Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:36:44 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: ./SrSbAu.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 25 7 4534 1122 173 Max 63 26 8 4547 1147 182 Sum 2263 913 253 163493 40807 6349 bravais-lattice index = 14 lattice parameter (alat) = 8.8288 a.u. unit-cell volume = 1109.3085 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.828800 celldm(2)= 1.000000 celldm(3)= 1.861301 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 1.861301 ) 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 0.537259 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Sr 10.00 87.62000 Sr( 1.00) Au 11.00 196.96660 Au( 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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 ) ( 0.9306507 ) 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= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0035714 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0035714 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0035714 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0035714 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0035714 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0035714 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0035714 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0035714 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0035714 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0035714 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0035714 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0035714 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0035714 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0035714 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0035714 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0035714 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0035714 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0035714 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0035714 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0035714 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0035714 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0035714 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0035714 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0035714 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0035714 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0035714 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0035714 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0035714 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0035714 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0035714 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0035714 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0035714 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0035714 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0035714 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0035714 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0035714 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035714 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0035714 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0035714 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0035714 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0035714 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0035714 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0035714 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0035714 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0035714 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0035714 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0035714 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0035714 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0035714 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0035714 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0035714 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0035714 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0035714 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0035714 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0035714 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0035714 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0035714 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0035714 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0035714 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035714 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035714 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0035714 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0035714 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0035714 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0035714 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0035714 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0035714 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0035714 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0035714 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0035714 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0035714 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0035714 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0035714 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0035714 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0035714 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035714 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0035714 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0035714 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0035714 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0035714 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0035714 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0035714 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0035714 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0035714 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0035714 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0035714 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0035714 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0035714 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0035714 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0035714 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035714 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0035714 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0035714 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0035714 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0035714 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0035714 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0035714 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0035714 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0035714 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0035714 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0035714 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0035714 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0035714 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0035714 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0035714 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.0141384), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0282768), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.0424151), wk = 0.0035714 k( 115) = ( 0.0000000 0.0000000 0.0565535), wk = 0.0035714 k( 116) = ( 0.0000000 0.0000000 0.0706919), wk = 0.0035714 k( 117) = ( 0.0000000 0.0000000 0.0848303), wk = 0.0035714 k( 118) = ( 0.0000000 0.0000000 0.0989687), wk = 0.0035714 k( 119) = ( 0.0000000 0.0000000 0.1131071), wk = 0.0035714 k( 120) = ( 0.0000000 0.0000000 0.1272454), wk = 0.0035714 k( 121) = ( 0.0000000 0.0000000 0.1413838), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.1555222), wk = 0.0035714 k( 123) = ( 0.0000000 0.0000000 0.1696606), wk = 0.0035714 k( 124) = ( 0.0000000 0.0000000 0.1837990), wk = 0.0035714 k( 125) = ( 0.0000000 0.0000000 0.1979373), wk = 0.0035714 k( 126) = ( 0.0000000 0.0000000 0.2120757), wk = 0.0035714 k( 127) = ( 0.0000000 0.0000000 0.2262141), wk = 0.0035714 k( 128) = ( 0.0000000 0.0000000 0.2403525), wk = 0.0035714 k( 129) = ( 0.0000000 0.0000000 0.2544909), wk = 0.0035714 k( 130) = ( 0.0000000 0.0000000 0.2686293), wk = 0.0035714 k( 131) = ( 0.0000000 0.0000000 0.2686293), wk = 0.0035714 k( 132) = ( 0.0128205 0.0074019 0.2686293), wk = 0.0035714 k( 133) = ( 0.0256410 0.0148039 0.2686293), wk = 0.0035714 k( 134) = ( 0.0384615 0.0222058 0.2686293), wk = 0.0035714 k( 135) = ( 0.0512821 0.0296077 0.2686293), wk = 0.0035714 k( 136) = ( 0.0641026 0.0370096 0.2686293), wk = 0.0035714 k( 137) = ( 0.0769231 0.0444116 0.2686293), wk = 0.0035714 k( 138) = ( 0.0897436 0.0518135 0.2686293), wk = 0.0035714 k( 139) = ( 0.1025641 0.0592154 0.2686293), wk = 0.0035714 k( 140) = ( 0.1153846 