7124 9.7124 9.7124 9.7124 14.3332 14.3332 14.3332 14.3332 15.4062 15.4062 15.4062 15.4062 16.1288 16.1288 16.1288 16.1288 k = 0.1491 0.0861 0.3159 ( 1698 PWs) bands (ev): -47.1255 -47.1255 -47.1255 -47.1255 -21.3716 -21.3716 -21.3716 -21.3716 -13.7412 -13.7412 -13.7412 -13.7412 -13.4424 -13.4424 -13.4424 -13.4424 9.7708 9.7708 9.7708 9.7708 14.2951 14.2951 14.2951 14.2951 15.3810 15.3810 15.3810 15.3810 16.1733 16.1733 16.1733 16.1733 k = 0.1579 0.0912 0.3159 ( 1702 PWs) bands (ev): -47.1247 -47.1247 -47.1247 -47.1247 -21.3744 -21.3744 -21.3744 -21.3744 -13.7469 -13.7469 -13.7469 -13.7469 -13.4481 -13.4481 -13.4481 -13.4481 9.8314 9.8314 9.8314 9.8314 14.2569 14.2569 14.2569 14.2569 15.3549 15.3549 15.3549 15.3549 16.2200 16.2200 16.2200 16.2200 k = 0.1667 0.0962 0.3159 ( 1698 PWs) bands (ev): -47.1238 -47.1238 -47.1238 -47.1238 -21.3772 -21.3772 -21.3772 -21.3772 -13.7530 -13.7530 -13.7530 -13.7530 -13.4537 -13.4537 -13.4537 -13.4537 9.8939 9.8939 9.8939 9.8939 14.2188 14.2188 14.2188 14.2188 15.3283 15.3283 15.3283 15.3283 16.2687 16.2687 16.2687 16.2687 k = 0.1754 0.1013 0.3159 ( 1698 PWs) bands (ev): -47.1229 -47.1229 -47.1229 -47.1229 -21.3802 -21.3802 -21.3802 -21.3802 -13.7594 -13.7594 -13.7594 -13.7594 -13.4593 -13.4593 -13.4593 -13.4593 9.9580 9.9580 9.9580 9.9580 14.1811 14.1811 14.1811 14.1811 15.3015 15.3015 15.3015 15.3015 16.3190 16.3190 16.3190 16.3190 k = 0.1842 0.1064 0.3159 ( 1698 PWs) bands (ev): -47.1220 -47.1220 -47.1220 -47.1220 -21.3833 -21.3833 -21.3833 -21.3833 -13.7663 -13.7663 -13.7663 -13.7663 -13.4648 -13.4648 -13.4648 -13.4648 10.0233 10.0233 10.0233 10.0233 14.1439 14.1439 14.1439 14.1439 15.2748 15.2748 15.2748 15.2748 16.3706 16.3706 16.3706 16.3706 k = 0.1930 0.1114 0.3159 ( 1702 PWs) bands (ev): -47.1211 -47.1211 -47.1211 -47.1211 -21.3865 -21.3865 -21.3865 -21.3865 -13.7735 -13.7735 -13.7735 -13.7735 -13.4703 -13.4703 -13.4703 -13.4703 10.0897 10.0897 10.0897 10.0897 14.1075 14.1075 14.1075 14.1075 15.2485 15.2485 15.2485 15.2485 16.4232 16.4232 16.4232 16.4232 k = 0.2018 0.1165 0.3159 ( 1702 PWs) bands (ev): -47.1202 -47.1202 -47.1202 -47.1202 -21.3897 -21.3897 -21.3897 -21.3897 -13.7810 -13.7810 -13.7810 -13.7810 -13.4756 -13.4756 -13.4756 -13.4756 10.1567 10.1567 10.1567 10.1567 14.0721 14.0721 14.0721 14.0721 15.2231 15.2231 15.2231 15.2231 16.4764 16.4764 16.4764 16.4764 k = 0.2105 0.1215 0.3159 ( 1698 PWs) bands (ev): -47.1192 -47.1192 -47.1192 -47.1192 -21.3929 -21.3929 -21.3929 -21.3929 -13.7888 -13.7888 -13.7888 -13.7888 -13.4807 -13.4807 -13.4807 -13.4807 10.2239 10.2239 10.2239 10.2239 14.0379 14.0379 14.0379 14.0379 15.1988 15.1988 15.1988 15.1988 16.5299 16.5299 16.5299 16.5299 k = 0.2193 0.1266 0.3159 ( 1698 PWs) bands (ev): -47.1183 -47.1183 -47.1183 -47.1183 -21.3962 -21.3962 -21.3962 -21.3962 -13.7970 -13.7970 -13.7970 -13.7970 -13.4857 -13.4857 -13.4857 -13.4857 10.2911 10.2911 10.2911 10.2911 14.0051 14.0051 14.0051 14.0051 15.1759 15.1759 15.1759 15.1759 16.5832 16.5832 16.5832 16.5832 k = 0.2281 0.1317 0.3159 ( 1692 PWs) bands (ev): -47.1173 -47.1173 -47.1173 -47.1173 -21.3994 -21.3994 -21.3994 -21.3994 -13.8054 -13.8054 -13.8054 -13.8054 -13.4905 -13.4905 -13.4905 -13.4905 10.3578 10.3578 10.3578 10.3578 13.9738 13.9738 13.9738 13.9738 15.1549 15.1549 15.1549 15.1549 16.6362 16.6362 16.6362 16.6362 k = 0.2368 0.1367 0.3159 ( 1690 PWs) bands (ev): -47.1163 -47.1163 -47.1163 -47.1163 -21.4028 -21.4028 -21.4028 -21.4028 -13.8141 -13.8141 -13.8141 -13.8141 -13.4950 -13.4950 -13.4950 -13.4950 10.4236 10.4236 10.4236 10.4236 13.9442 13.9442 13.9442 13.9442 15.1360 15.1360 15.1360 15.1360 16.6882 16.6882 16.6882 16.6882 k = 0.2456 0.1418 0.3159 ( 1690 PWs) bands (ev): -47.1153 -47.1153 -47.1153 -47.1153 -21.4062 -21.4062 -21.4062 -21.4062 -13.8230 -13.8230 -13.8230 -13.8230 -13.4995 -13.4995 -13.4995 -13.4995 10.4882 10.4882 10.4882 10.4882 13.9163 13.9163 13.9163 13.9163 15.1196 15.1196 15.1196 15.1196 16.7391 16.7391 16.7391 16.7391 k = 0.2544 0.1469 0.3159 ( 1690 PWs) bands (ev): -47.1143 -47.1143 -47.1143 -47.1143 -21.4096 -21.4096 -21.4096 -21.4096 -13.8320 -13.8320 -13.8320 -13.8320 -13.5037 -13.5037 -13.5037 -13.5037 10.5512 10.5512 10.5512 10.5512 13.8902 13.8902 13.8902 13.8902 15.1059 15.1059 15.1059 15.1059 16.7883 16.7883 16.7883 16.7883 k = 0.2632 0.1519 0.3159 ( 1690 PWs) bands (ev): -47.1133 -47.1133 -47.1133 -47.1133 -21.4130 -21.4130 -21.4130 -21.4130 -13.8413 -13.8413 -13.8413 -13.8413 -13.5077 -13.5077 -13.5077 -13.5077 10.6121 10.6121 10.6121 10.6121 13.8660 13.8660 13.8660 13.8660 15.0954 15.0954 15.0954 15.0954 16.8356 16.8356 16.8356 16.8356 k = 0.2719 0.1570 0.3159 ( 1690 PWs) bands (ev): -47.1123 -47.1123 -47.1123 -47.1123 -21.4164 -21.4164 -21.4164 -21.4164 -13.8506 -13.8506 -13.8506 -13.8506 -13.5115 -13.5115 -13.5115 -13.5115 10.6707 10.6707 10.6707 10.6707 13.8436 13.8436 13.8436 13.8436 15.0882 15.0882 15.0882 15.0882 16.8807 16.8807 16.8807 16.8807 k = 0.2807 0.1621 0.3159 ( 1694 PWs) bands (ev): -47.1114 -47.1114 -47.1114 -47.1114 -21.4199 -21.4199 -21.4199 -21.4199 -13.8600 -13.8600 -13.8600 -13.8600 -13.5151 -13.5151 -13.5151 -13.5151 10.7266 10.7266 10.7266 10.7266 13.8230 13.8230 13.8230 13.8230 15.0847 15.0847 15.0847 15.0847 16.9232 16.9232 16.9232 16.9232 k = 0.2895 0.1671 0.3159 ( 1692 PWs) bands (ev): -47.1104 -47.1104 -47.1104 -47.1104 -21.4232 -21.4232 -21.4232 -21.4232 -13.8694 -13.8694 -13.8694 -13.8694 -13.5184 -13.5184 -13.5184 -13.5184 10.7796 10.7796 10.7796 10.7796 13.8042 13.8042 13.8042 13.8042 15.0850 15.0850 15.0850 15.0850 16.9630 16.9630 16.9630 16.9630 k = 0.2982 0.1722 0.3159 ( 1692 PWs) bands (ev): -47.1094 -47.1094 -47.1094 -47.1094 -21.4265 -21.4265 -21.4265 -21.4265 -13.8788 -13.8788 -13.8788 -13.8788 -13.5216 -13.5216 -13.5216 -13.5216 10.8294 10.8294 10.8294 10.8294 13.7869 13.7869 13.7869 13.7869 15.0894 15.0894 15.0894 15.0894 16.9999 16.9999 16.9999 16.9999 k = 0.3070 0.1773 0.3159 ( 1688 PWs) bands (ev): -47.1085 -47.1085 -47.1085 -47.1085 -21.4297 -21.4297 -21.4297 -21.4297 -13.8881 -13.8881 -13.8881 -13.8881 -13.5245 -13.5245 -13.5245 -13.5245 10.8758 10.8758 10.8758 10.8758 13.7712 13.7712 13.7712 13.7712 15.0979 15.0979 15.0979 15.0979 17.0338 17.0338 17.0338 17.0338 k = 0.3158 0.1823 0.3159 ( 1688 PWs) bands (ev): -47.1076 -47.1076 -47.1076 -47.1076 -21.4328 -21.4328 -21.4328 -21.4328 -13.8973 -13.8973 -13.8973 -13.8973 -13.5273 -13.5273 -13.5273 -13.5273 10.9187 10.9187 10.9187 10.9187 13.7567 13.7567 13.7567 13.7567 15.1106 15.1106 15.1106 15.1106 17.0647 17.0647 17.0647 17.0647 k = 0.3246 0.1874 0.3159 ( 1692 PWs) bands (ev): -47.1067 -47.1067 -47.1067 -47.1067 -21.4360 -21.4360 -21.4360 -21.4360 -13.9065 -13.9065 -13.9065 -13.9065 -13.5299 -13.5299 -13.5299 -13.5299 10.9580 10.9580 10.9580 10.9580 13.7435 13.7435 13.7435 13.7435 15.1275 15.1275 15.1275 15.1275 17.0926 17.0926 17.0926 17.0926 k = 0.3333 0.1925 0.3159 ( 1692 PWs) bands (ev): -47.1058 -47.1058 -47.1058 -47.1058 -21.4390 -21.4390 -21.4390 -21.4390 -13.9153 -13.9153 -13.9153 -13.9153 -13.5324 -13.5324 -13.5324 -13.5324 10.9937 10.9937 10.9937 10.9937 13.7312 13.7312 13.7312 13.7312 15.1483 15.1483 15.1483 15.1483 17.1175 17.1175 17.1175 17.1175 k = 0.3421 0.1975 0.3159 ( 1692 PWs) bands (ev): -47.1049 -47.1049 -47.1049 -47.1049 -21.4420 -21.4420 -21.4420 -21.4420 -13.9240 -13.9240 -13.9240 -13.9240 -13.5347 -13.5347 -13.5347 -13.5347 11.0259 11.0259 11.0259 11.0259 13.7199 13.7199 13.7199 13.7199 15.1728 15.1728 15.1728 15.1728 17.1396 17.1396 17.1396 17.1396 k = 0.3509 0.2026 0.3159 ( 1688 PWs) bands (ev): -47.1041 -47.1041 -47.1041 -47.1041 -21.4447 -21.4447 -21.4447 -21.4447 -13.9324 -13.9324 -13.9324 -13.9324 -13.5367 -13.5367 -13.5367 -13.5367 11.0547 11.0547 11.0547 11.0547 13.7092 13.7092 13.7092 13.7092 15.2008 15.2008 15.2008 15.2008 17.1591 17.1591 17.1591 17.1591 k = 0.3596 0.2076 0.3159 ( 1696 PWs) bands (ev): -47.1033 -47.1033 -47.1033 -47.1033 -21.4476 -21.4476 -21.4476 -21.4476 -13.9406 -13.9406 -13.9406 -13.9406 -13.5387 -13.5387 -13.5387 -13.5387 11.0801 11.0801 11.0801 11.0801 13.6993 13.6993 13.6993 13.6993 15.2317 15.2317 15.2317 15.2317 17.1761 17.1761 17.1761 17.1761 k = 0.3684 0.2127 0.3159 ( 1696 PWs) bands (ev): -47.1026 -47.1026 -47.1026 -47.1026 -21.4502 -21.4502 -21.4502 -21.4502 -13.9484 -13.9484 -13.9484 -13.9484 -13.5405 -13.5405 -13.5405 -13.5405 11.1025 11.1025 11.1025 11.1025 13.6898 13.6898 13.6898 13.6898 15.2651 15.2651 15.2651 15.2651 17.1908 17.1908 17.1908 17.1908 k = 0.3772 0.2178 0.3159 ( 1696 