0.0666173 0.2686293), wk = 0.0035714 k( 141) = ( 0.1282051 0.0740193 0.2686293), wk = 0.0035714 k( 142) = ( 0.1410256 0.0814212 0.2686293), wk = 0.0035714 k( 143) = ( 0.1538461 0.0888231 0.2686293), wk = 0.0035714 k( 144) = ( 0.1666667 0.0962250 0.2686293), wk = 0.0035714 k( 145) = ( 0.1794872 0.1036270 0.2686293), wk = 0.0035714 k( 146) = ( 0.1923077 0.1110289 0.2686293), wk = 0.0035714 k( 147) = ( 0.2051282 0.1184308 0.2686293), wk = 0.0035714 k( 148) = ( 0.2179487 0.1258328 0.2686293), wk = 0.0035714 k( 149) = ( 0.2307692 0.1332347 0.2686293), wk = 0.0035714 k( 150) = ( 0.2435897 0.1406366 0.2686293), wk = 0.0035714 k( 151) = ( 0.2564103 0.1480385 0.2686293), wk = 0.0035714 k( 152) = ( 0.2692308 0.1554405 0.2686293), wk = 0.0035714 k( 153) = ( 0.2820513 0.1628424 0.2686293), wk = 0.0035714 k( 154) = ( 0.2948718 0.1702443 0.2686293), wk = 0.0035714 k( 155) = ( 0.3076923 0.1776462 0.2686293), wk = 0.0035714 k( 156) = ( 0.3205128 0.1850482 0.2686293), wk = 0.0035714 k( 157) = ( 0.3333333 0.1924501 0.2686293), wk = 0.0035714 k( 158) = ( 0.3461538 0.1998520 0.2686293), wk = 0.0035714 k( 159) = ( 0.3589744 0.2072539 0.2686293), wk = 0.0035714 k( 160) = ( 0.3717949 0.2146559 0.2686293), wk = 0.0035714 k( 161) = ( 0.3846154 0.2220578 0.2686293), wk = 0.0035714 k( 162) = ( 0.3974359 0.2294597 0.2686293), wk = 0.0035714 k( 163) = ( 0.4102564 0.2368616 0.2686293), wk = 0.0035714 k( 164) = ( 0.4230769 0.2442636 0.2686293), wk = 0.0035714 k( 165) = ( 0.4358974 0.2516655 0.2686293), wk = 0.0035714 k( 166) = ( 0.4487179 0.2590674 0.2686293), wk = 0.0035714 k( 167) = ( 0.4615385 0.2664694 0.2686293), wk = 0.0035714 k( 168) = ( 0.4743590 0.2738713 0.2686293), wk = 0.0035714 k( 169) = ( 0.4871795 0.2812732 0.2686293), wk = 0.0035714 k( 170) = ( 0.5000000 0.2886751 0.2686293), wk = 0.0035714 k( 171) = ( 0.5000000 0.2886751 0.2686293), wk = 0.0035714 k( 172) = ( 0.4927536 0.3012262 0.2686293), wk = 0.0035714 k( 173) = ( 0.4855073 0.3137773 0.2686293), wk = 0.0035714 k( 174) = ( 0.4782609 0.3263284 0.2686293), wk = 0.0035714 k( 175) = ( 0.4710145 0.3388795 0.2686293), wk = 0.0035714 k( 176) = ( 0.4637681 0.3514306 0.2686293), wk = 0.0035714 k( 177) = ( 0.4565217 0.3639817 0.2686293), wk = 0.0035714 k( 178) = ( 0.4492754 0.3765328 0.2686293), wk = 0.0035714 k( 179) = ( 0.4420290 0.3890839 0.2686293), wk = 0.0035714 k( 180) = ( 0.4347826 0.4016350 0.2686293), wk = 0.0035714 k( 181) = ( 0.4275362 0.4141861 0.2686293), wk = 0.0035714 k( 182) = ( 0.4202899 0.4267372 0.2686293), wk = 0.0035714 k( 183) = ( 0.4130435 0.4392882 0.2686293), wk = 0.0035714 k( 184) = ( 0.4057971 0.4518393 0.2686293), wk = 0.0035714 k( 185) = ( 0.3985507 0.4643904 0.2686293), wk = 0.0035714 k( 186) = ( 0.3913044 0.4769415 0.2686293), wk = 0.0035714 k( 187) = ( 0.3840580 0.4894926 0.2686293), wk = 0.0035714 k( 188) = ( 0.3768116 0.5020437 0.2686293), wk = 0.0035714 k( 189) = ( 0.3695652 0.5145948 0.2686293), wk = 0.0035714 k( 190) = ( 0.3623188 0.5271459 0.2686293), wk = 0.0035714 k( 191) = ( 0.3550725 0.5396970 0.2686293), wk = 0.0035714 k( 192) = ( 0.3478261 0.5522481 0.2686293), wk = 0.0035714 k( 193) = ( 0.3405797 0.5647992 0.2686293), wk = 0.0035714 k( 194) = ( 0.3333333 0.5773503 0.2686293), wk = 0.0035714 k( 195) = ( 0.3333333 0.5773503 0.2686293), wk = 0.0035714 k( 196) = ( 0.3259259 0.5645203 0.2686293), wk = 0.0035714 k( 197) = ( 0.3185185 0.5516903 0.2686293), wk = 0.0035714 k( 198) = ( 0.3111111 0.5388602 0.2686293), wk = 0.0035714 k( 199) = ( 0.3037037 0.5260302 0.2686293), wk = 0.0035714 k( 200) = ( 0.2962963 0.5132002 0.2686293), wk = 0.0035714 k( 201) = ( 0.2888889 0.5003702 0.2686293), wk = 0.0035714 k( 202) = ( 0.2814815 0.4875402 0.2686293), wk = 0.0035714 k( 203) = ( 0.2740741 0.4747102 0.2686293), wk = 0.0035714 k( 204) = ( 0.2666667 0.4618802 0.2686293), wk = 0.0035714 k( 205) = ( 0.2592593 0.4490502 0.2686293), wk = 0.0035714 k( 206) = ( 0.2518518 0.4362202 0.2686293), wk = 0.0035714 k( 207) = ( 0.2444444 0.4233902 0.2686293), wk = 0.0035714 k( 208) = ( 0.2370370 0.4105602 0.2686293), wk = 0.0035714 k( 209) = ( 0.2296296 0.3977302 0.2686293), wk = 0.0035714 k( 210) = ( 0.2222222 0.3849002 0.2686293), wk = 0.0035714 k( 211) = ( 0.2148148 0.3720702 0.2686293), wk = 0.0035714 k( 212) = ( 0.2074074 0.3592402 0.2686293), wk = 0.0035714 k( 213) = ( 0.2000000 0.3464102 0.2686293), wk = 0.0035714 k( 214) = ( 0.1925926 0.3335802 0.2686293), wk = 0.0035714 k( 215) = ( 0.1851852 0.3207502 0.2686293), wk = 0.0035714 k( 216) = ( 0.1777778 0.3079201 0.2686293), wk = 0.0035714 k( 217) = ( 0.1703704 0.2950901 0.2686293), wk = 0.0035714 k( 218) = ( 0.1629630 0.2822601 0.2686293), wk = 0.0035714 k( 219) = ( 0.1555556 0.2694301 0.2686293), wk = 0.0035714 k( 220) = ( 0.1481482 0.2566001 0.2686293), wk = 0.0035714 k( 221) = ( 0.1407407 0.2437701 0.2686293), wk = 0.0035714 k( 222) = ( 0.1333333 0.2309401 0.2686293), wk = 0.0035714 k( 223) = ( 0.1259259 0.2181101 0.2686293), wk = 0.0035714 k( 224) = ( 0.1185185 0.2052801 0.2686293), wk = 0.0035714 k( 225) = ( 0.1111111 0.1924501 0.2686293), wk = 0.0035714 k( 226) = ( 0.1037037 0.1796201 0.2686293), wk = 0.0035714 k( 227) = ( 0.0962963 0.1667901 0.2686293), wk = 0.0035714 k( 228) = ( 0.0888889 0.1539601 0.2686293), wk = 0.0035714 k( 229) = ( 0.0814815 0.1411301 0.2686293), wk = 0.0035714 k( 230) = ( 0.0740741 0.1283001 0.2686293), wk = 0.0035714 k( 231) = ( 0.0666667 0.1154701 0.2686293), wk = 0.0035714 k( 232) = ( 0.0592593 0.1026400 0.2686293), wk = 0.0035714 k( 233) = ( 0.0518518 0.0898100 0.2686293), wk = 0.0035714 k( 234) = ( 0.0444444 0.0769800 0.2686293), wk = 0.0035714 k( 235) = ( 0.0370370 0.0641500 0.2686293), wk = 0.0035714 k( 236) = ( 0.0296296 0.0513200 0.2686293), wk = 0.0035714 k( 237) = ( 0.0222222 0.0384900 0.2686293), wk = 0.0035714 k( 238) = ( 0.0148148 0.0256600 0.2686293), wk = 0.0035714 k( 239) = ( 0.0074074 0.0128300 0.2686293), wk = 0.0035714 k( 240) = ( 0.0000000 0.0000000 0.2686293), wk = 0.0035714 k( 241) = ( 0.5000000 0.2886751 0.2686293), wk = 0.0035714 k( 242) = ( 0.5000000 0.2886751 0.2544909), wk = 0.0035714 k( 243) = ( 0.5000000 0.2886751 0.2403525), wk = 0.0035714 k( 244) = ( 0.5000000 0.2886751 0.2262141), wk = 0.0035714 k( 245) = ( 0.5000000 0.2886751 0.2120757), wk = 0.0035714 k( 246) = ( 0.5000000 0.2886751 0.1979373), wk = 0.0035714 k( 247) = ( 0.5000000 0.2886751 0.1837990), wk = 0.0035714 k( 248) = ( 0.5000000 0.2886751 0.1696606), wk = 0.0035714 k( 249) = ( 0.5000000 0.2886751 0.1555222), wk = 0.0035714 k( 250) = ( 0.5000000 0.2886751 0.1413838), wk = 0.0035714 k( 251) = ( 0.5000000 0.2886751 0.1272454), wk = 0.0035714 k( 252) = ( 0.5000000 0.2886751 0.1131071), wk = 0.0035714 k( 253) = ( 0.5000000 0.2886751 0.0989687), wk = 0.0035714 k( 254) = ( 0.5000000 0.2886751 0.0848303), wk = 0.0035714 k( 255) = ( 0.5000000 0.2886751 0.0706919), wk = 0.0035714 k( 256) = ( 0.5000000 0.2886751 0.0565535), wk = 0.0035714 k( 257) = ( 0.5000000 0.2886751 0.0424151), wk = 0.0035714 k( 258) = ( 0.5000000 0.2886751 0.0282768), wk = 0.0035714 k( 259) = ( 0.5000000 0.2886751 0.0141384), wk = 0.0035714 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035714 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035714 k( 262) = ( 0.3333333 0.5773503 0.0141384), wk = 0.0035714 k( 263) = ( 0.3333333 0.5773503 0.0282768), wk = 0.0035714 k( 264) = ( 0.3333333 0.5773503 0.0424151), wk = 0.0035714 k( 265) = ( 0.3333333 0.5773503 0.0565535), wk = 0.0035714 k( 266) = ( 0.3333333 0.5773503 0.0706919), wk = 0.0035714 k( 267) = ( 0.3333333 0.5773503 0.0848303), wk = 0.0035714 k( 268) = ( 0.3333333 0.5773503 0.0989687), wk = 0.0035714 k( 269) = ( 0.3333333 0.5773503 0.1131071), wk = 0.0035714 k( 270) = ( 0.3333333 0.5773503 0.1272454), wk = 0.0035714 k( 271) = ( 0.3333333 0.5773503 0.1413838), wk = 0.0035714 k( 272) = ( 0.3333333 0.5773503 0.1555222), wk = 0.0035714 k( 273) = ( 0.3333333 0.5773503 0.1696606), wk = 0.0035714 k( 274) = ( 0.3333333 0.5773503 0.1837990), wk = 0.0035714 k( 275) = ( 0.3333333 0.5773503 0.1979373), wk = 0.0035714 k( 276) = ( 0.3333333 0.5773503 0.2120757), wk = 0.0035714 k( 277) = ( 0.3333333 0.5773503 0.2262141), wk = 0.0035714 k( 278) = ( 0.3333333 0.5773503 0.2403525), wk = 0.0035714 k( 279) = ( 0.3333333 0.5773503 0.2544909), wk = 0.0035714 k( 280) = ( 0.3333333 0.5773503 0.2686293), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0035714 k( 3) = ( 0.0256410 0.0000000 -0.0000000), wk = 0.0035714 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0035714 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0035714 k( 6) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0035714 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0035714 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0035714 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0035714 k( 10) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0035714 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0035714 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0035714 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0035714 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035714 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0035714 k( 16) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0035714 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0035714 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0035714 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0035714 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0035714 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0035714 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0035714 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0035714 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0035714 k( 26) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0035714 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0035714 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0035714 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0035714 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0035714 k( 31) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0035714 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0035714 k( 33) = ( 0.4102564 0.0000000 -0.0000000), wk = 0.0035714 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0035714 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0035714 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0035714 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0035714 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0035714 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035714 k( 42) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0035714 k( 43) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0035714 k( 44) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0035714 k( 45) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0035714 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0035714 k( 47) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0035714 k( 48) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0035714 k( 49) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0035714 k( 50) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0035714 k( 51) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0035714 k( 52) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0035714 k( 53) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0035714 k( 54) = ( 0.4057971 0.1884058 -0.0000000), wk = 0.0035714 k( 55) = ( 0.3985507 0.2028985 0.0000000), wk = 0.0035714 k( 56) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0035714 k( 57) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0035714 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0035714 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0035714 k( 60) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0035714 k( 61) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0035714 k( 62) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0035714 k( 63) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0035714 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035714 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035714 k( 66) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0035714 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0035714 k( 68) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0035714 k( 69) = ( 0.3037037 0.3037037 0.0000000), wk = 0.0035714 k( 70) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0035714 k( 71) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0035714 k( 72) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0035714 k( 73) = ( 0.2740741 0.2740741 0.0000000), wk = 0.0035714 k( 74) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0035714 k( 75) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0035714 k( 76) = ( 0.2518518 0.2518518 0.0000000), wk = 0.0035714 k( 77) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0035714 k( 78) = ( 0.2370370 0.2370370 -0.0000000), wk = 0.0035714 k( 79) = ( 0.2296296 0.2296296 0.0000000), wk = 0.0035714 k( 80) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0035714 k( 81) = ( 0.2148148 0.2148148 0.0000000), wk = 0.0035714 k( 82) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0035714 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0035714 k( 84) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0035714 k( 85) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0035714 k( 86) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0035714 k( 87) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0035714 k( 88) = ( 0.1629630 0.1629630 -0.0000000), wk = 0.0035714 k( 89) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0035714 k( 90) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0035714 k( 91) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0035714 k( 92) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0035714 k( 93) = ( 0.1259259 0.1259259 -0.0000000), wk = 0.0035714 k( 94) = ( 0.1185185 0.1185185 -0.0000000), wk = 0.0035714 k( 95) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0035714 k( 96) = ( 0.1037037 0.1037037 -0.0000000), wk = 0.0035714 k( 97) = ( 0.0962963 0.0962963 0.0000000), wk = 0.0035714 k( 98) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0035714 k( 99) = ( 0.0814815 0.0814815 -0.0000000), wk = 0.0035714 k( 100) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0035714 k( 101) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0035714 k( 102) = ( 0.0592593 0.0592593 -0.0000000), wk = 0.0035714 k( 103) = ( 0.0518518 0.0518518 -0.0000000), wk = 0.0035714 k( 104) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0035714 k( 105) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0035714 k( 106) = ( 0.0296296 0.0296296 -0.0000000), wk = 0.0035714 k( 107) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0035714 k( 108) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0035714 k( 109) = ( 0.0074074 0.0074074 0.0000000), wk = 0.0035714 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0035714 k( 115) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0035714 k( 116) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0035714 k( 117) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0035714 k( 118) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0035714 k( 119) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0035714 k( 120) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0035714 k( 121) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0035714 k( 123) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0035714 k( 124) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0035714 k( 125) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0035714 k( 126) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0035714 k( 127) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0035714 k( 128) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0035714 k( 129) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0035714 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 132) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0035714 k( 133) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0035714 k( 134) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0035714 k( 135) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0035714 k( 136) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0035714 k( 137) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0035714 k( 138) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0035714 k( 139) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0035714 k( 140) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0035714 k( 141) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0035714 k( 142) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0035714 k( 143) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0035714 k( 144) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0035714 k( 145) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0035714 k( 146) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0035714 k( 147) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0035714 k( 148) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0035714 k( 149) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0035714 k( 150) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0035714 k( 151) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0035714 k( 152) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0035714 k( 153) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0035714 k( 154) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0035714 k( 155) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0035714 k( 156) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0035714 k( 157) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0035714 k( 158) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0035714 k( 159) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0035714 k( 160) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0035714 