PWs) bands (ev): -47.1019 -47.1019 -47.1019 -47.1019 -21.4527 -21.4527 -21.4527 -21.4527 -13.9559 -13.9559 -13.9559 -13.9559 -13.5422 -13.5422 -13.5422 -13.5422 11.1219 11.1219 11.1219 11.1219 13.6809 13.6809 13.6809 13.6809 15.3004 15.3004 15.3004 15.3004 17.2035 17.2035 17.2035 17.2035 k = 0.3860 0.2228 0.3159 ( 1700 PWs) bands (ev): -47.1012 -47.1012 -47.1012 -47.1012 -21.4551 -21.4551 -21.4551 -21.4551 -13.9630 -13.9630 -13.9630 -13.9630 -13.5438 -13.5438 -13.5438 -13.5438 11.1387 11.1387 11.1387 11.1387 13.6725 13.6725 13.6725 13.6725 15.3370 15.3370 15.3370 15.3370 17.2143 17.2143 17.2143 17.2143 k = 0.3947 0.2279 0.3159 ( 1710 PWs) bands (ev): -47.1006 -47.1006 -47.1006 -47.1006 -21.4574 -21.4574 -21.4574 -21.4574 -13.9697 -13.9697 -13.9697 -13.9697 -13.5452 -13.5452 -13.5452 -13.5452 11.1530 11.1530 11.1530 11.1530 13.6645 13.6645 13.6645 13.6645 15.3742 15.3742 15.3742 15.3742 17.2235 17.2235 17.2235 17.2235 k = 0.4035 0.2330 0.3159 ( 1710 PWs) bands (ev): -47.1000 -47.1000 -47.1000 -47.1000 -21.4595 -21.4595 -21.4595 -21.4595 -13.9759 -13.9759 -13.9759 -13.9759 -13.5465 -13.5465 -13.5465 -13.5465 11.1651 11.1651 11.1651 11.1651 13.6569 13.6569 13.6569 13.6569 15.4113 15.4113 15.4113 15.4113 17.2313 17.2313 17.2313 17.2313 k = 0.4123 0.2380 0.3159 ( 1710 PWs) bands (ev): -47.0995 -47.0995 -47.0995 -47.0995 -21.4614 -21.4614 -21.4614 -21.4614 -13.9817 -13.9817 -13.9817 -13.9817 -13.5476 -13.5476 -13.5476 -13.5476 11.1753 11.1753 11.1753 11.1753 13.6499 13.6499 13.6499 13.6499 15.4477 15.4477 15.4477 15.4477 17.2378 17.2378 17.2378 17.2378 k = 0.4211 0.2431 0.3159 ( 1704 PWs) bands (ev): -47.0989 -47.0989 -47.0989 -47.0989 -21.4630 -21.4630 -21.4630 -21.4630 -13.9869 -13.9869 -13.9869 -13.9869 -13.5486 -13.5486 -13.5486 -13.5486 11.1838 11.1838 11.1838 11.1838 13.6434 13.6434 13.6434 13.6434 15.4828 15.4828 15.4828 15.4828 17.2432 17.2432 17.2432 17.2432 k = 0.4298 0.2482 0.3159 ( 1704 PWs) bands (ev): -47.0985 -47.0985 -47.0985 -47.0985 -21.4646 -21.4646 -21.4646 -21.4646 -13.9916 -13.9916 -13.9916 -13.9916 -13.5495 -13.5495 -13.5495 -13.5495 11.1907 11.1907 11.1907 11.1907 13.6374 13.6374 13.6374 13.6374 15.5159 15.5159 15.5159 15.5159 17.2477 17.2477 17.2477 17.2477 k = 0.4386 0.2532 0.3159 ( 1704 PWs) bands (ev): -47.0981 -47.0981 -47.0981 -47.0981 -21.4660 -21.4660 -21.4660 -21.4660 -13.9959 -13.9959 -13.9959 -13.9959 -13.5503 -13.5503 -13.5503 -13.5503 11.1964 11.1964 11.1964 11.1964 13.6320 13.6320 13.6320 13.6320 15.5465 15.5465 15.5465 15.5465 17.2513 17.2513 17.2513 17.2513 k = 0.4474 0.2583 0.3159 ( 1698 PWs) bands (ev): -47.0977 -47.0977 -47.0977 -47.0977 -21.4671 -21.4671 -21.4671 -21.4671 -13.9995 -13.9995 -13.9995 -13.9995 -13.5510 -13.5510 -13.5510 -13.5510 11.2009 11.2009 11.2009 11.2009 13.6273 13.6273 13.6273 13.6273 15.5741 15.5741 15.5741 15.5741 17.2543 17.2543 17.2543 17.2543 k = 0.4561 0.2634 0.3159 ( 1702 PWs) bands (ev): -47.0974 -47.0974 -47.0974 -47.0974 -21.4682 -21.4682 -21.4682 -21.4682 -14.0027 -14.0027 -14.0027 -14.0027 -13.5516 -13.5516 -13.5516 -13.5516 11.2044 11.2044 11.2044 11.2044 13.6232 13.6232 13.6232 13.6232 15.5981 15.5981 15.5981 15.5981 17.2566 17.2566 17.2566 17.2566 k = 0.4649 0.2684 0.3159 ( 1702 PWs) bands (ev): -47.0972 -47.0972 -47.0972 -47.0972 -21.4690 -21.4690 -21.4690 -21.4690 -14.0053 -14.0053 -14.0053 -14.0053 -13.5521 -13.5521 -13.5521 -13.5521 11.2072 11.2072 11.2072 11.2072 13.6198 13.6198 13.6198 13.6198 15.6183 15.6183 15.6183 15.6183 17.2584 17.2584 17.2584 17.2584 k = 0.4737 0.2735 0.3159 ( 1698 PWs) bands (ev): -47.0970 -47.0970 -47.0970 -47.0970 -21.4697 -21.4697 -21.4697 -21.4697 -14.0072 -14.0072 -14.0072 -14.0072 -13.5524 -13.5524 -13.5524 -13.5524 11.2092 11.2092 11.2092 11.2092 13.6171 13.6171 13.6171 13.6171 15.6344 15.6344 15.6344 15.6344 17.2598 17.2598 17.2598 17.2598 k = 0.4825 0.2785 0.3159 ( 1698 PWs) bands (ev): -47.0969 -47.0969 -47.0969 -47.0969 -21.4701 -21.4701 -21.4701 -21.4701 -14.0087 -14.0087 -14.0087 -14.0087 -13.5527 -13.5527 -13.5527 -13.5527 11.2105 11.2105 11.2105 11.2105 13.6152 13.6152 13.6152 13.6152 15.6460 15.6460 15.6460 15.6460 17.2607 17.2607 17.2607 17.2607 k = 0.4912 0.2836 0.3159 ( 1698 PWs) bands (ev): -47.0968 -47.0968 -47.0968 -47.0968 -21.4704 -21.4704 -21.4704 -21.4704 -14.0096 -14.0096 -14.0096 -14.0096 -13.5528 -13.5528 -13.5528 -13.5528 11.2113 11.2113 11.2113 11.2113 13.6140 13.6140 13.6140 13.6140 15.6530 15.6530 15.6530 15.6530 17.2613 17.2613 17.2613 17.2613 k = 0.5000 0.2887 0.3159 ( 1692 PWs) bands (ev): -47.0967 -47.0967 -47.0967 -47.0967 -21.4704 -21.4704 -21.4704 -21.4704 -14.0098 -14.0098 -14.0098 -14.0098 -13.5528 -13.5528 -13.5528 -13.5528 11.2116 11.2116 11.2116 11.2116 13.6136 13.6136 13.6136 13.6136 15.6554 15.6554 15.6554 15.6554 17.2614 17.2614 17.2614 17.2614 k = 0.5000 0.2887 0.3159 ( 1692 PWs) bands (ev): -47.0967 -47.0967 -47.0967 -47.0967 -21.4704 -21.4704 -21.4704 -21.4704 -14.0098 -14.0098 -14.0098 -14.0098 -13.5528 -13.5528 -13.5528 -13.5528 11.2116 11.2116 11.2116 11.2116 13.6136 13.6136 13.6136 13.6136 15.6554 15.6554 15.6554 15.6554 17.2614 17.2614 17.2614 17.2614 k = 0.4949 0.2974 0.3159 ( 1700 PWs) bands (ev): -47.0967 -47.0967 -47.0967 -47.0967 -21.4707 -21.4707 -21.4705 -21.4705 -14.0134 -14.0134 -14.0062 -14.0062 -13.5567 -13.5567 -13.5495 -13.5495 11.2114 11.2114 11.2162 11.2162 13.6114 13.6114 13.6182 13.6182 15.6349 15.6349 15.6631 15.6631 17.2417 17.2417 17.2851 17.2851 k = 0.4899 0.3062 0.3159 ( 1700 PWs) bands (ev): -47.0967 -47.0967 -47.0967 -47.0967 -21.4708 -21.4708 -21.4705 -21.4705 -14.0168 -14.0168 -14.0025 -14.0025 -13.5609 -13.5609 -13.5465 -13.5465 11.2156 11.2156 11.2251 11.2251 13.6116 13.6116 13.6251 13.6251 15.6025 15.6025 15.6576 15.6576 17.2263 17.2263 17.3117 17.3117 k = 0.4848 0.3149 0.3159 ( 1700 PWs) bands (ev): -47.0967 -47.0967 -47.0967 -47.0967 -21.4710 -21.4710 -21.4705 -21.4705 -14.0201 -14.0201 -13.9986 -13.9986 -13.5655 -13.5655 -13.5439 -13.5439 11.2241 11.2241 11.2385 11.2385 13.6141 13.6141 13.6344 13.6344 15.5594 15.5594 15.6390 15.6390 17.2153 17.2153 17.3399 17.3399 k = 0.4798 0.3237 0.3159 ( 1700 PWs) bands (ev): -47.0966 -47.0966 -47.0966 -47.0966 -21.4713 -21.4713 -21.4706 -21.4706 -14.0233 -14.0233 -13.9946 -13.9946 -13.5704 -13.5704 -13.5417 -13.5417 11.2369 11.2369 11.2561 11.2561 13.6189 13.6189 13.6460 13.6460 15.5068 15.5068 15.6078 15.6078 17.2080 17.2080 17.3683 17.3683 k = 0.4747 0.3324 0.3159 ( 1696 PWs) bands (ev): -47.0965 -47.0965 -47.0965 -47.0965 -21.4716 -21.4716 -21.4707 -21.4707 -14.0264 -14.0264 -13.9905 -13.9905 -13.5758 -13.5758 -13.5398 -13.5398 11.2540 11.2540 11.2780 11.2780 13.6261 13.6261 13.6598 13.6598 15.4462 15.4462 15.5650 15.5650 17.2037 17.2037 17.3955 17.3955 k = 0.4697 0.3412 0.3159 ( 1696 PWs) bands (ev): -47.0964 -47.0964 -47.0964 -47.0964 -21.4719 -21.4719 -21.4709 -21.4709 -14.0294 -14.0294 -13.9863 -13.9863 -13.5815 -13.5815 -13.5384 -13.5384 11.2753 11.2753 11.3042 11.3042 13.6354 13.6354 13.6757 13.6757 15.3788 15.3788 15.5120 15.5120 17.2011 17.2011 17.4202 17.4202 k = 0.4646 0.3499 0.3159 ( 1704 PWs) bands (ev): -47.0963 -47.0963 -47.0963 -47.0963 -21.4725 -21.4725 -21.4713 -21.4713 -14.0324 -14.0324 -13.9820 -13.9820 -13.5878 -13.5878 -13.5373 -13.5373 11.3006 11.3006 11.3345 11.3345 13.6468 13.6468 13.6936 13.6936 15.3059 15.3059 15.4501 15.4501 17.1991 17.1991 17.4411 17.4411 k = 0.4596 0.3587 0.3159 ( 1704 PWs) bands (ev): -47.0962 -47.0962 -47.0962 -47.0962 -21.4730 -21.4730 -21.4716 -21.4716 -14.0352 -14.0352 -13.9775 -13.9775 -13.5943 -13.5943 -13.5365 -13.5365 11.3300 11.3300 11.3688 11.3688 13.6603 13.6603 13.7133 13.7133 15.2286 15.2286 15.3807 15.3807 17.1964 17.1964 17.4574 17.4574 k = 0.4545 0.3674 0.3159 ( 1704 PWs) bands (ev): -47.0961 -47.0961 -47.0961 -47.0961 -21.4735 -21.4735 -21.4720 -21.4720 -14.0380 -14.0380 -13.9729 -13.9729 -13.6011 -13.6011 -13.5360 -13.5360 11.3632 11.3632 11.4070 11.4070 13.6756 13.6756 13.7346 13.7346 15.1480 15.1480 15.3053 15.3053 17.1922 17.1922 17.4684 17.4684 k = 0.4495 0.3762 0.3159 ( 1708 PWs) bands (ev): -47.0959 -47.0959 -47.0959 -47.0959 -21.4741 -21.4741 -21.4724 -21.4724 -14.0406 -14.0406 -13.9682 -13.9682 -13.6083 -13.6083 -13.5358 -13.5358 11.4001 11.4001 11.4490 11.4490 13.6927 13.6927 13.7571 13.7571 15.0651 15.0651 15.2249 15.2249 17.1859 17.1859 17.4739 17.4739 k = 0.4444 0.3849 0.3159 ( 1710 PWs) bands (ev): -47.0958 -47.0958 -47.0958 -47.0958 -21.4747 -21.4747 -21.4729 -21.4729 -14.0432 -14.0432 -13.9634 -13.9634 -13.6158 -13.6158 -13.5358 -13.5358 11.4407 11.4407 11.4947 11.4947 13.7113 13.7113 13.7806 13.7806 14.9807 14.9807 15.1406 15.1406 17.1770 17.1770 17.4737 17.4737 k = 0.4394 0.3936 0.3159 ( 1706 PWs) bands (ev): -47.0956 -47.0956 -47.0956 -47.0956 -21.4752 -21.4752 -21.4733 -21.4733 -14.0457 -14.0457 -13.9585 -13.9585 -13.6234 -13.6234 -13.5361 -13.5361 11.4848 11.4848 11.5440 11.5440 13.7311 13.7311 13.8044 13.8044 14.8960 14.8960 15.0536 15.0536 17.1655 17.1655 17.4682 17.4682 k = 0.4343 0.4024 0.3159 ( 1706 PWs) bands (ev): -47.0954 -47.0954 -47.0954 -47.0954 -21.4758 -21.4758 -21.4738 -21.4738 -14.0481 -14.0481 -13.9534 -13.9534 -13.6314 -13.6314 -13.5365 -13.5365 11.5321 11.5321 11.5965 11.5965 13.7520 13.7520 13.8278 13.8278 14.8119 14.8119 14.9645 14.9645 17.1514 17.1514 17.4578 17.4578 k = 0.4293 0.4111 0.3159 ( 1710 PWs) bands (ev): -47.0952 -47.0952 -47.0952 -47.0952 -21.4766 -21.4766 -21.4744 -21.4744 -14.0506 -14.0506 -13.9483 -13.9483 -13.6396 -13.6396 -13.5372 -13.5372 11.5826 11.5826 11.6522 11.6522 13.7736 13.7736 13.8497 13.8497 14.7298 14.7298 14.8743 14.8743 17.1351 17.1351 17.4431 17.4431 k = 0.4242 0.4199 0.3159 ( 1710 PWs) bands (ev): -47.0950 -47.0950 -47.0950 -47.0950 -21.4772 -21.4772 -21.4749 -21.4749 -14.0529 -14.0529 -13.9431 -13.9431 -13.6479 -13.6479 -13.5380 -13.5380 11.6360 11.6360 11.7109 11.7109 13.7953 13.7953 13.8687 13.8687 14.6513 14.6513 14.7837 14.7837 17.1169 17.1169 17.4250 17.4250 k = 0.4192 0.4286 0.3159 ( 1702 PWs) bands (ev): -47.0948 -47.0948 -47.0948 -47.0948 -21.4778 -21.4778 -21.4753 -21.4753 -14.0550 -14.0550 -13.9377 -13.9377 -13.6564 -13.6564 -13.5389 -13.5389 11.6922 11.6922 11.7724 11.7724 13.8166 13.8166 13.8827 13.8827 14.5785 14.5785 14.6935 14.6935 17.0976 17.0976 17.4042 17.4042 k = 0.4141 0.4374 0.3159 ( 1702 PWs) bands (ev): -47.0946 -47.0946 -47.0946 -47.0946 -21.4785 -21.4785 -21.4759 -21.4759 -14.0572 -14.0572 -13.9323 -13.9323 -13.6650 -13.6650 -13.5399 -13.5399 11.7509 11.7509 11.8364 11.8364 13.8368 13.8368 13.8889 13.8889 14.5143 14.5143 14.6048 14.6048 17.0776 17.0776 17.3818 17.3818 k = 0.4091 0.4461 0.3159 ( 1702 PWs) bands (ev): -47.0943 -47.0943 -47.0943 -47.0943 -21.4792 -21.4792 -21.4765 -21.4765 -14.0593 -14.0593 -13.9269 -13.9269 -13.6736 -13.6736 -13.5410 -13.5410 11.8120 11.8120 11.9027 11.9027 13.8545 13.8545 13.8838 13.8838 14.4620 14.4620 14.5187 14.5187 17.0576 17.0576 17.3585 17.3585 k = 0.4040 0.4549 0.3159 ( 1698 PWs) bands (ev): -47.0941 -47.0941 -47.0941 -47.0941 -21.4798 -21.4798 -21.4770 -21.4770 -14.0613 -14.0613 -13.9213 -13.9213 -13.6823 -13.6823 -13.5422 -13.5422 11.8753 11.8753 11.9711 11.9711 13.8645 13.8645 13.8683 13.8683 14.4244 14.4244 14.4368 14.4368 17.0382 17.0382 17.3353 17.3353 k = 0.3990 0.4636 0.3159 ( 1690 PWs) bands (ev): -47.0939 -47.0939 -47.0939 -47.0939 -21.4804 -21.4804 -21.4775 -21.4775 -14.0632 -14.0632 -13.9157 -13.9157 -13.6909 -13.6909 -13.5433 -13.5433 11.9406 11.9406 12.0414 12.0414 13.8296 13.8296 13.8754 13.8754 14.3618 14.3618 14.4027 14.4027 17.0200 17.0200 17.3130 17.3130 k = 0.3939 0.4724 0.3159 ( 1702 PWs) bands (ev): -47.0937 -47.0937 -47.0937 -47.0937 -21.4813 -21.4813 -21.4783 -21.4783 -14.0652 -14.0652 -13.9104 -13.9104 -13.6996 -13.6996 -13.5446 -13.5446 12.0076 12.0076 12.1132 12.1132 13.7806 13.7806 13.8724 13.8724 14.2970 14.2970 14.3952 14.3952 17.0035 17.0035 17.2924 17.2924 k = 0.3889 0.4811 0.3159 ( 1706 PWs) bands (ev): -47.0935 -47.0935 -47.0935 -47.0935 -21.4820 -21.4820 -21.4789 -21.4789 -14.0671 -14.0671 -13.9050 -13.9050 -13.7080 -13.7080 -13.5458 -13.5458 12.0761 12.0761 12.1864 12.1864 13.7205 13.7205 13.8549 13.8549 14.2468 14.2468 14.3985 14.3985 16.9893 16.9893 17.2740 17.2740 k = 0.3838 0.4899 0.3159 ( 1706 PWs) bands (ev): -47.0933 -47.0933 -47.0933 -47.0933 -21.4826 -21.4826 -21.4795 -21.4795 -14.0688 -14.0688 -13.8996 -13.8996 -13.7164 -13.7164 -13.5470 -13.5470 12.1459 12.1459 12.2605 12.2605 13.6528 13.6528 13.8202 13.8202 14.2137 14.2137 14.4090 14.4090 16.9775 16.9775 17.2584 17.2584 k = 0.3788 0.4986 0.3159 ( 1702 PWs) bands (ev): -47.0931 -47.0931 -47.0931 -47.0931 -21.4831 -21.4831 -21.4800 -21.4800 -14.0704 -14.0703 -13.8942 -13.8942 -13.7243 -13.7243 -13.5480 -13.5480 12.2168 12.2168 12.3353 12.3353 13.5802 13.5802 13.7699 13.7699 14.1962 14.1962 14.4237 14.4237 16.9685 16.9685 17.2459 17.2459 k = 0.3737 0.5074 0.3159 ( 1696 PWs) bands (ev): -47.0930 -47.0930 -47.0930 -47.0930 -21.4836 -21.4836 -21.4804 -21.4804 -14.0718 -14.0718 -13.8890 -13.8890 -13.7319 -13.7319 -13.5490 -13.5490 12.2886 12.2886 12.4103 12.4103 13.5048 13.5048 13.7084 13.7084 14.1898 14.1898 14.4401 14.4401 16.9624 16.9624 17.2368 17.2368 k = 0.3687 0.5161 0.3159 ( 1688 PWs) bands (ev): -47.0928 -47.0928 -47.0928 -47.0928 -21.4840 -21.4840 -21.4807 -21.4807 -14.0731 -14.0731 -13.8840 -13.8840 -13.7390 -13.7390 -13.5498 -13.5498 12.3610 12.3610 12.4852 12.4852 13.4280 13.4280 13.6403 13.6403 14.1899 14.1899 14.4567 14.4567 16.9590 16.9590 17.2309 17.2309 k = 0.3636 0.5249 0.3159 ( 1688 PWs) bands (ev): -47.0927 -47.0927 -47.0927 -47.0927 -21.4845 -21.4845 -21.4811 -21.4811 -14.0743 -14.0743 -13.8794 -13.8794 -13.7457 -13.7457 -13.5507 -13.5507 12.4336 12.4336 12.5592 12.5592 13.3507 13.3507 13.5695 13.5695 14.1932 14.1932 14.4724 14.4724 16.9581 16.9581 17.2283 17.2283 k = 0.3586 0.5336 0.3159 ( 1688 PWs) bands (ev): -47.0925 -47.0925 -47.0925 -47.0925 -21.4849 -21.4849 -21.4815 -21.4815 -14.0754 -14.0754 -13.8752 -13.8752 -13.7517 -13.7517 -13.5514 -13.5514 12.5062 12.5062 12.6316 12.6316 13.2740 13.2740 13.4985 13.4985 14.1976 14.1976 14.4863 14.4863 16.9592 16.9592 17.2283 17.2283 k = 0.3535 0.5424 0.3159 ( 1696 PWs) bands (ev): -47.0924 -47.0924 -47.0924 -47.0924 -21.4854 -21.4854 -21.4820 -21.4820 -14.0764 -14.0764 -13.8717 -13.8717 -13.7570 -13.7570 -13.5521 -13.5521 12.5783 12.5783 12.7010 12.7010 13.1984 13.1984 13.4296 13.4296 14.2019 14.2019 14.4980 14.4980 16.9620 16.9620 17.2304 17.2304 k = 0.3485 0.5511 0.3159 ( 1696 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4857 -21.4857 -21.4822 -21.4822 -14.0772 -14.0772 -13.8686 -13.8686 -13.7613 -13.7613 -13.5526 -13.5526 12.6490 12.6490 12.7653 12.7653 13.1250 13.1250 13.3656 13.3656 14.2054 14.2054 14.5071 14.5071 16.9655 16.9655 17.2338 17.2338 k = 0.3434 0.5599 0.3159 ( 1696 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4859 -21.4859 -21.4824 -21.4824 -14.0777 -14.0777 -13.8664 -13.8664 -13.7644 -13.7644 -13.5529 -13.5529 12.7163 12.7163 12.8206 12.8206 13.0558 13.0558 13.3105 13.3105 14.2079 14.2079 14.5135 14.5135 16.9691 16.9691 17.2375 17.2375 k = 0.3384 0.5686 0.3159 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4824 -21.4824 -14.0779 -14.0779 -13.8649 -13.8649 -13.7663 -13.7663 -13.5531 -13.5531 12.7742 12.7742 12.8600 12.8600 12.9968 12.9968 13.2714 13.2714 14.2093 14.2093 14.5173 14.5173 16.9718 16.9718 17.2405 17.2405 k = 0.3333 0.5774 0.3159 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4824 -21.4824 -14.0780 -14.0780 -13.8645 -13.8645 -13.7669 -13.7669 -13.5531 -13.5531 12.8016 12.8016 12.8746 12.8746 12.9691 12.9691 13.2569 13.2569 14.2097 14.2097 14.5185 14.5185 16.9729 16.9729 17.2417 17.2417 k = 0.3333 0.5774 0.3159 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4824 -21.4824 -14.0780 -14.0780 -13.8645 -13.8645 -13.7669 -13.7669 -13.5531 -13.5531 12.8016 12.8016 12.8746 12.8746 12.9691 12.9691 13.2569 13.2569 14.2097 14.2097 14.5185 14.5185 16.9729 16.9729 17.2417 17.2417 k = 0.3283 0.5686 0.3159 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4825 -21.4825 -14.0780 -14.0780 -13.8650 -13.8650 -13.7663 -13.7663 -13.5531 -13.5531 12.7749 12.7749 12.8605 12.8605 12.9961 12.9961 13.2708 13.2708 14.2094 14.2094 14.5173 14.5173 16.9716 16.9716 17.2402 17.2402 k = 0.3232 0.5599 0.3159 ( 1696 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4859 -21.4859 -21.4824 -21.4824 -14.0777 -14.0777 -13.8662 -13.8662 -13.7646 -13.7646 -13.5529 -13.5529 12.7199 12.7199 12.8238 12.8238 13.0518 13.0518 13.3066 13.3066 14.2088 14.2088 14.5142 14.5142 16.9672 16.9672 17.2352 17.2352 k = 0.3182 0.5511 0.3159 ( 1692 PWs) bands (ev): -47.0924 -47.0924 -47.0924 -47.0924 -21.4856 -21.4856 -21.4821 -21.4821 -14.0769 -14.0769 -13.8679 -13.8679 -13.7618 -13.7618 -13.5526 -13.5526 12.6576 12.6576 12.7740 12.7740 13.1151 13.1151 13.3544 13.3544 14.2084 14.2084 14.5092 14.5092 16.9594 16.9594 17.2262 17.2262 k = 0.3131 0.5424 0.3159 ( 1686 PWs) bands (ev): -47.0924 -47.0924 -47.0924 -47.0924 -21.4851 -21.4851 -21.4817 -21.4817 -14.0759 -14.0759 -13.8700 -13.8700 -13.7581 -13.7581 -13.5520 -13.5520 12.5937 12.5937 12.7176 12.7176 13.1801 13.1801 13.4071 13.4071 14.2087 14.2087 14.5029 14.5029 16.9479 16.9479 17.2130 17.2130 k = 0.3081 0.5336 0.3159 ( 1682 PWs) bands (ev): -47.0926 -47.0926 -47.0926 -47.0926 -21.4846 -21.4846 -21.4812 -21.4812 -14.0746 -14.0746 -13.8724 -13.8724 -13.7537 -13.7537 -13.5513 -13.5513 12.5298 12.5298 12.6580 12.6580 13.2447 13.2447 13.4607 13.4607 14.2106 14.2106 14.4956 14.4956 16.9328 16.9328 17.1957 17.1957 k = 0.3030 0.5249 0.3159 ( 1682 PWs) bands (ev): -47.0927 -47.0927 -47.0927 -47.0927 -21.4840 -21.4840 -21.4807 -21.4807 -14.0731 -14.0731 -13.8750 -13.8750 -13.7488 -13.7488 -13.5505 -13.5505 12.4667 12.4667 12.5970 12.5970 13.3080 13.3080 13.5124 13.5124 14.2147 14.2147 14.4876 14.4876 16.9143 16.9143 17.1745 17.1745 k = 0.2980 0.5161 0.3159 ( 1684 PWs) bands (ev): -47.0930 -47.0930 -47.0930 -47.0930 -21.4834 -21.4834 -21.4800 -21.4800 -14.0711 -14.0711 -13.8775 -13.8775 -13.7435 -13.7435 -13.5497 -13.5497 12.4046 12.4046 12.5357 12.5357 13.3694 13.3694 13.5606 13.5606 14.2219 14.2219 14.4794 14.4794 16.8928 16.8928 17.1501 17.1501 k = 0.2929 0.5074 0.3159 ( 1684 PWs) bands (ev): -47.0932 -47.0932 -47.0932 -47.0932 -21.4825 -21.4825 -21.4793 -21.4793 -14.0689 -14.0689 -13.8799 -13.8799 -13.7378 -13.7378 -13.5487 -13.5487 12.3437 12.3437 12.4745 12.4745 13.4284 13.4284 13.6038 13.6038 14.2330 14.2330 14.4712 14.4712 16.8690 16.8690 17.1232 17.1232 k = 0.2879 0.4986 0.3159 ( 1688 PWs) bands (ev): -47.0935 -47.0935 -47.0935 -47.0935 -21.4817 -21.4817 -21.4784 -21.4784 -14.0663 -14.0663 -13.8821 -13.8821 -13.7319 -13.7319 -13.5476 -13.5476 12.2838 12.2838 12.4137 12.4137 13.4846 13.4846 13.6411 13.6411 14.2485 14.2485 14.4635 14.4635 16.8435 16.8435 17.0944 17.0944 k = 0.2828 0.4899 0.3159 ( 1684 PWs) bands (ev): -47.0938 -47.0938 -47.0938 -47.0938 -21.4805 -21.4805 -21.4774 -21.4774 -14.0632 -14.0632 -13.8840 -13.8840 -13.7257 -13.7257 -13.5463 -13.5463 12.2251 12.2251 12.3535 12.3535 13.5377 13.5377 13.6719 13.6719 14.2688 14.2688 14.4567 14.4567 16.8172 16.8172 17.0648 17.0648 k = 0.2778 0.4811 0.3159 ( 1688 PWs) bands (ev): -47.0941 -47.0941 -47.0941 -47.0941 -21.4794 -21.4794 -21.4763 -21.4763 -14.0599 -14.0599 -13.8856 -13.8856 -13.7194 -13.7194 -13.5450 -13.5450 12.1674 12.1674 12.2938 12.2938 13.5872 13.5872 13.6962 13.6962 14.2937 14.2937 14.4510 14.4510 16.7908 16.7908 17.0352 17.0352 k = 0.2727 0.4724 0.3159 ( 1688 PWs) bands (ev): -47.0945 -47.0945 -47.0945 -47.0945 -21.4781 -21.4781 -21.4750 -21.4750 -14.0561 -14.0561 -13.8868 -13.8868 -13.7130 -13.7130 -13.5435 -13.5435 12.1106 12.1106 12.2347 12.2347 13.6327 13.6327 13.7142 13.7142 14.3225 14.3225 14.4468 14.4468 16.7651 16.7651 17.0062 17.0062 k = 0.2677 0.4636 0.3159 ( 1700 PWs) bands (ev): -47.0950 -47.0950 -47.0950 -47.0950 -21.4768 -21.4768 -21.4739 -21.4739 -14.0520 -14.0520 -13.8878 -13.8878 -13.7065 -13.7065 -13.5421 -13.5421 12.0546 12.0546 12.1761 12.1761 13.6740 13.6740 13.7269 13.7269 14.3545 14.3545 14.4444 14.4444 16.7408 16.7408 16.9787 16.9787 k = 0.2626 0.4549 0.3159 ( 1692 PWs) bands (ev): -47.0954 -47.0954 -47.0954 -47.0954 -21.4751 -21.4751 -21.4722 -21.4722 -14.0473 -14.0473 -13.8881 -13.8881 -13.6998 -13.6998 -13.5404 -13.5404 11.9993 11.9993 12.1179 12.1179 13.7108 13.7108 13.7350 13.7350 14.3886 14.3886 14.4442 14.4442 16.7187 16.7187 16.9534 16.9534 k = 0.2576 0.4461 0.3159 ( 1692 PWs) bands (ev): -47.0959 -47.0959 -47.0959 -47.0959 -21.4734 -21.4734 -21.4706 -21.4706 -14.0423 -14.0423 -13.8881 -13.8881 -13.6931 -13.6931 -13.5388 -13.5388 11.9446 11.9446 12.0600 12.0600 13.7395 13.7395 13.7428 13.7428 14.4238 14.4238 14.4462 14.4462 16.6994 16.6994 16.9307 16.9307 k = 0.2525 0.4374 0.3159 ( 1696 PWs) bands (ev): -47.0965 -47.0965 -47.0965 -47.0965 -21.4716 -21.4716 -21.4689 -21.4689 -14.0370 -14.0370 -13.8877 -13.8877 -13.6865 -13.6865 -13.5370 -13.5370 11.8903 11.8903 12.0022 12.0022 13.7414 13.7414 13.7701 13.7701 14.4507 14.4507 14.4591 14.4591 16.6834 16.6834 16.9111 16.9111 k = 0.2475 0.4286 0.3159 ( 1700 PWs) bands (ev): -47.0971 -47.0971 -47.0971 -47.0971 -21.4697 -21.4697 -21.4671 -21.4671 -14.0312 -14.0312 -13.8870 -13.8870 -13.6797 -13.6797 -13.5352 -13.5352 11.8362 11.8362 11.9445 11.9445 13.7413 13.7413 13.7927 13.7927 14.4576 14.4576 14.4938 14.4938 16.6711 16.6711 16.8950 16.8950 k = 0.2424 0.4199 0.3159 ( 1708 PWs) bands (ev): -47.0977 -47.0977 -47.0977 -47.0977 -21.4678 -21.4678 -21.4652 -21.4652 -14.0251 -14.0251 -13.8858 -13.8858 -13.6730 -13.6730 -13.5335 -13.5335 11.7822 11.7822 11.8866 11.8866 13.7399 13.7399 13.8108 13.8108 14.4670 14.4670 14.5273 14.5273 16.6628 16.6628 16.8824 16.8824 k = 0.2374 0.4111 0.3159 ( 1710 PWs) bands (ev): -47.0983 -47.0983 -47.0983 -47.0983 -21.4656 -21.4656 -21.4631 -21.4631 -14.0185 -14.0185 -13.8841 -13.8841 -13.6661 -13.6661 -13.5315 -13.5315 11.7280 11.7280 11.8284 11.8284 13.7377 13.7377 13.8248 13.8248 14.4786 14.4786 14.5593 14.5593 16.6585 16.6585 16.8734 16.8734 k = 0.2323 0.4024 0.3159 ( 1710 PWs) bands (ev): -47.0990 -47.0990 -47.0990 -47.0990 -21.4632 -21.4632 -21.4609 -21.4609 -14.0115 -14.0115 -13.8819 -13.8819 -13.6593 -13.6593 -13.5295 -13.5295 11.6736 11.6736 11.7697 11.7697 13.7353 13.7353 13.8351 13.8351 14.4925 14.4925 14.5896 14.5896 16.6582 16.6582 16.8680 16.8680 k = 0.2273 0.3936 0.3159 ( 1710 PWs) bands (ev): -47.0997 -47.0997 -47.0997 -47.0997 -21.4608 -21.4608 -21.4585 -21.4585 -14.0041 -14.0041 -13.8793 -13.8793 -13.6524 -13.6524 -13.5274 -13.5274 11.6186 11.6186 11.7104 11.7104 13.7329 13.7329 13.8423 13.8423 14.5082 14.5082 14.6181 14.6181 16.6617 16.6617 16.8659 16.8659 k = 0.2222 0.3849 0.3159 ( 1710 PWs) bands (ev): -47.1005 -47.1005 -47.1005 -47.1005 -21.4582 -21.4582 -21.4560 -21.4560 -13.9964 -13.9964 -13.8764 -13.8764 -13.6455 -13.6455 -13.5253 -13.5253 11.5630 11.5630 11.6503 11.6503 13.7310 13.7310 13.8470 13.8470 14.5257 14.5257 14.6449 14.6449 16.6687 16.6687 16.8668 16.8668 k = 0.2172 0.3762 0.3159 ( 1710 PWs) bands (ev): -47.1012 -47.1012 -47.1012 -47.1012 -21.4555 -21.4555 -21.4534 -21.4534 -13.9883 -13.9883 -13.8730 -13.8730 -13.6386 -13.6386 -13.5231 -13.5231 11.5066 11.5066 11.5893 11.5893 13.7297 13.7297 13.8498 13.8498 14.5447 14.5447 14.6702 14.6702 16.6786 16.6786 16.8701 16.8701 k = 0.2121 0.3674 0.3159 ( 1698 PWs) bands (ev): -47.1020 -47.1020 -47.1020 -47.1020 -21.4525 -21.4525 -21.4505 -21.4505 -13.9797 -13.9797 -13.8691 -13.8691 -13.6315 -13.6315 -13.5207 -13.5207 11.4493 11.4493 11.5273 11.5273 13.7293 13.7293 13.8513 13.8513 14.5651 14.5651 14.6943 14.6943 16.6908 16.6908 16.8753 16.8753 k = 0.2071 0.3587 0.3159 ( 1702 PWs) bands (ev): -47.1029 -47.1029 -47.1029 -47.1029 -21.4497 -21.4497 -21.4478 -21.4478 -13.9710 -13.9710 -13.8651 -13.8651 -13.6246 -13.6246 -13.5185 -13.5185 11.3908 11.3908 11.4642 11.4642 13.7302 13.7302 13.8521 13.8521 14.5868 14.5868 14.7174 14.7174 16.7046 16.7046 16.8817 16.8817 k = 0.2020 0.3499 0.3159 ( 1702 PWs) bands (ev): -47.1037 -47.1037 -47.1037 -47.1037 -21.4468 -21.4468 -21.4449 -21.4449 -13.9620 -13.9620 -13.8607 -13.8607 -13.6176 -13.6176 -13.5161 -13.5161 11.3311 11.3311 11.3998 11.3998 13.7323 13.7323 13.8526 13.8526 14.6097 14.6097 14.7399 14.7399 16.7191 16.7191 16.8885 16.8885 k = 0.1970 0.3412 0.3159 ( 1702 PWs) bands (ev): -47.1046 -47.1046 -47.1046 -47.1046 -21.4437 -21.4437 -21.4420 -21.4420 -13.9527 -13.9527 -13.8559 -13.8559 -13.6106 -13.6106 -13.5137 -13.5137 11.2702 11.2702 11.3342 11.3342 13.7361 13.7361 13.8534 13.8534 14.6339 14.6339 14.7620 14.7620 16.7336 16.7336 16.8949 16.8949 k = 0.1919 0.3324 0.3159 ( 1698 PWs) bands (ev): -47.1055 -47.1055 -47.1055 -47.1055 -21.4405 -21.4405 -21.4389 -21.4389 -13.9431 -13.9431 -13.8509 -13.8509 -13.6036 -13.6036 -13.5112 -13.5112 11.2079 11.2079 11.2673 11.2673 13.7415 13.7415 13.8550 13.8550 14.6592 14.6592 14.7842 14.7842 16.7471 16.7471 16.9000 16.9000 k = 0.1869 0.3237 0.3159 ( 1698 PWs) bands (ev): -47.1064 -47.1064 -47.1064 -47.1064 -21.4373 -21.4373 -21.4358 -21.4358 -13.9334 -13.9334 -13.8457 -13.8457 -13.5965 -13.5965 -13.5087 -13.5087 11.1442 11.1442 11.1992 11.1992 13.7488 13.7488 13.8576 13.8576 14.6857 14.6857 14.8065 14.8065 16.7587 16.7587 16.9030 16.9030 k = 0.1818 0.3149 0.3159 ( 1698 PWs) bands (ev): -47.1074 -47.1074 -47.1074 -47.1074 -21.4340 -21.4340 -21.4326 -21.4326 -13.9234 -13.9234 -13.8402 -13.8402 -13.5894 -13.5894 -13.5061 -13.5061 11.0792 11.0792 11.1298 11.1298 13.7580 13.7580 13.8616 