k( 161) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0035714 k( 162) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0035714 k( 163) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0035714 k( 164) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0035714 k( 165) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0035714 k( 166) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0035714 k( 167) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0035714 k( 168) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0035714 k( 169) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0035714 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 172) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0035714 k( 173) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0035714 k( 174) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0035714 k( 175) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0035714 k( 176) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0035714 k( 177) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0035714 k( 178) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0035714 k( 179) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0035714 k( 180) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0035714 k( 181) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0035714 k( 182) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0035714 k( 183) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0035714 k( 184) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0035714 k( 185) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0035714 k( 186) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0035714 k( 187) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0035714 k( 188) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0035714 k( 189) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0035714 k( 190) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0035714 k( 191) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0035714 k( 192) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0035714 k( 193) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0035714 k( 194) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035714 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035714 k( 196) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0035714 k( 197) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0035714 k( 198) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0035714 k( 199) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0035714 k( 200) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0035714 k( 201) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0035714 k( 202) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0035714 k( 203) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0035714 k( 204) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0035714 k( 205) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0035714 k( 206) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0035714 k( 207) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0035714 k( 208) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0035714 k( 209) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0035714 k( 210) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035714 k( 211) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0035714 k( 212) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0035714 k( 213) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0035714 k( 214) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0035714 k( 215) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0035714 k( 216) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0035714 k( 217) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0035714 k( 218) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0035714 k( 219) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0035714 k( 220) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0035714 k( 221) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0035714 k( 222) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0035714 k( 223) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0035714 k( 224) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0035714 k( 225) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035714 k( 226) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0035714 k( 227) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0035714 k( 228) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0035714 k( 229) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0035714 k( 230) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0035714 k( 231) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0035714 k( 232) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0035714 k( 233) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0035714 k( 234) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0035714 k( 235) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0035714 k( 236) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0035714 k( 237) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0035714 k( 238) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0035714 k( 239) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0035714 k( 240) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 241) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 242) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0035714 k( 243) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0035714 k( 244) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0035714 k( 245) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0035714 k( 246) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0035714 k( 247) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0035714 k( 248) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0035714 k( 249) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0035714 k( 250) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0035714 k( 251) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0035714 k( 252) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0035714 k( 253) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0035714 k( 254) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0035714 k( 255) = ( 0.5000000 0.0000000 0.1315789), wk = 0.0035714 k( 256) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0035714 k( 257) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0035714 k( 258) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0035714 k( 259) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0035714 k( 260) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035714 k( 261) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035714 k( 262) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0035714 k( 263) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0035714 k( 264) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0035714 k( 265) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0035714 k( 266) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0035714 k( 267) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0035714 k( 268) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0035714 k( 269) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0035714 k( 270) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0035714 k( 271) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0035714 k( 272) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0035714 k( 273) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0035714 k( 274) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0035714 k( 275) = ( 0.3333333 0.3333333 0.3684210), wk = 0.0035714 k( 276) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0035714 k( 277) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0035714 k( 278) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0035714 k( 279) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0035714 k( 280) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035714 Dense grid: 163493 G-vectors FFT dimensions: ( 60, 60, 108) Smooth grid: 40807 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 314, 62) NL pseudopotentials 0.49 Mb ( 157, 204) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 4545) G-vector shells 0.02 Mb ( 2171) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 314, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./SrSbAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.3 secs Computing kpt #: 8 total cpu time spent up to now is 13.6 secs Computing kpt #: 9 total cpu time spent up to now is 15.2 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.6 secs Computing kpt #: 12 total cpu time spent up to now is 18.7 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 20.5 secs Computing kpt #: 15 total cpu time spent up to now is 21.5 secs Computing kpt #: 16 total cpu time spent up to now is 22.8 secs Computing kpt #: 17 total cpu time spent up to now is 24.3 secs Computing kpt #: 18 total cpu time spent up to now is 25.8 secs Computing kpt #: 19 total cpu time spent up to now is 27.0 secs Computing kpt #: 20 total cpu time spent up to now is 28.3 secs Computing kpt #: 21 total cpu time spent up to now is 29.6 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 32.0 secs Computing kpt #: 24 total cpu time spent up to now is 33.0 secs Computing kpt #: 25 total cpu time spent up to now is 34.2 secs Computing kpt #: 26 total cpu time spent up to now is 35.5 secs Computing kpt #: 27 total cpu time spent up to now is 37.3 secs Computing kpt #: 28 total cpu time spent up to now is 38.3 secs Computing kpt #: 29 total cpu time spent up to now is 39.7 secs Computing kpt #: 30 total cpu time spent up to now is 40.7 secs Computing kpt #: 31 total cpu time spent up to now is 41.6 secs Computing kpt #: 32 total cpu time spent up to now is 43.2 secs Computing kpt #: 33 total cpu time spent up to now is 44.1 secs Computing kpt #: 34 total cpu time spent up to now is 45.0 secs Computing kpt #: 35 total cpu time spent up to now is 45.9 secs Computing kpt #: 36 total cpu time spent up to now is 46.8 secs Computing kpt #: 37 total cpu time spent up to now is 47.7 secs Computing kpt #: 38 total cpu time spent up to now is 48.6 secs Computing kpt #: 39 total cpu time spent up to now is 49.4 secs Computing kpt #: 40 total cpu time spent up to now is 50.3 secs Computing kpt #: 41 total cpu time spent up to now is 51.5 secs Computing kpt #: 42 total cpu time spent up to now is 52.4 secs Computing kpt #: 43 total cpu time spent up to now is 53.2 secs Computing kpt #: 44 total cpu time spent up to now is 54.1 secs Computing kpt #: 45 total cpu time spent up to now is 55.0 secs Computing kpt #: 46 total cpu time spent up to now is 55.9 secs Computing kpt #: 47 total cpu time spent up to now is 56.7 secs Computing kpt #: 48 total cpu time spent up to now is 57.6 secs Computing kpt #: 49 total cpu time spent up to now is 58.5 secs Computing kpt #: 50 total cpu time spent up to now is 59.3 secs Computing kpt #: 51 total cpu time spent up to now is 60.2 secs Computing kpt #: 52 total cpu time spent up to now is 61.0 secs Computing kpt #: 53 total cpu time spent up to now is 61.8 secs Computing kpt #: 54 total cpu time spent up to now is 62.7 secs Computing kpt #: 55 total cpu time spent up to now is 63.5 secs Computing kpt #: 56 total cpu time spent up to now is 64.5 secs Computing kpt #: 57 total cpu time spent up to now is 65.3 secs Computing kpt #: 58 total cpu time spent up to now is 66.1 secs Computing kpt #: 59 total cpu time spent up to now is 66.9 secs Computing kpt #: 60 total cpu time spent up to now is 67.9 secs Computing kpt #: 61 total cpu time spent up to now is 68.8 secs Computing kpt #: 62 total cpu time spent up to now is 69.6 secs Computing kpt #: 63 total cpu time spent up to now is 70.4 secs Computing kpt #: 64 total cpu time spent up to now is 71.2 secs Computing kpt #: 65 total cpu time spent up to now is 72.0 secs Computing kpt #: 66 total cpu time spent up to now is 72.8 secs Computing kpt #: 67 total cpu time spent up to now is 73.7 secs Computing kpt #: 68 total cpu time spent up to now is 74.7 secs Computing kpt #: 69 total cpu time spent up to now is 75.6 secs Computing kpt #: 70 total cpu time spent up to now is 76.5 secs Computing kpt #: 71 total cpu time spent up to now is 77.4 secs Computing kpt #: 72 total cpu time spent up to now is 78.3 secs Computing kpt #: 73 total cpu time spent up to now is 79.1 secs Computing kpt #: 74 total cpu time spent up to now is 80.0 secs Computing kpt #: 75 total cpu time spent up to now is 80.8 secs Computing kpt #: 76 total cpu time spent up to now is 81.6 secs Computing kpt #: 77 total cpu time spent up to now is 82.4 secs Computing kpt #: 78 total cpu time spent up to now is 83.3 secs Computing kpt #: 79 total cpu time spent up to now is 84.1 secs Computing kpt #: 80 total cpu time spent up to now is 84.9 secs Computing kpt #: 81 total cpu time spent up to now is 85.7 secs Computing kpt #: 82 total cpu time spent up to now is 86.5 secs Computing kpt #: 83 total cpu time spent up to now is 87.3 secs Computing kpt #: 84 total cpu time spent up to now is 88.1 secs Computing kpt #: 85 total cpu time spent up to now is 88.9 secs Computing kpt #: 86 total cpu time spent up to now is 89.7 secs Computing kpt #: 87 total cpu time spent up to now is 90.5 secs Computing kpt #: 88 total cpu time spent up to now is 91.4 secs Computing kpt #: 89 total cpu time spent up to now is 92.5 secs Computing kpt #: 90 total cpu time spent up to now is 93.8 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.8 secs Computing kpt #: 92 total cpu time spent up to now is 97.1 secs Computing kpt #: 93 total cpu time spent up to now is 98.4 secs Computing kpt #: 94 total cpu time spent up to now is 99.8 secs Computing kpt #: 95 total cpu time spent up to now is 100.6 secs Computing kpt #: 96 total cpu time spent up to now is 101.7 secs Computing kpt #: 97 total cpu time spent up to now is 102.7 secs Computing kpt #: 98 total cpu time spent up to now is 103.6 secs Computing kpt #: 99 total cpu time spent up to now is 104.7 secs Computing kpt #: 100 total cpu time spent up to now is 105.9 secs Computing kpt #: 101 total cpu time spent up to now is 107.1 secs Computing kpt #: 102 total cpu time spent up to now is 108.4 secs Computing kpt #: 103 total cpu time spent up to now is 109.6 secs Computing kpt #: 104 total cpu time spent up to now is 110.9 secs Computing kpt #: 105 total cpu time spent up to now is 112.1 secs Computing kpt #: 106 total cpu time spent up to now is 113.6 secs Computing kpt #: 107 total cpu time spent up to now is 115.1 secs Computing kpt #: 108 total cpu time spent up to now is 116.5 secs Computing kpt #: 109 total cpu time spent up to now is 118.0 secs Computing kpt #: 110 total cpu time spent up to now is 119.4 secs Computing kpt #: 111 total cpu time spent up to now is 120.7 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.6 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.5 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.4 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.4 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.4 secs Computing kpt #: 117 total cpu time spent up to now is 131.8 secs Computing kpt #: 118 total cpu time spent up to now is 133.4 secs Computing kpt #: 119 total cpu time spent up to now is 135.0 secs Computing kpt #: 120 total cpu time spent up to now is 136.3 secs Computing kpt #: 121 total cpu time spent up to now is 137.7 secs Computing kpt #: 122 total cpu time spent up to now is 139.0 secs Computing kpt #: 123 total cpu time spent up to now is 140.4 secs Computing kpt #: 124 total cpu time spent up to now is 141.5 secs Computing kpt #: 125 total cpu time spent up to now is 142.9 secs Computing kpt #: 126 total cpu time spent up to now is 144.3 secs Computing kpt #: 127 total cpu time spent up to now is 145.6 secs Computing kpt #: 128 total cpu time spent up to now is 147.0 secs Computing kpt #: 129 total cpu time spent up to now is 148.4 secs Computing kpt #: 130 total cpu time spent up to now is 149.5 secs Computing kpt #: 131 total cpu time spent up to now is 150.7 secs Computing kpt #: 132 total cpu time spent up to now is 151.9 secs Computing kpt #: 133 total cpu time spent up to now is 153.0 secs Computing kpt #: 134 total cpu time spent up to now is 154.1 secs Computing kpt #: 135 total cpu time spent up to now is 155.2 secs Computing kpt #: 136 total cpu time spent up to now is 156.3 secs Computing kpt #: 137 total cpu time spent up to now is 157.3 secs Computing kpt #: 138 total cpu time spent up to now is 158.3 secs Computing kpt #: 139 total cpu time spent up to now is 159.2 secs Computing kpt #: 140 total cpu time spent up to now is 160.0 secs Computing kpt #: 141 total cpu time spent up to now is 160.9 secs Computing kpt #: 142 total cpu time spent up to now is 161.7 secs Computing kpt #: 143 total cpu time spent up to now is 162.5 secs Computing kpt #: 144 total cpu time spent up to now is 163.4 secs Computing kpt #: 145 total cpu time spent up to now is 164.2 secs Computing kpt #: 146 total cpu time spent up to now is 165.0 secs Computing kpt #: 147 total cpu time spent up to now is 165.8 secs Computing kpt #: 148 total cpu time spent up to now is 166.6 secs Computing kpt #: 149 total cpu time spent up to now is 167.5 secs Computing kpt #: 150 total cpu time spent up to now is 168.3 secs Computing kpt #: 151 total cpu time spent up to now is 169.1 secs Computing kpt #: 152 total cpu time spent up to now is 170.1 secs Computing kpt #: 153 total cpu time spent up to now is 171.1 secs Computing kpt #: 154 total cpu time spent up to now is 172.1 secs Computing kpt #: 155 total cpu time spent up to now is 173.1 secs Computing kpt #: 156 total cpu time spent up to now is 174.1 secs Computing kpt #: 157 total cpu time spent up to now is 175.0 