13.8616 14.7133 14.7133 14.8293 14.8293 16.7675 16.7675 16.9031 16.9031 k = 0.1768 0.3062 0.3159 ( 1698 PWs) bands (ev): -47.1083 -47.1083 -47.1083 -47.1083 -21.4307 -21.4307 -21.4293 -21.4293 -13.9133 -13.9133 -13.8346 -13.8346 -13.5822 -13.5822 -13.5034 -13.5034 11.0129 11.0129 11.0592 11.0592 13.7694 13.7694 13.8672 13.8672 14.7420 14.7420 14.8528 14.8528 16.7727 16.7727 16.8994 16.8994 k = 0.1717 0.2974 0.3159 ( 1698 PWs) bands (ev): -47.1093 -47.1093 -47.1093 -47.1093 -21.4273 -21.4273 -21.4261 -21.4261 -13.9031 -13.9031 -13.8287 -13.8287 -13.5751 -13.5751 -13.5006 -13.5006 10.9452 10.9452 10.9875 10.9875 13.7828 13.7828 13.8748 13.8748 14.7719 14.7719 14.8771 14.8771 16.7735 16.7735 16.8912 16.8912 k = 0.1667 0.2887 0.3159 ( 1698 PWs) bands (ev): -47.1103 -47.1103 -47.1103 -47.1103 -21.4239 -21.4239 -21.4227 -21.4227 -13.8928 -13.8928 -13.8228 -13.8228 -13.5678 -13.5678 -13.4977 -13.4977 10.8765 10.8765 10.9149 10.9149 13.7984 13.7984 13.8845 13.8845 14.8028 14.8028 14.9023 14.9023 16.7694 16.7694 16.8781 16.8781 k = 0.1616 0.2799 0.3159 ( 1698 PWs) bands (ev): -47.1113 -47.1113 -47.1113 -47.1113 -21.4205 -21.4205 -21.4194 -21.4194 -13.8824 -13.8824 -13.8168 -13.8168 -13.5605 -13.5605 -13.4948 -13.4948 10.8067 10.8067 10.8414 10.8414 13.8162 13.8162 13.8963 13.8963 14.8347 14.8347 14.9284 14.9284 16.7599 16.7599 16.8598 16.8598 k = 0.1566 0.2712 0.3159 ( 1694 PWs) bands (ev): -47.1123 -47.1123 -47.1123 -47.1123 -21.4169 -21.4169 -21.4159 -21.4159 -13.8720 -13.8720 -13.8106 -13.8106 -13.5531 -13.5531 -13.4917 -13.4917 10.7360 10.7360 10.7672 10.7672 13.8361 13.8361 13.9104 13.9104 14.8676 14.8676 14.9556 14.9556 16.7447 16.7447 16.8359 16.8359 k = 0.1515 0.2624 0.3159 ( 1688 PWs) bands (ev): -47.1133 -47.1133 -47.1133 -47.1133 -21.4134 -21.4134 -21.4124 -21.4124 -13.8615 -13.8615 -13.8044 -13.8044 -13.5457 -13.5457 -13.4885 -13.4885 10.6646 10.6646 10.6926 10.6926 13.8582 13.8582 13.9267 13.9267 14.9013 14.9013 14.9836 14.9836 16.7239 16.7239 16.8068 16.8068 k = 0.1465 0.2537 0.3159 ( 1688 PWs) bands (ev): -47.1143 -47.1143 -47.1143 -47.1143 -21.4099 -21.4099 -21.4090 -21.4090 -13.8513 -13.8513 -13.7983 -13.7983 -13.5382 -13.5382 -13.4852 -13.4852 10.5926 10.5926 10.6177 10.6177 13.8825 13.8825 13.9454 13.9454 14.9357 14.9357 15.0126 15.0126 16.6977 16.6977 16.7726 16.7726 k = 0.1414 0.2449 0.3159 ( 1698 PWs) bands (ev): -47.1153 -47.1153 -47.1153 -47.1153 -21.4066 -21.4066 -21.4058 -21.4058 -13.8412 -13.8412 -13.7923 -13.7923 -13.5309 -13.5309 -13.4819 -13.4819 10.5204 10.5204 10.5426 10.5426 13.9087 13.9087 13.9663 13.9663 14.9709 14.9709 15.0425 15.0425 16.6663 16.6663 16.7337 16.7337 k = 0.1364 0.2362 0.3159 ( 1698 PWs) bands (ev): -47.1163 -47.1163 -47.1163 -47.1163 -21.4031 -21.4031 -21.4024 -21.4024 -13.8312 -13.8312 -13.7863 -13.7863 -13.5233 -13.5233 -13.4784 -13.4784 10.4480 10.4480 10.4676 10.4676 13.9369 13.9369 13.9894 13.9894 15.0065 15.0065 15.0730 15.0730 16.6303 16.6303 16.6908 16.6908 k = 0.1313 0.2274 0.3159 ( 1698 PWs) bands (ev): -47.1173 -47.1173 -47.1173 -47.1173 -21.3997 -21.3997 -21.3991 -21.3991 -13.8213 -13.8213 -13.7803 -13.7803 -13.5158 -13.5158 -13.4747 -13.4747 10.3757 10.3757 10.3930 10.3930 13.9669 13.9669 14.0146 14.0146 15.0426 15.0426 15.1042 15.1042 16.5904 16.5904 16.6445 16.6445 k = 0.1263 0.2187 0.3159 ( 1694 PWs) bands (ev): -47.1183 -47.1183 -47.1183 -47.1183 -21.3962 -21.3962 -21.3957 -21.3957 -13.8117 -13.8117 -13.7744 -13.7744 -13.5082 -13.5082 -13.4709 -13.4709 10.3038 10.3038 10.3189 10.3189 13.9985 13.9985 14.0417 14.0417 15.0788 15.0788 15.1359 15.1359 16.5472 16.5472 16.5956 16.5956 k = 0.1212 0.2099 0.3159 ( 1698 PWs) bands (ev): -47.1193 -47.1193 -47.1193 -47.1193 -21.3930 -21.3930 -21.3924 -21.3924 -13.8024 -13.8024 -13.7688 -13.7688 -13.5006 -13.5006 -13.4670 -13.4670 10.2324 10.2324 10.2456 10.2456 14.0317 14.0317 14.0706 14.0706 15.1152 15.1152 15.1679 15.1679 16.5014 16.5014 16.5446 16.5446 k = 0.1162 0.2012 0.3159 ( 1698 PWs) bands (ev): -47.1202 -47.1202 -47.1202 -47.1202 -21.3897 -21.3897 -21.3892 -21.3892 -13.7933 -13.7933 -13.7632 -13.7632 -13.4931 -13.4931 -13.4629 -13.4629 10.1619 10.1619 10.1733 10.1733 14.0663 14.0663 14.1012 14.1012 15.1514 15.1514 15.2000 15.2000 16.4538 16.4538 16.4924 16.4924 k = 0.1111 0.1925 0.3159 ( 1694 PWs) bands (ev): -47.1212 -47.1212 -47.1212 -47.1212 -21.3864 -21.3864 -21.3860 -21.3860 -13.7846 -13.7846 -13.7578 -13.7578 -13.4855 -13.4855 -13.4586 -13.4586 10.0923 10.0923 10.1022 10.1022 14.1021 14.1021 14.1332 14.1332 15.1873 15.1873 15.2320 15.2320 16.4050 16.4050 16.4396 16.4396 k = 0.1061 0.1837 0.3159 ( 1702 PWs) bands (ev): -47.1221 -47.1221 -47.1221 -47.1221 -21.3834 -21.3834 -21.3830 -21.3830 -13.7763 -13.7763 -13.7526 -13.7526 -13.4781 -13.4781 -13.4544 -13.4544 10.0241 10.0241 10.0326 10.0326 14.1388 14.1388 14.1665 14.1665 15.2227 15.2227 15.2637 15.2637 16.3558 16.3558 16.3867 16.3867 k = 0.1010 0.1750 0.3159 ( 1702 PWs) bands (ev): -47.1230 -47.1230 -47.1230 -47.1230 -21.3803 -21.3803 -21.3800 -21.3800 -13.7684 -13.7684 -13.7477 -13.7477 -13.4708 -13.4708 -13.4500 -13.4500 9.9574 9.9574 9.9646 9.9646 14.1764 14.1764 14.2009 14.2009 15.2575 15.2575 15.2949 15.2949 16.3066 16.3066 16.3343 16.3343 k = 0.0960 0.1662 0.3159 ( 1702 PWs) bands (ev): -47.1239 -47.1239 -47.1239 -47.1239 -21.3773 -21.3773 -21.3770 -21.3770 -13.7609 -13.7609 -13.7429 -13.7429 -13.4635 -13.4635 -13.4454 -13.4454 9.8924 9.8924 9.8985 9.8985 14.2145 14.2145 14.2360 14.2360 15.2912 15.2912 15.3255 15.3255 16.2581 16.2581 16.2830 16.2830 k = 0.0909 0.1575 0.3159 ( 1698 PWs) bands (ev): -47.1247 -47.1247 -47.1247 -47.1247 -21.3744 -21.3744 -21.3741 -21.3741 -13.7537 -13.7537 -13.7383 -13.7383 -13.4562 -13.4562 -13.4407 -13.4407 9.8293 9.8293 9.8344 9.8344 14.2530 14.2530 14.2718 14.2718 15.3239 15.3239 15.3550 15.3550 16.2107 16.2107 16.2331 16.2331 k = 0.0859 0.1487 0.3159 ( 1706 PWs) bands (ev): -47.1255 -47.1255 -47.1255 -47.1255 -21.3717 -21.3717 -21.3715 -21.3715 -13.7472 -13.7472 -13.7340 -13.7340 -13.4494 -13.4494 -13.4362 -13.4362 9.7684 9.7684 9.7726 9.7726 14.2915 14.2915 14.3078 14.3078 15.3551 15.3551 15.3833 15.3833 16.1649 16.1649 16.1850 16.1850 k = 0.0808 0.1400 0.3159 ( 1702 PWs) bands (ev): -47.1263 -47.1263 -47.1263 -47.1263 -21.3690 -21.3690 -21.3688 -21.3688 -13.7409 -13.7409 -13.7298 -13.7298 -13.4425 -13.4425 -13.4315 -13.4315 9.7098 9.7098 9.7133 9.7133 14.3300 14.3300 14.3440 14.3440 15.3847 15.3847 15.4101 15.4101 16.1211 16.1211 16.1392 16.1392 k = 0.0758 0.1312 0.3159 ( 1698 PWs) bands (ev): -47.1270 -47.1270 -47.1270 -47.1270 -21.3664 -21.3664 -21.3662 -21.3662 -13.7351 -13.7351 -13.7259 -13.7259 -13.4359 -13.4359 -13.4267 -13.4267 9.6538 9.6538 9.6567 9.6567 14.3680 14.3680 14.3799 14.3799 15.4124 15.4124 15.4351 15.4351 16.0798 16.0798 16.0960 16.0960 k = 0.0707 0.1225 0.3159 ( 1698 PWs) bands (ev): -47.1277 -47.1277 -47.1277 -47.1277 -21.3640 -21.3640 -21.3639 -21.3639 -13.7298 -13.7298 -13.7223 -13.7223 -13.4296 -13.4296 -13.4221 -13.4221 9.6005 9.6005 9.6028 9.6028 14.4054 14.4054 14.4154 14.4154 15.4380 15.4380 15.4582 15.4582 16.0411 16.0411 16.0556 16.0556 k = 0.0657 0.1137 0.3159 ( 1698 PWs) bands (ev): -47.1284 -47.1284 -47.1284 -47.1284 -21.3617 -21.3617 -21.3616 -21.3616 -13.7249 -13.7249 -13.7189 -13.7189 -13.4236 -13.4236 -13.4175 -13.4175 9.5502 9.5502 9.5520 9.5520 14.4418 14.4418 14.4501 14.4501 15.4612 15.4612 15.4789 15.4789 16.0056 16.0056 16.0183 16.0183 k = 0.0606 0.1050 0.3159 ( 1694 PWs) bands (ev): -47.1290 -47.1290 -47.1290 -47.1290 -21.3595 -21.3595 -21.3594 -21.3594 -13.7205 -13.7205 -13.7157 -13.7157 -13.4178 -13.4178 -13.4130 -13.4130 9.5028 9.5028 9.5043 9.5043 14.4770 14.4770 14.4838 14.4838 15.4818 15.4818 15.4971 15.4971 15.9735 15.9735 15.9846 15.9846 k = 0.0556 0.0962 0.3159 ( 1694 PWs) bands (ev): -47.1296 -47.1296 -47.1296 -47.1296 -21.3575 -21.3575 -21.3575 -21.3575 -13.7165 -13.7165 -13.7128 -13.7128 -13.4124 -13.4124 -13.4087 -13.4087 9.4587 9.4587 9.4598 9.4598 14.5107 14.5107 14.5161 14.5161 15.4997 15.4997 15.5125 15.5125 15.9450 15.9450 15.9544 15.9544 k = 0.0505 0.0875 0.3159 ( 1690 PWs) bands (ev): -47.1301 -47.1301 -47.1301 -47.1301 -21.3556 -21.3556 -21.3556 -21.3556 -13.7129 -13.7129 -13.7101 -13.7101 -13.4074 -13.4074 -13.4046 -13.4046 9.4180 9.4180 9.4188 9.4188 14.5427 14.5427 14.5469 14.5469 15.5145 15.5145 15.5251 15.5251 15.9204 15.9204 15.9282 15.9282 k = 0.0455 0.0787 0.3159 ( 1686 PWs) bands (ev): -47.1306 -47.1306 -47.1306 -47.1306 -21.3539 -21.3539 -21.3539 -21.3539 -13.7097 -13.7097 -13.7076 -13.7076 -13.4028 -13.4028 -13.4007 -13.4007 9.3807 9.3807 9.3813 9.3813 14.5727 14.5727 14.5758 14.5758 15.5262 15.5262 15.5346 15.5346 15.8997 15.8997 15.9059 15.9059 k = 0.0404 0.0700 0.3159 ( 1682 PWs) bands (ev): -47.1311 -47.1311 -47.1311 -47.1311 -21.3523 -21.3523 -21.3523 -21.3523 -13.7068 -13.7068 -13.7054 -13.7054 -13.3986 -13.3986 -13.3971 -13.3971 9.3471 9.3471 9.3475 9.3475 14.6003 14.6003 14.6026 14.6026 15.5350 15.5350 15.5413 15.5413 15.8828 15.8828 15.8876 15.8876 k = 0.0354 0.0612 0.3159 ( 1686 PWs) bands (ev): -47.1315 -47.1315 -47.1315 -47.1315 -21.3510 -21.3510 -21.3510 -21.3510 -13.7045 -13.7045 -13.7036 -13.7036 -13.3949 -13.3949 -13.3939 -13.3939 9.3171 9.3171 9.3174 9.3174 14.6254 14.6254 14.6270 14.6270 15.5410 15.5410 15.5455 15.5455 15.8696 15.8696 15.8730 15.8730 k = 0.0303 0.0525 0.3159 ( 1686 PWs) bands (ev): -47.1318 -47.1318 -47.1318 -47.1318 -21.3499 -21.3499 -21.3499 -21.3499 -13.7025 -13.7025 -13.7019 -13.7019 -13.3916 -13.3916 -13.3910 -13.3910 9.2909 9.2909 9.2911 9.2911 14.6476 14.6476 14.6487 14.6487 15.5445 15.5445 15.5475 15.5475 15.8596 15.8596 15.8619 15.8619 k = 0.0253 0.0437 0.3159 ( 1688 PWs) bands (ev): -47.1321 -47.1321 -47.1321 -47.1321 -21.3489 -21.3489 -21.3489 -21.3489 -13.7008 -13.7008 -13.7004 -13.7004 -13.3889 -13.3889 -13.3885 -13.3885 9.2686 9.2686 9.2687 9.2687 14.6669 14.6669 14.6675 14.6675 15.5461 15.5461 15.5479 15.5479 15.8524 15.8524 15.8537 15.8537 k = 0.0202 0.0350 0.3159 ( 1688 PWs) bands (ev): -47.1324 -47.1324 -47.1324 -47.1324 -21.3481 -21.3481 -21.3481 -21.3481 -13.6994 -13.6994 -13.6992 -13.6992 -13.3866 -13.3866 -13.3865 -13.3865 9.2503 9.2503 9.2504 9.2504 14.6829 14.6829 14.6832 14.6832 15.5463 15.5463 15.5472 15.5472 15.8473 15.8473 15.8480 15.8480 k = 0.0152 0.0262 0.3159 ( 1688 PWs) bands (ev): -47.1325 -47.1325 -47.1325 -47.1325 -21.3475 -21.3475 -21.3475 -21.3475 -13.6984 -13.6984 -13.6983 -13.6983 -13.3849 -13.3849 -13.3848 -13.3848 9.2360 9.2360 9.2360 9.2360 14.6955 14.6955 14.6956 14.6956 15.5458 15.5458 15.5462 15.5462 15.8439 15.8439 15.8443 15.8443 k = 0.0101 0.0175 0.3159 ( 1690 PWs) bands (ev): -47.1327 -47.1327 -47.1327 -47.1327 -21.3470 -21.3470 -21.3470 -21.3470 -13.6977 -13.6977 -13.6976 -13.6976 -13.3836 -13.3836 -13.3836 -13.3836 9.2257 9.2257 9.2258 9.2258 14.7046 14.7046 14.7046 14.7046 15.5450 15.5450 15.5451 15.5451 15.8418 15.8418 15.8419 15.8419 k = 0.0051 0.0087 0.3159 ( 1690 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -21.3468 -21.3468 -21.3468 -21.3468 -13.6972 -13.6972 -13.6972 -13.6972 -13.3829 -13.3829 -13.3829 -13.3829 9.2196 9.2196 9.2196 9.2196 14.7101 14.7101 14.7101 14.7101 15.5443 15.5443 15.5443 15.5443 15.8407 15.8407 15.8407 15.8407 k = 0.0000 0.0000 0.3159 ( 1690 PWs) bands (ev): -47.1328 -47.1328 -47.1328 -47.1328 -21.3467 -21.3467 -21.3467 -21.3467 -13.6971 -13.6971 -13.6971 -13.6971 -13.3826 -13.3826 -13.3826 -13.3826 9.2175 9.2175 9.2175 9.2175 14.7119 14.7119 14.7119 14.7119 15.5441 15.5441 15.5441 15.5441 15.8403 15.8403 15.8403 15.8403 k = 0.5000 0.2887 0.3159 ( 1692 PWs) bands (ev): -47.0967 -47.0967 -47.0967 -47.0967 -21.4704 -21.4704 -21.4704 -21.4704 -14.0098 -14.0098 -14.0098 -14.0098 -13.5528 -13.5528 -13.5528 -13.5528 11.2116 11.2116 11.2116 11.2116 13.6136 13.6136 13.6136 13.6136 15.6554 15.6554 15.6554 15.6554 17.2614 17.2614 17.2614 17.2614 k = 0.5000 0.2887 0.3061 ( 1688 PWs) bands (ev): -47.0973 -47.0973 -47.0962 -47.0962 -21.4720 -21.4720 -21.4687 -21.4687 -14.0112 -14.0112 -14.0081 -14.0081 -13.5589 -13.5589 -13.5469 -13.5469 11.1781 11.1781 11.2471 11.2471 13.5825 13.5825 13.6415 13.6415 15.6198 15.6198 15.6918 15.6918 17.1567 17.1567 17.3692 17.3692 k = 0.5000 0.2887 0.2962 ( 1688 PWs) bands (ev): -47.0979 -47.0979 -47.0956 -47.0956 -21.4737 -21.4737 -21.4670 -21.4670 -14.0123 -14.0123 -14.0062 -14.0062 -13.5654 -13.5654 -13.5413 -13.5413 11.1467 11.1467 11.2844 11.2844 13.5492 13.5492 13.6651 13.6651 15.5861 15.5861 15.7276 15.7276 17.0552 17.0552 17.4798 17.4798 k = 0.5000 0.2887 0.2863 ( 1696 PWs) bands (ev): -47.0985 -47.0985 -47.0950 -47.0950 -21.4753 -21.4753 -21.4655 -21.4655 -14.0133 -14.0133 -14.0041 -14.0041 -13.5722 -13.5722 -13.5361 -13.5361 11.1177 11.1177 11.3232 11.3232 13.5146 13.5146 13.6834 13.6834 15.5556 15.5556 15.7620 15.7620 16.9570 16.9570 17.5932 17.5932 k = 0.5000 0.2887 0.2764 ( 1696 PWs) bands (ev): -47.0990 -47.0990 -47.0945 -47.0945 -21.4769 -21.4769 -21.4639 -21.4639 -14.0140 -14.0140 -14.0018 -14.0018 -13.5792 -13.5792 -13.5310 -13.5310 11.0912 11.0912 11.3633 11.3633 13.4796 13.4796 13.6953 13.6953 15.5294 15.5294 15.7939 15.7939 16.8623 16.8623 17.7093 17.7093 k = 0.5000 0.2887 0.2666 ( 1702 PWs) bands (ev): -47.0996 -47.0996 -47.0939 -47.0939 -21.4787 -21.4787 -21.4623 -21.4623 -14.0144 -14.0144 -13.9993 -13.9993 -13.5864 -13.5864 -13.5264 -13.5264 11.0672 11.0672 11.4043 11.4043 13.4449 13.4449 13.6999 13.6999 15.5087 15.5087 15.8225 15.8225 16.7712 16.7712 17.8280 17.8280 k = 0.5000 0.2887 0.2567 ( 1704 PWs) bands (ev): -47.1002 -47.1002 -47.0934 -47.0934 -21.4802 -21.4802 -21.4607 -21.4607 -14.0145 -14.0145 -13.9966 -13.9966 -13.5938 -13.5938 -13.5220 -13.5220 11.0460 11.0460 11.4460 11.4460 13.4114 13.4114 13.6964 13.6964 15.4943 15.4943 15.8469 15.8469 16.6840 16.6840 17.9492 17.9492 k = 0.5000 0.2887 0.2468 ( 1702 PWs) bands (ev): -47.1007 -47.1007 -47.0928 -47.0928 -21.4817 -21.4817 -21.4590 -21.4590 -14.0142 -14.0142 -13.9937 -13.9937 -13.6014 -13.6014 -13.5179 -13.5179 11.0275 11.0275 11.4878 11.4878 13.3796 13.3796 13.6845 13.6845 15.4869 15.4869 15.8666 15.8666 16.6009 16.6009 18.0728 18.0728 k = 0.5000 0.2887 0.2369 ( 1708 PWs) bands (ev): -47.1013 -47.1013 -47.0923 -47.0923 -21.4833 -21.4833 -21.4575 -21.4575 -14.0138 -14.0138 -13.9908 -13.9908 -13.6093 -13.6093 -13.5142 -13.5142 11.0119 11.0119 11.5295 11.5295 13.3501 13.3501 13.6638 13.6638 15.4866 15.4866 15.8809 15.8809 16.5224 16.5224 18.1986 18.1986 k = 0.5000 0.2887 0.2271 ( 1708 PWs) bands (ev): -47.1018 -47.1018 -47.0917 -47.0917 -21.4847 -21.4847 -21.4559 -21.4559 -14.0130 -14.0130 -13.9876 -13.9876 -13.6172 -13.6172 -13.5108 -13.5108 10.9992 10.9992 11.5705 11.5705 13.3236 13.3236 13.6348 13.6348 15.4932 15.4932 15.8893 15.8893 16.4489 16.4489 18.3265 18.3265 k = 0.5000 0.2887 0.2172 ( 1708 PWs) bands (ev): -47.1023 -47.1023 -47.0912 -47.0912 -21.4861 -21.4861 -21.4544 -21.4544 -14.0119 -14.0119 -13.9844 -13.9844 -13.6253 -13.6253 -13.5076 -13.5076 10.9894 10.9894 11.6103 11.6103 13.3003 13.3003 13.5981 13.5981 15.5063 15.5063 15.8912 15.8912 16.3808 16.3808 18.4565 18.4565 k = 0.5000 0.2887 0.2073 ( 1704 PWs) bands (ev): -47.1028 -47.1028 -47.0907 -47.0907 -21.4873 -21.4873 -21.4528 -21.4528 -14.0105 -14.0105 -13.9810 -13.9810 -13.6335 -13.6335 -13.5048 -13.5048 10.9826 10.9826 11.6486 11.6486 13.2807 13.2807 13.5547 13.5547 15.5248 15.5248 15.8864 15.8864 16.3189 16.3189 18.5882 18.5882 k = 0.5000 0.2887 0.1975 ( 1692 PWs) bands (ev): -47.1033 -47.1033 -47.0902 -47.0902 -21.4883 -21.4883 -21.4513 -21.4513 -14.0087 -14.0087 -13.9775 -13.9775 -13.6415 -13.6415 -13.5021 -13.5021 10.9787 10.9787 11.6847 11.6847 13.2644 13.2644 13.5062 13.5062 15.5475 15.5475 15.8747 15.8747 16.2636 16.2636 18.7217 18.7217 k = 0.5000 0.2887 0.1876 ( 1696 PWs) bands (ev): -47.1038 -47.1038 -47.0897 -47.0897 -21.4897 -21.4897 -21.4499 -21.4499 -14.0068 -14.0068 -13.9742 -13.9742 -13.6499 -13.6499 -13.4999 -13.4999 10.9778 10.9778 11.7182 11.7182 13.2506 13.2506 13.4550 13.4550 15.5726 15.5726 15.8564 15.8564 16.2155 16.2155 18.8566 18.8566 k = 0.5000 0.2887 0.1777 ( 1700 PWs) bands (ev): -47.1042 -47.1042 -47.0893 -47.0893 -21.4910 -21.4910 -21.4486 -21.4486 -14.0046 -14.0046 -13.9708 -13.9708 -13.6583 -13.6583 -13.4978 -13.4978 10.9797 10.9797 11.7487 11.7487 13.2362 13.2362 13.4054 13.4054 15.5983 15.5983 15.8326 15.8326 16.1748 16.1748 18.9927 18.9927 k = 0.5000 0.2887 0.1678 ( 1700 PWs) bands (ev): -47.1047 -47.1047 -47.0888 -47.0888 -21.4921 -21.4921 -21.4473 -21.4473 -14.0022 -14.0022 -13.9674 -13.9674 -13.6666 -13.6666 -13.4961 -13.4961 10.9846 10.9846 11.7758 11.7758 13.2141 13.2141 13.3658 13.3658 15.6217 15.6217 15.8051 15.8051 16.1417 16.1417 19.1298 19.1298 k = 0.5000 0.2887 0.1580 ( 1700 PWs) bands (ev): -47.1051 -47.1051 -47.0884 -47.0884 -21.4932 -21.4932 -21.4460 -21.4460 -13.9995 -13.9995 -13.9641 -13.9641 -13.6750 -13.6750 -13.4945 -13.4945 10.9921 10.9921 11.7995 11.7995 13.1756 13.1756 13.3458 13.3458 15.6388 15.6388 15.7771 15.7771 