secs Computing kpt #: 158 total cpu time spent up to now is 176.0 secs Computing kpt #: 159 total cpu time spent up to now is 176.8 secs Computing kpt #: 160 total cpu time spent up to now is 177.8 secs Computing kpt #: 161 total cpu time spent up to now is 178.6 secs Computing kpt #: 162 total cpu time spent up to now is 179.5 secs Computing kpt #: 163 total cpu time spent up to now is 180.4 secs Computing kpt #: 164 total cpu time spent up to now is 181.3 secs Computing kpt #: 165 total cpu time spent up to now is 182.1 secs Computing kpt #: 166 total cpu time spent up to now is 183.0 secs Computing kpt #: 167 total cpu time spent up to now is 184.0 secs Computing kpt #: 168 total cpu time spent up to now is 184.9 secs Computing kpt #: 169 total cpu time spent up to now is 185.7 secs Computing kpt #: 170 total cpu time spent up to now is 186.6 secs Computing kpt #: 171 total cpu time spent up to now is 187.6 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.5 secs Computing kpt #: 173 total cpu time spent up to now is 190.7 secs Computing kpt #: 174 total cpu time spent up to now is 191.8 secs Computing kpt #: 175 total cpu time spent up to now is 192.9 secs Computing kpt #: 176 total cpu time spent up to now is 193.8 secs Computing kpt #: 177 total cpu time spent up to now is 194.6 secs Computing kpt #: 178 total cpu time spent up to now is 195.4 secs Computing kpt #: 179 total cpu time spent up to now is 196.2 secs Computing kpt #: 180 total cpu time spent up to now is 197.0 secs Computing kpt #: 181 total cpu time spent up to now is 197.8 secs Computing kpt #: 182 total cpu time spent up to now is 198.9 secs Computing kpt #: 183 total cpu time spent up to now is 200.1 secs Computing kpt #: 184 total cpu time spent up to now is 201.2 secs Computing kpt #: 185 total cpu time spent up to now is 202.4 secs Computing kpt #: 186 total cpu time spent up to now is 203.2 secs Computing kpt #: 187 total cpu time spent up to now is 204.6 secs Computing kpt #: 188 total cpu time spent up to now is 205.7 secs Computing kpt #: 189 total cpu time spent up to now is 206.5 secs Computing kpt #: 190 total cpu time spent up to now is 207.8 secs Computing kpt #: 191 total cpu time spent up to now is 209.1 secs Computing kpt #: 192 total cpu time spent up to now is 210.2 secs Computing kpt #: 193 total cpu time spent up to now is 211.1 secs Computing kpt #: 194 total cpu time spent up to now is 212.2 secs Computing kpt #: 195 total cpu time spent up to now is 213.1 secs Computing kpt #: 196 total cpu time spent up to now is 214.1 secs Computing kpt #: 197 total cpu time spent up to now is 215.2 secs Computing kpt #: 198 total cpu time spent up to now is 216.5 secs Computing kpt #: 199 total cpu time spent up to now is 217.8 secs Computing kpt #: 200 total cpu time spent up to now is 219.4 secs Computing kpt #: 201 total cpu time spent up to now is 220.5 secs Computing kpt #: 202 total cpu time spent up to now is 221.7 secs Computing kpt #: 203 total cpu time spent up to now is 222.5 secs Computing kpt #: 204 total cpu time spent up to now is 223.7 secs Computing kpt #: 205 total cpu time spent up to now is 224.9 secs Computing kpt #: 206 total cpu time spent up to now is 225.8 secs Computing kpt #: 207 total cpu time spent up to now is 226.7 secs Computing kpt #: 208 total cpu time spent up to now is 227.6 secs Computing kpt #: 209 total cpu time spent up to now is 228.5 secs Computing kpt #: 210 total cpu time spent up to now is 229.4 secs Computing kpt #: 211 total cpu time spent up to now is 230.7 secs Computing kpt #: 212 total cpu time spent up to now is 231.8 secs Computing kpt #: 213 total cpu time spent up to now is 232.8 secs Computing kpt #: 214 total cpu time spent up to now is 234.5 secs Computing kpt #: 215 total cpu time spent up to now is 235.6 secs Computing kpt #: 216 total cpu time spent up to now is 236.6 secs Computing kpt #: 217 total cpu time spent up to now is 237.7 secs Computing kpt #: 218 total cpu time spent up to now is 238.7 secs Computing kpt #: 219 total cpu time spent up to now is 239.9 secs Computing kpt #: 220 total cpu time spent up to now is 241.2 secs Computing kpt #: 221 total cpu time spent up to now is 242.4 secs Computing kpt #: 222 total cpu time spent up to now is 243.5 secs Computing kpt #: 223 total cpu time spent up to now is 244.3 secs Computing kpt #: 224 total cpu time spent up to now is 245.2 secs Computing kpt #: 225 total cpu time spent up to now is 246.1 secs Computing kpt #: 226 total cpu time spent up to now is 247.1 secs Computing kpt #: 227 total cpu time spent up to now is 247.9 secs Computing kpt #: 228 total cpu time spent up to now is 248.8 secs Computing kpt #: 229 total cpu time spent up to now is 249.6 secs Computing kpt #: 230 total cpu time spent up to now is 250.5 secs Computing kpt #: 231 total cpu time spent up to now is 251.4 secs Computing kpt #: 232 total cpu time spent up to now is 252.6 secs Computing kpt #: 233 total cpu time spent up to now is 253.8 secs Computing kpt #: 234 total cpu time spent up to now is 255.1 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.1 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.1 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 238 total cpu time spent up to now is 262.4 secs Computing kpt #: 239 total cpu time spent up to now is 263.5 secs Computing kpt #: 240 total cpu time spent up to now is 264.7 secs Computing kpt #: 241 total cpu time spent up to now is 265.6 secs Computing kpt #: 242 total cpu time spent up to now is 266.5 secs Computing kpt #: 243 total cpu time spent up to now is 267.4 secs Computing kpt #: 244 total cpu time spent up to now is 268.2 secs Computing kpt #: 245 total cpu time spent up to now is 269.1 secs Computing kpt #: 246 total cpu time spent up to now is 270.1 secs Computing kpt #: 247 total cpu time spent up to now is 271.0 secs Computing kpt #: 248 total cpu time spent up to now is 271.9 secs Computing kpt #: 249 total cpu time spent up to now is 272.8 secs Computing kpt #: 250 total cpu time spent up to now is 273.7 secs Computing kpt #: 251 total cpu time spent up to now is 274.6 secs Computing kpt #: 252 total cpu time spent up to now is 275.5 secs Computing kpt #: 253 total cpu time spent up to now is 276.3 secs Computing kpt #: 254 total cpu time spent up to now is 277.2 secs Computing kpt #: 255 total cpu time spent up to now is 278.1 secs Computing kpt #: 256 total cpu time spent up to now is 279.0 secs Computing kpt #: 257 total cpu time spent up to now is 279.8 secs Computing kpt #: 258 total cpu time spent up to now is 280.7 secs Computing kpt #: 259 total cpu time spent up to now is 282.0 secs Computing kpt #: 260 total cpu time spent up to now is 282.9 secs Computing kpt #: 261 total cpu time spent up to now is 283.6 secs Computing kpt #: 262 total cpu time spent up to now is 284.4 secs Computing kpt #: 263 total cpu time spent up to now is 285.2 secs Computing kpt #: 264 total cpu time spent up to now is 286.0 secs Computing kpt #: 265 total cpu time spent up to now is 286.7 secs Computing kpt #: 266 total cpu time spent up to now is 287.5 secs Computing kpt #: 267 total cpu time spent up to now is 288.3 secs Computing kpt #: 268 total cpu time spent up to now is 289.1 secs Computing kpt #: 269 total cpu time spent up to now is 289.9 secs Computing kpt #: 270 total cpu time spent up to now is 290.6 secs Computing kpt #: 271 total cpu time spent up to now is 291.4 secs Computing kpt #: 272 total cpu time spent up to now is 292.2 secs Computing kpt #: 273 total cpu time spent up to now is 293.1 secs Computing kpt #: 274 total cpu time spent up to now is 293.9 secs Computing kpt #: 275 total cpu time spent up to now is 294.8 secs Computing kpt #: 276 total cpu time spent up to now is 296.1 secs Computing kpt #: 277 total cpu time spent up to now is 296.9 secs Computing kpt #: 278 total cpu time spent up to now is 298.2 secs Computing kpt #: 279 total cpu time spent up to now is 299.2 secs Computing kpt #: 280 total cpu time spent up to now is 300.1 secs ethr = 1.92E-08, avg # of iterations = 45.7 total cpu time spent up to now is 300.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5067 PWs) bands (ev): -26.0747 -26.0747 -26.0730 -26.0730 -9.0863 -9.0863 -9.0703 -9.0703 -8.0461 -8.0461 -8.0365 -8.0365 -7.9054 -7.9054 -7.8569 -7.8569 -0.9582 -0.9582 -0.4890 -0.4890 4.0708 4.0708 4.2183 4.2183 4.3264 4.3264 4.3798 4.3798 4.3920 4.3920 5.4072 5.4072 5.6101 5.6101 5.6723 5.6723 5.7781 5.7781 5.9334 5.9334 6.0641 6.0641 6.6609 6.6609 6.7091 6.7091 7.1314 7.1314 7.9465 7.9465 8.0932 8.0932 8.2935 8.2935 11.0775 11.0775 12.0970 12.0970 12.1858 12.1858 12.4847 12.5029 k = 0.0128 0.0074-0.0000 ( 5049 PWs) bands (ev): -26.0746 -26.0746 -26.0730 -26.0730 -9.0865 -9.0865 -9.0705 -9.0705 -8.0464 -8.0464 -8.0368 -8.0368 -7.9055 -7.9055 -7.8569 -7.8569 -0.9564 -0.9564 -0.4877 -0.4877 4.0715 4.0715 4.2186 4.2186 4.3264 4.3264 4.3805 4.3805 4.3919 4.3919 5.4077 5.4077 5.6101 5.6101 5.6726 5.6726 5.7777 5.7777 5.9330 5.9330 6.0641 6.0641 6.6052 6.6052 6.7523 6.7523 7.1462 7.1462 7.9450 7.9450 8.0941 8.0941 8.2910 8.2910 11.0837 11.0837 12.0665 12.0665 12.1943 12.1943 12.4772 12.4772 k = 0.0256 0.0148-0.0000 ( 5049 PWs) bands (ev): -26.0746 -26.0746 -26.0730 -26.0730 -9.0870 -9.0870 -9.0711 -9.0711 -8.0474 -8.0474 -8.0379 -8.0379 -7.9055 -7.9055 -7.8572 -7.8572 -0.9509 -0.9509 -0.4837 -0.4837 4.0738 4.0738 4.2196 4.2196 4.3265 4.3265 4.3827 4.3827 4.3917 4.3917 5.4091 5.4091 5.6101 5.6101 5.6735 5.6735 5.7767 5.7767 5.9319 5.9319 6.0642 6.0642 6.5231 6.5231 6.7991 6.7991 7.1887 7.1887 7.9403 7.9403 8.0968 8.0968 8.2838 8.2838 11.1015 11.1015 11.9982 11.9982 12.1989 12.1989 12.4588 12.4588 k = 0.0385 0.0222-0.0000 ( 5053 PWs) bands (ev): -26.0745 -26.0745 -26.0729 -26.0729 -9.0878 -9.0878 -9.0721 -9.0721 -8.0491 -8.0491 -8.0397 -8.0397 -7.9057 -7.9057 -7.8576 -7.8576 -0.9419 -0.9419 -0.4771 -0.4771 4.0777 4.0777 4.2211 4.2211 4.3265 4.3265 4.3863 4.3863 4.3913 4.3913 5.4115 5.4115 5.6101 5.6101 5.6749 5.6749 5.7749 5.7749 5.9302 5.9302 6.0645 6.0645 6.4351 6.4351 6.8346 6.8346 7.2528 7.2528 7.9319 7.9319 8.1013 8.1013 8.2732 8.2732 11.1291 11.1291 11.9110 11.9110 12.1858 12.1858 12.4379 12.4379 k = 0.0513 0.0296-0.0000 ( 5067 PWs) bands (ev): -26.0744 -26.0744 -26.0728 -26.0728 -9.0890 -9.0890 -9.0735 -9.0735 -8.0514 -8.0514 -8.0422 -8.0422 -7.9059 -7.9059 -7.8581 -7.8581 -0.9294 -0.9294 -0.4678 -0.4678 4.0830 4.0830 4.2233 4.2233 4.3264 4.3264 4.3895 4.3895 4.3927 4.3927 5.4147 5.4147 5.6101 5.6101 5.6768 5.6768 5.7723 5.7723 5.9278 5.9278 6.0648 6.0648 6.3448 6.3448 6.8626 6.8626 7.3309 7.3309 7.9192 7.9192 8.1075 8.1075 8.2610 8.2610 11.1621 11.1621 11.8148 11.8148 12.1539 12.1539 12.4213 12.4213 k = 0.0641 0.0370-0.0000 ( 5083 PWs) bands (ev): -26.0743 -26.0743 -26.0727 -26.0727 -9.0905 -9.0905 -9.0752 -9.0752 -8.0544 -8.0544 -8.0454 -8.0454 -7.9061 -7.9061 -7.8588 -7.8588 -0.9134 -0.9134 -0.4561 -0.4561 4.0897 4.0897 4.2262 4.2262 4.3263 4.3263 4.3892 4.3892 4.3991 4.3991 5.4187 5.4187 5.6100 5.6100 5.6791 5.6791 5.7689 5.7689 5.9250 5.9250 6.0652 6.0652 6.2544 6.2544 6.8869 6.8869 7.4162 7.4162 7.9019 7.9019 8.1154 8.1154 8.2494 8.2494 11.1919 11.1919 11.7209 11.7209 12.1073 12.1073 12.4111 12.4111 k = 0.0769 0.0444-0.0000 ( 5077 PWs) bands (ev): -26.0741 -26.0741 -26.0725 -26.0725 -9.0924 -9.0924 -9.0773 -9.0773 -8.0580 -8.0580 -8.0492 -8.0492 -7.9064 -7.9064 -7.8595 -7.8595 -0.8940 -0.8940 -0.4418 -0.4418 4.0978 4.0978 4.2296 4.2296 4.3261 4.3261 4.3882 4.3882 4.4074 4.4074 5.4236 5.4236 5.6099 5.6099 5.6816 5.6816 5.7644 5.7644 5.9217 5.9217 6.0656 6.0656 6.1656 6.1656 6.9103 6.9103 7.5028 7.5028 7.8810 7.8810 8.1250 8.1250 8.2404 8.2404 11.2014 11.2014 11.6470 11.6470 12.0520 12.0520 12.4063 12.4063 k = 0.0897 0.0518-0.0000 ( 5079 PWs) bands (ev): -26.0739 -26.0739 -26.0723 -26.0723 -9.0945 -9.0945 -9.0798 -9.0798 -8.0622 -8.0622 -8.0537 -8.0537 -7.9067 -7.9067 -7.8604 -7.8604 -0.8713 -0.8713 -0.4252 -0.4252 4.1070 4.1070 4.2336 4.2336 4.3258 4.3258 4.3869 4.3869 4.4175 4.4175 5.4290 5.4290 5.6098 5.6098 5.6837 5.6837 5.7587 5.7587 5.9180 5.9180 6.0634 6.0634 6.0825 6.0825 6.9341 6.9341 7.5829 7.5829 7.8612 7.8612 8.1363 8.1363 8.2354 8.2354 11.1674 11.1674 11.6149 11.6149 11.9947 11.9947 12.4052 12.4052 k = 0.1026 0.0592-0.0000 ( 5081 PWs) bands (ev): -26.0737 -26.0737 -26.0721 -26.0721 -9.0970 -9.0970 -9.0827 -9.0827 -8.0669 -8.0669 -8.0588 -8.0588 -7.9069 -7.9069 -7.8614 -7.8614 -0.8454 -0.8454 -0.4064 -0.4064 4.1174 4.1174 4.2383 4.2383 4.3254 4.3254 4.3855 4.3855 4.4291 4.4291 5.4350 5.4350 5.6097 5.6097 5.6845 5.6845 5.7513 5.7513 5.9134 5.9134 5.9983 5.9983 6.0686 6.0686 6.9592 6.9592 7.6402 7.6402 7.8572 7.8572 8.1499 8.1499 8.2349 8.2349 11.0854 11.0854 11.6231 11.6231 11.9447 11.9447 12.4062 12.4062 k = 0.1154 0.0666-0.0000 ( 5082 PWs) bands (ev): -26.0734 -26.0734 -26.0719 -26.0719 -9.0997 -9.0997 -9.0859 -9.0859 -8.0722 -8.0722 -8.0644 -8.0644 -7.9072 -7.9072 -7.8625 -7.8625 -0.8165 -0.8165 -0.3854 -0.3854 4.1286 4.1286 4.2437 4.2437 4.3249 4.3249 4.3839 4.3839 4.4425 4.4425 5.4410 5.4410 5.6095 5.6095 5.6809 5.6809 5.7422 5.7422 5.9021 5.9021 5.9343 5.9343 6.0693 6.0693 6.9860 6.9860 7.6519 7.6519 7.8904 7.8904 8.1665 8.1665 8.2391 8.2391 10.9732 10.9732 11.6381 11.6381 11.9192 11.9192 12.4050 12.4050 k = 0.1282 0.0740-0.0000 ( 5072 PWs) bands (ev): -26.0731 -26.0731 -26.0716 -26.0716 -9.1027 -9.1027 -9.0894 -9.0894 -8.0780 -8.0780 -8.0706 -8.0706 -7.9075 -7.9075 -7.8636 -7.8636 -0.7846 -0.7846 -0.3624 -0.3624 4.1405 4.1405 4.2497 4.2497 4.3244 4.3244 4.3821 4.3821 4.4574 4.4574 5.4465 5.4465 5.6094 5.6094 5.6660 5.6660 5.7335 5.7335 5.8607 5.8607 5.9151 5.9151 6.0705 6.0705 7.0146 7.0146 7.6246 7.6246 7.9520 7.9520 8.1884 8.1884 8.2478 8.2478 10.8469 10.8469 11.6243 11.6243 11.9387 11.9387 12.3802 12.3802 k = 0.1410 0.0814-0.0000 ( 5080 PWs) bands (ev): -26.0728 -26.0728 -26.0714 -26.0714 -9.1060 -9.1060 -9.0932 -9.0932 -8.0842 -8.0842 -8.0773 -8.0773 -7.9077 -7.9077 -7.8647 -7.8647 -0.7501 -0.7501 -0.3376 -0.3376 4.1527 4.1527 4.2565 4.2565 4.3238 4.3238 4.3802 4.3802 4.4741 4.4741 5.4497 5.4497 5.6090 5.6090 5.6330 5.6330 5.7287 5.7287 5.8249 5.8249 5.9108 5.9108 6.0719 6.0719 7.0450 7.0450 7.5792 7.5792 8.0161 8.0161 8.2200 8.2200 8.2611 8.2611 10.7147 10.7147 11.5784 11.5784 11.9974 11.9974 12.3250 12.3250 k = 0.1538 0.0888-0.0000 ( 5080 PWs) bands (ev): -26.0725 -26.0725 -26.0711 -26.0711 -9.1095 -9.1095 -9.0972 -9.0972 -8.0909 -8.0909 -8.0843 -8.0843 -7.9079 -7.9079 -7.8660 -7.8660 -0.7129 -0.7129 -0.3111 -0.3111 4.1649 4.1649 4.2640 4.2640 4.3233 4.3233 4.3783 4.3783 4.4924 4.4924 5.4463 5.4463 5.5876 5.5876 5.6102 5.6102 5.7271 5.7271 5.8054 5.8054 5.9084 5.9084 6.0736 6.0736 7.0773 7.0773 7.5261 7.5261 8.0664 8.0664 8.2615 8.2615 8.2850 8.2850 10.5814 10.5814 11.5159 11.5159 12.0703 12.0703 12.2563 12.2563 k = 0.1667 0.0962-0.0000 ( 5088 PWs) bands (ev): -26.0721 -26.0721 -26.0708 -26.0708 -9.1132 -9.1132 -9.1015 -9.1015 -8.0979 -8.0979 -8.0918 -8.0918 -7.9080 -7.9080 -7.8672 -7.8672 -0.6734 -0.6734 -0.2831 -0.2831 4.1766 4.1766 4.2721 4.2721 4.3232 4.3232 4.3764 4.3764 4.5125 4.5125 5.4260 5.4260 5.5524 5.5524 5.6100 5.6100 5.7262 5.7262 5.7971 5.7971 5.9071 5.9071 6.0756 6.0756 7.1112 7.1112 7.4692 7.4692 8.0976 8.0976 8.2886 8.2886 8.3439 8.3439 10.4496 10.4496 11.4466 11.4466 12.1015 12.1015 12.2204 12.2204 k = 0.1795 0.1036-0.0000 ( 5090 PWs) bands (ev): -26.0718 -26.0718 -26.0704 -26.0704 -9.1172 -9.1172 -9.1061 -9.1061 -8.1052 -8.1052 -8.0995 -8.0995 -7.9081 -7.9081 -7.8684 -7.8684 -0.6317 -0.6317 -0.2538 -0.2538 4.1873 4.1873 4.2804 4.2804 4.3239 4.3239 4.3746 4.3746 4.5344 4.5344 5.3818 5.3818 5.5385 5.5385 5.6104 5.6104 5.7245 5.7245 5.7959 5.7959 5.9066 5.9066 6.0777 6.0777 7.1463 7.1463 7.4109 7.4109 8.1139 8.1139 8.3110 8.3110 8.4218 8.4218 10.3215 10.3215 11.3744 11.3744 12.0225 12.0225 12.2814 12.2814 k = 0.1923 0.1110-0.0000 ( 5092 PWs) bands (ev): -26.0714 -26.0714 -26.0701 -26.0701 -9.1213 -9.1213 -9.1109 -9.1109 -8.1128 -8.1128 -8.1075 -8.1075 -7.9082 -7.9082 -7.8697 -7.8697 -0.5881 -0.5881 -0.2234 -0.2234 4.1967 4.1967 4.2879 4.2879 4.3263 4.3263 4.3733 4.3733 4.5580 4.5580 5.3234 5.3234 5.5393 5.5393 5.6111 5.6111 5.7219 5.7219 5.7993 5.7993 5.9070 5.9070 6.0801 6.0801 7.1816 7.1816 7.3532 7.3532 8.1199 8.1199 8.3348 8.3348 8.5057 8.5057 10.1989 10.1989 11.3014 11.3014 11.9104 11.9104 12.3585 12.3585 k = 0.2051 0.1184-0.0000 ( 5084 PWs) bands (ev): -26.0710 -26.0710 -26.0698 -26.0698 -9.1256 -9.1256 -9.1158 -9.1158 -8.1205 -8.1205 -8.1157 -8.1157 -7.9082 -7.9082 -7.8709 -7.8709 -0.5427 -0.5427 -0.1920 -0.1920 4.2045 4.2045 4.2932 4.2932 4.3312 4.3312 4.3730 4.3730 4.5834 4.5834 5.2608 5.2608 5.5463 5.5463 5.6121 5.6121 5.7187 5.7187 5.8058 5.8058 5.9081 5.9081 6.0828 6.0828 7.2129 7.2129 7.3007 7.3007 8.1176 8.1176 8.3605 8.3605 8.5913 8.5913 10.0834 10.0834 11.2287 11.2287 11.7873 11.7873 12.4202 12.4202 k = 0.2179 0.1258-0.0000 ( 5084 PWs) bands (ev): -26.0706 -26.0706 -26.0694 -26.0694 -9.1301 -9.1301 -9.1209 -9.1209 -8.1284 -8.1284 -8.1240 -8.1240 -7.9082 -7.9082 -7.8722 -7.8722 -0.4959 -0.4959 -0.1600 -0.1600 4.2104 4.2104 4.2957 4.2957 4.3380 4.3380 4.3749 4.3749 4.6106 4.6106 5.1981 5.1981 5.5560 5.5560 5.6136 5.6136 5.7155 5.7155 5.8144 5.8144 5.9101 5.9101 6.0857 6.0857 7.2098 7.2098 7.2842 7.2842 8.1077 8.1077 8.3881 8.3881 8.6765 8.6765 9.9766 9.9766 11.1568 11.1568 11.6581 11.6581 12.4388 12.4388 k = 0.2308 0.1332-0.0000 ( 5076 PWs) bands (ev): -26.0702 -26.0702 -26.0690 -26.0690 -9.1346 -9.1346 -9.1261 -9.1261 -8.1364 -8.1364 -8.1323 -8.1323 -7.9081 -7.9081 -7.8734 -7.8734 -0.4479 -0.4479 -0.1274 -0.1274 4.2143 4.2143 4.2960 4.2960 4.3440 4.3440 4.3807 4.3807 4.6395 4.6395 5.1373 5.1373 5.5671 5.5671 5.6157 5.6157 5.7129 5.7129 5.8244 5.8244 5.9130 5.9130 6.0888 6.0888 7.1623 7.1623 7.3137 7.3137 8.0898 8.0898 8.4174 8.4174 8.7602 8.7602 9.8799 9.8799 11.0862 11.0862 11.5256 11.5256 12.4345 