16.1166 16.1166 19.2676 19.2676 k = 0.5000 0.2887 0.1481 ( 1704 PWs) bands (ev): -47.1055 -47.1055 -47.0880 -47.0880 -21.4943 -21.4943 -21.4448 -21.4448 -13.9966 -13.9966 -13.9609 -13.9609 -13.6833 -13.6833 -13.4932 -13.4932 11.0024 11.0024 11.8195 11.8195 13.1211 13.1211 13.3458 13.3458 15.6440 15.6440 15.7528 15.7528 16.1001 16.1001 19.4056 19.4056 k = 0.5000 0.2887 0.1382 ( 1696 PWs) bands (ev): -47.1058 -47.1058 -47.0877 -47.0877 -21.4952 -21.4952 -21.4434 -21.4434 -13.9934 -13.9934 -13.9577 -13.9577 -13.6913 -13.6913 -13.4920 -13.4920 11.0152 11.0152 11.8359 11.8359 13.0575 13.0575 13.3595 13.3595 15.6332 15.6332 15.7355 15.7355 16.0930 16.0930 19.5434 19.5434 k = 0.5000 0.2887 0.1283 ( 1696 PWs) bands (ev): -47.1062 -47.1062 -47.0873 -47.0873 -21.4962 -21.4962 -21.4423 -21.4423 -13.9901 -13.9901 -13.9548 -13.9548 -13.6993 -13.6993 -13.4910 -13.4910 11.0304 11.0304 11.8489 11.8489 12.9897 12.9897 13.3822 13.3822 15.6094 15.6094 15.7213 15.7213 16.0959 16.0959 19.6805 19.6805 k = 0.5000 0.2887 0.1185 ( 1694 PWs) bands (ev): -47.1065 -47.1065 -47.0870 -47.0870 -21.4970 -21.4970 -21.4413 -21.4413 -13.9866 -13.9866 -13.9519 -13.9519 -13.7070 -13.7070 -13.4903 -13.4903 11.0478 11.0478 11.8588 11.8588 12.9203 12.9203 13.4114 13.4114 15.5794 15.5794 15.7042 15.7042 16.1078 16.1078 19.8158 19.8158 k = 0.5000 0.2887 0.1086 ( 1696 PWs) bands (ev): -47.1068 -47.1068 -47.0867 -47.0867 -21.4978 -21.4978 -21.4403 -21.4403 -13.9830 -13.9830 -13.9494 -13.9494 -13.7145 -13.7145 -13.4897 -13.4897 11.0671 11.0671 11.8659 11.8659 12.8509 12.8509 13.4453 13.4453 15.5476 15.5476 15.6818 15.6818 16.1266 16.1266 19.9485 19.9485 k = 0.5000 0.2887 0.0987 ( 1696 PWs) bands (ev): -47.1071 -47.1071 -47.0864 -47.0864 -21.4986 -21.4986 -21.4394 -21.4394 -13.9792 -13.9792 -13.9470 -13.9470 -13.7217 -13.7217 -13.4892 -13.4892 11.0880 11.0880 11.8708 11.8708 12.7827 12.7827 13.4826 13.4826 15.5162 15.5162 15.6547 15.6547 16.1500 16.1500 20.0767 20.0767 k = 0.5000 0.2887 0.0889 ( 1696 PWs) bands (ev): -47.1074 -47.1074 -47.0861 -47.0861 -21.4992 -21.4992 -21.4386 -21.4386 -13.9755 -13.9755 -13.9450 -13.9450 -13.7285 -13.7285 -13.4888 -13.4888 11.1101 11.1101 11.8737 11.8737 12.7165 12.7165 13.5221 13.5221 15.4861 15.4861 15.6242 15.6242 16.1757 16.1757 20.1977 20.1977 k = 0.5000 0.2887 0.0790 ( 1692 PWs) bands (ev): -47.1076 -47.1076 -47.0859 -47.0859 -21.4998 -21.4998 -21.4377 -21.4377 -13.9716 -13.9716 -13.9432 -13.9432 -13.7349 -13.7349 -13.4885 -13.4885 11.1331 11.1331 11.8751 11.8751 12.6534 12.6534 13.5625 13.5625 15.4579 15.4579 15.5921 15.5921 16.2019 16.2019 20.3068 20.3068 k = 0.5000 0.2887 0.0691 ( 1688 PWs) bands (ev): -47.1078 -47.1078 -47.0857 -47.0857 -21.5002 -21.5002 -21.4370 -21.4370 -13.9678 -13.9678 -13.9418 -13.9418 -13.7407 -13.7407 -13.4883 -13.4883 11.1562 11.1562 11.8754 11.8754 12.5942 12.5942 13.6026 13.6026 15.4318 15.4318 15.5598 15.5598 16.2273 16.2273 20.3955 20.3955 k = 0.5000 0.2887 0.0592 ( 1688 PWs) bands (ev): -47.1080 -47.1080 -47.0855 -47.0855 -21.5007 -21.5007 -21.4364 -21.4364 -13.9641 -13.9641 -13.9408 -13.9408 -13.7459 -13.7459 -13.4881 -13.4881 11.1789 11.1789 11.8749 11.8749 12.5398 12.5398 13.6411 13.6411 15.4081 15.4081 15.5290 15.5290 16.2508 16.2508 20.4545 20.4545 k = 0.5000 0.2887 0.0494 ( 1692 PWs) bands (ev): -47.1081 -47.1081 -47.0853 -47.0853 -21.5012 -21.5012 -21.4360 -21.4360 -13.9606 -13.9606 -13.9402 -13.9402 -13.7506 -13.7506 -13.4881 -13.4881 11.2003 11.2003 11.8740 11.8740 12.4911 12.4911 13.6767 13.6767 15.3869 15.3869 15.5008 15.5008 16.2718 16.2718 20.4858 20.4858 k = 0.5000 0.2887 0.0395 ( 1692 PWs) bands (ev): -47.1083 -47.1083 -47.0852 -47.0852 -21.5015 -21.5015 -21.4356 -21.4356 -13.9573 -13.9573 -13.9400 -13.9400 -13.7545 -13.7545 -13.4880 -13.4880 11.2197 11.2197 11.8730 11.8730 12.4493 12.4493 13.7081 13.7081 15.3685 15.3685 15.4766 15.4766 16.2896 16.2896 20.5009 20.5009 k = 0.5000 0.2887 0.0296 ( 1684 PWs) bands (ev): -47.1083 -47.1083 -47.0851 -47.0851 -21.5017 -21.5017 -21.4351 -21.4351 -13.9542 -13.9542 -13.9400 -13.9400 -13.7576 -13.7576 -13.4879 -13.4879 11.2361 11.2361 11.8719 11.8719 12.4153 12.4153 13.7342 13.7342 15.3531 15.3531 15.4571 15.4571 16.3038 16.3038 20.5084 20.5084 k = 0.5000 0.2887 0.0197 ( 1680 PWs) bands (ev): -47.1084 -47.1084 -47.0850 -47.0850 -21.5018 -21.5018 -21.4348 -21.4348 -13.9517 -13.9517 -13.9404 -13.9404 -13.7598 -13.7598 -13.4878 -13.4878 11.2487 11.2487 11.8710 11.8710 12.3901 12.3901 13.7537 13.7537 15.3415 15.3415 15.4429 15.4429 16.3142 16.3142 20.5122 20.5122 k = 0.5000 0.2887 0.0099 ( 1682 PWs) bands (ev): -47.1085 -47.1085 -47.0850 -47.0850 -21.5019 -21.5019 -21.4347 -21.4347 -13.9499 -13.9499 -13.9410 -13.9410 -13.7611 -13.7611 -13.4879 -13.4879 11.2565 11.2565 11.8705 11.8705 12.3746 12.3746 13.7657 13.7657 15.3342 15.3342 15.4344 15.4344 16.3205 16.3205 20.5140 20.5140 k = 0.5000 0.2887-0.0000 ( 1682 PWs) bands (ev): -47.1085 -47.1085 -47.0850 -47.0850 -21.5019 -21.5019 -21.4347 -21.4347 -13.9492 -13.9492 -13.9413 -13.9413 -13.7616 -13.7616 -13.4879 -13.4879 11.2592 11.2592 11.8703 11.8703 12.3694 12.3694 13.7698 13.7698 15.3317 15.3317 15.4316 15.4316 16.3226 16.3226 20.5145 20.5145 k = 0.3333 0.5774-0.0000 ( 1698 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4824 -21.4824 -21.4820 -21.4820 -13.9253 -13.9253 -13.8695 -13.8695 -13.7777 -13.7777 -13.7106 -13.7106 12.4761 12.4761 12.6169 12.6169 12.9681 12.9681 13.1311 13.1311 14.8835 14.8835 14.9890 14.9890 16.6589 16.6589 19.6360 19.6360 k = 0.3333 0.5774 0.0099 ( 1698 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4824 -21.4824 -21.4820 -21.4820 -13.9261 -13.9261 -13.8693 -13.8693 -13.7777 -13.7777 -13.7100 -13.7100 12.4772 12.4772 12.6173 12.6173 12.9679 12.9679 13.1314 13.1314 14.8817 14.8817 14.9874 14.9874 16.6585 16.6585 19.6398 19.6398 k = 0.3333 0.5774 0.0197 ( 1698 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4825 -21.4825 -21.4820 -21.4820 -13.9283 -13.9283 -13.8688 -13.8688 -13.7776 -13.7776 -13.7083 -13.7083 12.4803 12.4803 12.6184 12.6184 12.9675 12.9675 13.1323 13.1323 14.8761 14.8761 14.9827 14.9827 16.6574 16.6574 19.6513 19.6513 k = 0.3333 0.5774 0.0296 ( 1704 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4826 -21.4826 -21.4821 -21.4821 -13.9319 -13.9319 -13.8681 -13.8681 -13.7776 -13.7776 -13.7055 -13.7055 12.4854 12.4854 12.6203 12.6203 12.9667 12.9667 13.1337 13.1337 14.8669 14.8669 14.9748 14.9748 16.6555 16.6555 19.6697 19.6697 k = 0.3333 0.5774 0.0395 ( 1704 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4826 -21.4826 -21.4821 -21.4821 -13.9365 -13.9365 -13.8672 -13.8672 -13.7774 -13.7774 -13.7015 -13.7015 12.4925 12.4925 12.6229 12.6229 12.9657 12.9657 13.1357 13.1357 14.8543 14.8543 14.9641 14.9641 16.6529 16.6529 19.6943 19.6943 k = 0.3333 0.5774 0.0494 ( 1704 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4827 -21.4827 -21.4821 -21.4821 -13.9420 -13.9420 -13.8664 -13.8664 -13.7772 -13.7772 -13.6967 -13.6967 12.5016 12.5016 12.6262 12.6262 12.9644 12.9644 13.1382 13.1382 14.8384 14.8384 14.9507 14.9507 16.6498 16.6498 19.7236 19.7236 k = 0.3333 0.5774 0.0592 ( 1704 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4828 -21.4828 -21.4821 -21.4821 -13.9482 -13.9482 -13.8655 -13.8655 -13.7770 -13.7770 -13.6911 -13.6911 12.5126 12.5126 12.6302 12.6302 12.9628 12.9628 13.1413 13.1413 14.8194 14.8194 14.9348 14.9348 16.6463 16.6463 19.7552 19.7552 k = 0.3333 0.5774 0.0691 ( 1704 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4829 -21.4829 -21.4821 -21.4821 -13.9548 -13.9548 -13.8648 -13.8648 -13.7766 -13.7766 -13.6849 -13.6849 12.5254 12.5254 12.6349 12.6349 12.9608 12.9608 13.1449 13.1449 14.7977 14.7977 14.9168 14.9168 16.6424 16.6424 19.7777 19.7777 k = 0.3333 0.5774 0.0790 ( 1704 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4830 -21.4830 -21.4821 -21.4821 -13.9619 -13.9619 -13.8642 -13.8642 -13.7763 -13.7763 -13.6782 -13.6782 12.5399 12.5399 12.6402 12.6402 12.9586 12.9586 13.1489 13.1489 14.7734 14.7734 14.8969 14.8969 16.6385 16.6385 19.6945 19.6945 k = 0.3333 0.5774 0.0889 ( 1701 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4831 -21.4831 -21.4821 -21.4821 -13.9691 -13.9691 -13.8637 -13.8637 -13.7758 -13.7758 -13.6710 -13.6710 12.5561 12.5561 12.6462 12.6462 12.9560 12.9560 13.1533 13.1533 14.7470 14.7470 14.8756 14.8756 16.6345 16.6345 19.5820 19.5820 k = 0.3333 0.5774 0.0987 ( 1689 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4831 -21.4831 -21.4819 -21.4819 -13.9764 -13.9764 -13.8632 -13.8632 -13.7753 -13.7753 -13.6635 -13.6635 12.5739 12.5739 12.6527 12.6527 12.9532 12.9532 13.1582 13.1582 14.7187 14.7187 14.8531 14.8531 16.6309 16.6309 19.4624 19.4624 k = 0.3333 0.5774 0.1086 ( 1689 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4832 -21.4832 -21.4820 -21.4820 -13.9839 -13.9839 -13.8629 -13.8629 -13.7749 -13.7749 -13.6558 -13.6558 12.5930 12.5930 12.6597 12.6597 12.9500 12.9500 13.1634 13.1634 14.6888 14.6888 14.8298 14.8298 16.6276 16.6276 19.3387 19.3387 k = 0.3333 0.5774 0.1185 ( 1689 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4834 -21.4834 -21.4820 -21.4820 -13.9914 -13.9914 -13.8627 -13.8627 -13.7744 -13.7744 -13.6481 -13.6481 12.6134 12.6134 12.6672 12.6672 12.9465 12.9465 13.1689 13.1689 14.6578 14.6578 14.8060 14.8060 16.6250 16.6250 19.2125 19.2125 k = 0.3333 0.5774 0.1283 ( 1695 PWs) bands (ev): -47.0923 -47.0923 -47.0922 -47.0922 -21.4837 -21.4837 -21.4821 -21.4821 -13.9988 -13.9988 -13.8627 -13.8627 -13.7740 -13.7740 -13.6405 -13.6405 12.6349 12.6349 12.6751 12.6751 12.9427 12.9427 13.1747 13.1747 14.6259 14.6259 14.7820 14.7820 16.6233 16.6233 19.0852 19.0852 k = 0.3333 0.5774 0.1382 ( 1695 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4839 -21.4839 -21.4822 -21.4822 -14.0061 -14.0061 -13.8626 -13.8626 -13.7734 -13.7734 -13.6328 -13.6328 12.6573 12.6573 12.6834 12.6834 12.9387 12.9387 13.1807 13.1807 14.5934 14.5934 14.7580 14.7580 16.6227 16.6227 18.9576 18.9576 k = 0.3333 0.5774 0.1481 ( 1695 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4840 -21.4840 -21.4822 -21.4822 -14.0131 -14.0131 -13.8626 -13.8626 -13.7729 -13.7729 -13.6253 -13.6253 12.6805 12.6805 12.6920 12.6920 12.9345 12.9345 13.1868 13.1868 14.5607 14.5607 14.7345 14.7345 16.6234 16.6234 18.8305 18.8305 k = 0.3333 0.5774 0.1580 ( 1701 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4843 -21.4843 -21.4823 -21.4823 -14.0200 -14.0200 -13.8627 -13.8627 -13.7725 -13.7725 -13.6180 -13.6180 12.7009 12.7009 12.7043 12.7043 12.9300 12.9300 13.1930 13.1930 14.5280 14.5280 14.7115 14.7115 16.6257 16.6257 18.7046 18.7046 k = 0.3333 0.5774 0.1678 ( 1701 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4845 -21.4845 -21.4824 -21.4824 -14.0266 -14.0266 -13.8628 -13.8628 -13.7720 -13.7720 -13.6109 -13.6109 12.7099 12.7099 12.7283 12.7283 12.9253 12.9253 13.1992 13.1992 14.4957 14.4957 14.6893 14.6893 16.6298 16.6298 18.5804 18.5804 k = 0.3333 0.5774 0.1777 ( 1701 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4847 -21.4847 -21.4824 -21.4824 -14.0329 -14.0329 -13.8629 -13.8629 -13.7715 -13.7715 -13.6041 -13.6041 12.7189 12.7189 12.7525 12.7525 12.9206 12.9206 13.2054 13.2054 14.4640 14.4640 14.6681 14.6681 16.6359 16.6359 18.4583 18.4583 k = 0.3333 0.5774 0.1876 ( 1701 PWs) bands (ev): -47.0923 -47.0923 -47.0923 -47.0923 -21.4849 -21.4849 -21.4824 -21.4824 -14.0388 -14.0388 -13.8631 -13.8631 -13.7710 -13.7710 -13.5975 -13.5975 12.7280 12.7280 12.7766 12.7766 12.9157 12.9157 13.2115 13.2115 14.4332 14.4332 14.6480 14.6480 16.6445 16.6445 18.3388 18.3388 k = 0.3333 0.5774 0.1975 ( 1695 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4849 -21.4849 -21.4824 -21.4824 -14.0443 -14.0443 -13.8632 -13.8632 -13.7704 -13.7704 -13.5913 -13.5913 12.7369 12.7369 12.8004 12.8004 12.9109 12.9109 13.2175 13.2175 14.4036 14.4036 14.6292 14.6292 16.6555 16.6555 18.2222 18.2222 k = 0.3333 0.5774 0.2073 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4850 -21.4850 -21.4824 -21.4824 -14.0495 -14.0495 -13.8633 -13.8633 -13.7699 -13.7699 -13.5855 -13.5855 12.7457 12.7457 12.8235 12.8235 12.9061 12.9061 13.2232 13.2232 14.3753 14.3753 14.6117 14.6117 16.6694 16.6694 18.1088 18.1088 k = 0.3333 0.5774 0.2172 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4852 -21.4852 -21.4824 -21.4824 -14.0544 -14.0544 -13.8635 -13.8635 -13.7694 -13.7694 -13.5801 -13.5801 12.7541 12.7541 12.8457 12.8457 12.9014 12.9014 13.2286 13.2286 14.3486 14.3486 14.5956 14.5956 16.6863 16.6863 17.9991 17.9991 k = 0.3333 0.5774 0.2271 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4853 -21.4853 -21.4824 -21.4824 -14.0588 -14.0588 -13.8636 -13.8636 -13.7690 -13.7690 -13.5751 -13.5751 12.7622 12.7622 12.8668 12.8668 12.8970 12.8970 13.2337 13.2337 14.3238 14.3238 14.5810 14.5810 16.7064 16.7064 17.8932 17.8932 k = 0.3333 0.5774 0.2369 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4854 -21.4854 -21.4823 -21.4823 -14.0627 -14.0627 -13.8638 -13.8638 -13.7685 -13.7685 -13.5706 -13.5706 12.7698 12.7698 12.8865 12.8865 12.8928 12.8928 13.2383 13.2383 14.3010 14.3010 14.5679 14.5679 16.7299 16.7299 17.7916 17.7916 k = 0.3333 0.5774 0.2468 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4855 -21.4855 -21.4824 -21.4824 -14.0662 -14.0662 -13.8639 -13.8639 -13.7682 -13.7682 -13.5666 -13.5666 12.7767 12.7767 12.8887 12.8887 12.9048 12.9048 13.2425 13.2425 14.2804 14.2804 14.5563 14.5563 16.7568 16.7568 17.6946 17.6946 k = 0.3333 0.5774 0.2567 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4856 -21.4856 -21.4824 -21.4824 -14.0694 -14.0694 -13.8640 -13.8640 -13.7679 -13.7679 -13.5630 -13.5630 12.7830 12.7830 12.8852 12.8852 12.9211 12.9211 13.2463 13.2463 14.2621 14.2621 14.5462 14.5462 16.7871 16.7871 17.6026 17.6026 k = 0.3333 0.5774 0.2666 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4858 -21.4858 -21.4825 -21.4825 -14.0721 -14.0721 -13.8642 -13.8642 -13.7677 -13.7677 -13.5601 -13.5601 12.7885 12.7885 12.8821 12.8821 12.9352 12.9352 13.2495 13.2495 14.2464 14.2464 14.5377 14.5377 16.8207 16.8207 17.5162 17.5162 k = 0.3333 0.5774 0.2764 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4825 -21.4825 -14.0742 -14.0742 -13.8643 -13.8643 -13.7674 -13.7674 -13.5576 -13.5576 12.7931 12.7931 12.8795 12.8795 12.9472 12.9472 13.2521 13.2521 14.2334 14.2334 14.5308 14.5308 16.8570 16.8570 17.4363 17.4363 k = 0.3333 0.5774 0.2863 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4825 -21.4825 -14.0759 -14.0759 -13.8644 -13.8644 -13.7673 -13.7673 -13.5557 -13.5557 12.7968 12.7968 12.8774 12.8774 12.9566 12.9566 13.2542 13.2542 14.2231 14.2231 14.5254 14.5254 16.8948 16.8948 17.3642 17.3642 k = 0.3333 0.5774 0.2962 ( 1692 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4860 -21.4860 -21.4825 -21.4825 -14.0772 -14.0772 -13.8644 -13.8644 -13.7671 -13.7671 -13.5543 -13.5543 12.7995 12.7995 12.8759 12.8759 12.9635 12.9635 13.2557 13.2557 14.2157 14.2157 14.5215 14.5215 16.9314 16.9314 17.3030 17.3030 k = 0.3333 0.5774 0.3061 ( 1695 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4860 -21.4860 -21.4826 -21.4826 -14.0779 -14.0779 -13.8645 -13.8645 -13.7671 -13.7671 -13.5535 -13.5535 12.8011 12.8011 12.8749 12.8749 12.9677 12.9677 13.2566 13.2566 14.2112 14.2112 14.5192 14.5192 16.9609 16.9609 17.2587 17.2587 k = 0.3333 0.5774 0.3159 ( 1686 PWs) bands (ev): -47.0922 -47.0922 -47.0922 -47.0922 -21.4859 -21.4859 -21.4824 -21.4824 -14.0780 -14.0780 -13.8645 -13.8645 -13.7669 -13.7669 -13.5531 -13.5531 12.8016 12.8016 12.8746 12.8746 12.9691 12.9691 13.2569 13.2569 14.2097 14.2097 14.5185 14.5185 16.9729 16.9729 17.2417 17.2417 Writing output data file Hf.save init_run : 0.10s CPU 0.26s WALL ( 1 calls) electrons : 58.00s CPU 59.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 57.99s CPU 59.58s 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 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 417 calls) cegterg : 52.61s CPU 53.80s WALL ( 508 calls) Called by sum_band: Called by *egterg: h_psi : 27.41s CPU 29.47s WALL ( 7324 calls) s_psi : 1.16s CPU 1.18s WALL ( 7324 calls) g_psi : 0.06s CPU 0.07s WALL ( 6399 calls) cdiaghg : 24.04s CPU 23.31s WALL ( 6816 calls) cegterg:over : 1.80s CPU 1.62s WALL ( 6399 calls) cegterg:upda : 1.01s CPU 1.07s WALL ( 6399 calls) cegterg:last : 0.46s CPU 0.67s WALL ( 1350 calls) cdiaghg:chol : 1.04s CPU 1.16s WALL ( 6816 calls) cdiaghg:inve : 0.54s CPU 0.54s WALL ( 6816 calls) cdiaghg:para : 1.24s CPU 1.37s WALL ( 13632 calls) Called by h_psi: h_psi:vloc : 24.74s CPU 26.55s WALL ( 7324 calls) h_psi:vnl : 2.66s CPU 2.89s WALL ( 7324 calls) add_vuspsi : 1.47s CPU 1.58s WALL ( 7324 calls) General routines calbec : 1.18s CPU 1.29s WALL ( 7324 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.56s CPU 25.21s WALL ( 524484 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.10s WALL ( 834 calls) Parallel routines fft_scatter : 10.30s CPU 11.15s WALL ( 524507 calls) PWSCF : 1m 7.18s CPU 1m18.75s WALL This run was terminated on: 19:30:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=