12.4345 k = 0.2436 0.1406-0.0000 ( 5076 PWs) bands (ev): -26.0698 -26.0698 -26.0687 -26.0687 -9.1392 -9.1392 -9.1313 -9.1313 -8.1444 -8.1444 -8.1407 -8.1407 -7.9079 -7.9079 -7.8747 -7.8747 -0.3990 -0.3990 -0.0946 -0.0946 4.2162 4.2162 4.2951 4.2951 4.3472 4.3472 4.3914 4.3914 4.6699 4.6699 5.0796 5.0796 5.5788 5.5788 5.6186 5.6186 5.7110 5.7110 5.8353 5.8353 5.9166 5.9166 6.0923 6.0923 7.1079 7.1079 7.3513 7.3513 8.0637 8.0637 8.4484 8.4484 8.8416 8.8416 9.7946 9.7946 11.0170 11.0170 11.3918 11.3918 12.4212 12.4212 k = 0.2564 0.1480-0.0000 ( 5084 PWs) bands (ev): -26.0694 -26.0694 -26.0683 -26.0683 -9.1439 -9.1439 -9.1366 -9.1366 -8.1524 -8.1524 -8.1490 -8.1490 -7.9077 -7.9077 -7.8759 -7.8759 -0.3494 -0.3494 -0.0617 -0.0617 4.2160 4.2160 4.2935 4.2935 4.3481 4.3481 4.4055 4.4055 4.7014 4.7014 5.0258 5.0258 5.5903 5.5903 5.6228 5.6228 5.7103 5.7103 5.8468 5.8468 5.9211 5.9211 6.0959 6.0959 7.0532 7.0532 7.3898 7.3898 8.0292 8.0292 8.4809 8.4809 8.9203 8.9203 9.7217 9.7217 10.9495 10.9495 11.2584 11.2584 12.4004 12.4004 k = 0.2692 0.1554-0.0000 ( 5088 PWs) bands (ev): -26.0690 -26.0690 -26.0680 -26.0680 -9.1486 -9.1486 -9.1420 -9.1420 -8.1603 -8.1603 -8.1572 -8.1572 -7.9075 -7.9075 -7.8771 -7.8771 -0.2994 -0.2994 -0.0290 -0.0290 4.2136 4.2136 4.2914 4.2914 4.3480 4.3480 4.4213 4.4213 4.7333 4.7333 4.9772 4.9772 5.6007 5.6007 5.6290 5.6290 5.7109 5.7109 5.8588 5.8588 5.9265 5.9265 6.0999 6.0999 6.9994 6.9994 7.4271 7.4271 7.9871 7.9871 8.5147 8.5147 8.9958 8.9958 9.6618 9.6618 10.8836 10.8836 11.1271 11.1271 12.3726 12.3726 k = 0.2821 0.1628-0.0000 ( 5084 PWs) bands (ev): -26.0686 -26.0686 -26.0676 -26.0676 -9.1533 -9.1533 -9.1472 -9.1472 -8.1681 -8.1681 -8.1652 -8.1652 -7.9072 -7.9072 -7.8782 -7.8782 -0.2494 -0.2494 0.0033 0.0033 4.2091 4.2091 4.2890 4.2890 4.3475 4.3475 4.4377 4.4377 4.7632 4.7632 4.9364 4.9364 5.6092 5.6092 5.6383 5.6383 5.7130 5.7130 5.8709 5.8709 5.9326 5.9326 6.1041 6.1041 6.9469 6.9469 7.4610 7.4610 7.9389 7.9389 8.5495 8.5495 9.0678 9.0678 9.6150 9.6150 10.8189 10.8189 10.9995 10.9995 12.3380 12.3380 k = 0.2949 0.1702-0.0000 ( 5080 PWs) bands (ev): -26.0682 -26.0682 -26.0672 -26.0672 -9.1580 -9.1580 -9.1525 -9.1525 -8.1758 -8.1758 -8.1729 -8.1729 -7.9069 -7.9069 -7.8794 -7.8794 -0.1997 -0.1997 0.0351 0.0351 4.2024 4.2024 4.2862 4.2862 4.3471 4.3471 4.4538 4.4538 4.7849 4.7849 4.9098 4.9098 5.6160 5.6160 5.6504 5.6504 5.7166 5.7166 5.8831 5.8831 5.9396 5.9396 6.1086 6.1086 6.8956 6.8956 7.4880 7.4880 7.8885 7.8885 8.5852 8.5852 9.1360 9.1360 9.5810 9.5810 10.7537 10.7537 10.8785 10.8785 12.2976 12.2976 k = 0.3077 0.1776-0.0000 ( 5088 PWs) bands (ev): -26.0678 -26.0678 -26.0669 -26.0669 -9.1625 -9.1625 -9.1576 -9.1576 -8.1832 -8.1832 -8.1804 -8.1804 -7.9065 -7.9065 -7.8805 -7.8805 -0.1505 -0.1505 0.0660 0.0660 4.1938 4.1938 4.2830 4.2830 4.3467 4.3467 4.4694 4.4694 4.7869 4.7869 4.9090 4.9090 5.6221 5.6221 5.6647 5.6647 5.7217 5.7217 5.8952 5.8952 5.9474 5.9474 6.1134 6.1134 6.8457 6.8457 7.5018 7.5018 7.8427 7.8427 8.6215 8.6215 9.1999 9.1999 9.5591 9.5591 10.6824 10.6824 10.7707 10.7707 12.2521 12.2521 k = 0.3205 0.1850-0.0000 ( 5098 PWs) bands (ev): -26.0674 -26.0674 -26.0666 -26.0666 -9.1670 -9.1670 -9.1626 -9.1626 -8.1903 -8.1903 -8.1876 -8.1876 -7.9061 -7.9061 -7.8816 -7.8816 -0.1023 -0.1023 0.0959 0.0959 4.1832 4.1832 4.2793 4.2793 4.3466 4.3466 4.4841 4.4841 4.7706 4.7706 4.9326 4.9326 5.6282 5.6282 5.6807 5.6807 5.7281 5.7281 5.9072 5.9072 5.9558 5.9558 6.1185 6.1185 6.7969 6.7969 7.4931 7.4931 7.8118 7.8118 8.6582 8.6582 9.2590 9.2590 9.5484 9.5484 10.5947 10.5947 10.6874 10.6874 12.2028 12.2028 k = 0.3333 0.1925-0.0000 ( 5100 PWs) bands (ev): -26.0671 -26.0671 -26.0663 -26.0663 -9.1714 -9.1714 -9.1673 -9.1673 -8.1972 -8.1972 -8.1944 -8.1944 -7.9057 -7.9057 -7.8826 -7.8826 -0.0553 -0.0553 0.1245 0.1245 4.1708 4.1708 4.2751 4.2751 4.3468 4.3468 4.4975 4.4975 4.7490 4.7490 4.9672 4.9672 5.6348 5.6348 5.6982 5.6982 5.7358 5.7358 5.9191 5.9191 5.9648 5.9648 6.1239 6.1239 6.7492 6.7492 7.4553 7.4553 7.8034 7.8034 8.6948 8.6948 9.3127 9.3127 9.5478 9.5478 10.4949 10.4949 10.6252 10.6252 12.1508 12.1508 k = 0.3462 0.1999-0.0000 ( 5100 PWs) bands (ev): -26.0667 -26.0667 -26.0659 -26.0659 -9.1756 -9.1756 -9.1719 -9.1719 -8.2037 -8.2037 -8.2009 -8.2009 -7.9052 -7.9052 -7.8837 -7.8837 -0.0098 -0.0098 0.1518 0.1518 4.1568 4.1568 4.2706 4.2706 4.3472 4.3472 4.5095 4.5095 4.7286 4.7286 5.0060 5.0060 5.6423 5.6423 5.7173 5.7173 5.7446 5.7446 5.9310 5.9310 5.9741 5.9741 6.1295 6.1295 6.7026 6.7026 7.3925 7.3925 7.8143 7.8143 8.7312 8.7312 9.3605 9.3605 9.5563 9.5563 10.3948 10.3948 10.5729 10.5729 12.0969 12.0969 k = 0.3590 0.2073-0.0000 ( 5100 PWs) bands (ev): -26.0664 -26.0664 -26.0657 -26.0657 -9.1797 -9.1797 -9.1762 -9.1762 -8.2099 -8.2099 -8.2069 -8.2069 -7.9047 -7.9047 -7.8847 -7.8847 0.0337 0.0337 0.1774 0.1774 4.1415 4.1415 4.2657 4.2657 4.3479 4.3479 4.5199 4.5199 4.7115 4.7115 5.0461 5.0461 5.6506 5.6506 5.7384 5.7384 5.7543 5.7543 5.9432 5.9432 5.9836 5.9836 6.1354 6.1354 6.6568 6.6568 7.3140 7.3140 7.8363 7.8363 8.7669 8.7669 9.4021 9.4021 9.5726 9.5726 10.2995 10.2995 10.5264 10.5264 12.0311 12.0311 k = 0.3718 0.2147-0.0000 ( 5106 PWs) bands (ev): -26.0661 -26.0661 -26.0654 -26.0654 -9.1835 -9.1835 -9.1803 -9.1803 -8.2156 -8.2156 -8.2125 -8.2125 -7.9042 -7.9042 -7.8856 -7.8856 0.0749 0.0749 0.2013 0.2013 4.1254 4.1254 4.2607 4.2607 4.3488 4.3488 4.5285 4.5285 4.6981 4.6981 5.0860 5.0860 5.6597 5.6597 5.7617 5.7617 5.7648 5.7648 5.9559 5.9559 5.9930 5.9930 6.1416 6.1416 6.6118 6.6118 7.2264 7.2264 7.8633 7.8633 8.8015 8.8015 9.4378 9.4378 9.5946 9.5946 10.2111 10.2111 10.4843 10.4843 11.9470 11.9470 k = 0.3846 0.2221-0.0000 ( 5108 PWs) bands (ev): -26.0658 -26.0658 -26.0652 -26.0652 -9.1871 -9.1871 -9.1840 -9.1840 -8.2209 -8.2209 -8.2176 -8.2176 -7.9037 -7.9037 -7.8865 -7.8865 0.1136 0.1136 0.2232 0.2232 4.1087 4.1087 4.2556 4.2556 4.3498 4.3498 4.5353 4.5353 4.6885 4.6885 5.1246 5.1246 5.6694 5.6694 5.7758 5.7758 5.7880 5.7880 5.9693 5.9693 6.0023 6.0023 6.1479 6.1479 6.5675 6.5675 7.1340 7.1340 7.8918 7.8918 8.8346 8.8346 9.4688 9.4688 9.6196 9.6196 10.1309 10.1309 10.4462 10.4462 11.8663 11.8663 k = 0.3974 0.2295-0.0000 ( 5114 PWs) bands (ev): -26.0655 -26.0655 -26.0649 -26.0649 -9.1904 -9.1904 -9.1874 -9.1874 -8.2256 -8.2256 -8.2222 -8.2222 -7.9032 -7.9032 -7.8874 -7.8874 0.1494 0.1494 0.2430 0.2430 4.0921 4.0921 4.2507 4.2507 4.3509 4.3509 4.5406 4.5406 4.6822 4.6822 5.1609 5.1609 5.6793 5.6793 5.7872 5.7872 5.8177 5.8177 5.9837 5.9837 6.0116 6.0116 6.1544 6.1544 6.5240 6.5240 7.0391 7.0391 7.9201 7.9201 8.8658 8.8658 9.4962 9.4962 9.6447 9.6447 10.0598 10.0598 10.4120 10.4120 11.7911 11.7911 k = 0.4103 0.2369-0.0000 ( 5110 PWs) bands (ev): -26.0653 -26.0653 -26.0647 -26.0647 -9.1934 -9.1934 -9.1904 -9.1904 -8.2299 -8.2299 -8.2264 -8.2264 -7.9026 -7.9026 -7.8883 -7.8883 0.1821 0.1821 0.2606 0.2606 4.0759 4.0759 4.2461 4.2461 4.3521 4.3521 4.5444 4.5444 4.6785 4.6785 5.1942 5.1942 5.6890 5.6890 5.7986 5.7986 5.8513 5.8513 5.9986 5.9986 6.0216 6.0216 6.1609 6.1609 6.4811 6.4811 6.9434 6.9434 7.9467 7.9467 8.8946 8.8946 9.5209 9.5209 9.6671 9.6671 9.9991 9.9991 10.3818 10.3818 11.7226 11.7226 k = 0.4231 0.2443-0.0000 ( 5114 PWs) bands (ev): -26.0650 -26.0650 -26.0646 -26.0646 -9.1961 -9.1961 -9.1930 -9.1930 -8.2337 -8.2337 -8.2300 -8.2300 -7.9021 -7.9021 -7.8890 -7.8890 0.2114 0.2114 0.2758 0.2758 4.0609 4.0609 4.2419 4.2419 4.3533 4.3533 4.5471 4.5471 4.6768 4.6768 5.2236 5.2236 5.6980 5.6980 5.8096 5.8096 5.8891 5.8891 6.0119 6.0119 6.0349 6.0349 6.1676 6.1676 6.4392 6.4392 6.8480 6.8480 7.9711 7.9711 8.9206 8.9206 9.5433 9.5433 9.6839 9.6839 9.9503 9.9503 10.3554 10.3554 11.6617 11.6617 k = 0.4359 0.2517-0.0000 ( 5120 PWs) bands (ev): -26.0649 -26.0649 -26.0644 -26.0644 -9.1984 -9.1984 -9.1953 -9.1953 -8.2368 -8.2368 -8.2331 -8.2331 -7.9016 -7.9016 -7.8897 -7.8897 0.2370 0.2370 0.2884 0.2884 4.0473 4.0473 4.2382 4.2382 4.3545 4.3545 4.5489 4.5489 4.6764 4.6764 5.2487 5.2487 5.7058 5.7058 5.8196 5.8196 5.9307 5.9307 6.0214 6.0214 6.0542 6.0542 6.1747 6.1747 6.3984 6.3984 6.7540 6.7540 7.9925 7.9925 8.9434 8.9434 9.5636 9.5636 9.6928 9.6928 9.9148 9.9148 10.3330 10.3330 11.6090 11.6090 k = 0.4487 0.2591-0.0000 ( 5110 PWs) bands (ev): -26.0647 -26.0647 -26.0643 -26.0643 -9.2003 -9.2003 -9.1971 -9.1971 -8.2395 -8.2395 -8.2356 -8.2356 -7.9012 -7.9012 -7.8904 -7.8904 0.2588 0.2588 0.2983 0.2983 4.0356 4.0356 4.2351 4.2351 4.3555 4.3555 4.5502 4.5502 4.6768 4.6768 5.2693 5.2693 5.7124 5.7124 5.8284 5.8284 5.9745 5.9745 6.0277 6.0277 6.0789 6.0789 6.1832 6.1832 6.3593 6.3593 6.6621 6.6621 8.0106 8.0106 8.9626 8.9626 9.5816 9.5816 9.6927 9.6927 9.8931 9.8931 10.3146 10.3146 11.5652 11.5652 k = 0.4615 0.2665-0.0000 ( 5100 PWs) bands (ev): -26.0646 -26.0646 -26.0642 -26.0642 -9.2019 -9.2019 -9.1986 -9.1986 -8.2415 -8.2415 -8.2376 -8.2376 -7.9008 -7.9008 -7.8909 -7.8909 0.2768 0.2768 0.3054 0.3054 4.0261 4.0261 4.2326 4.2326 4.3563 4.3563 4.5511 4.5511 4.6775 4.6775 5.2852 5.2852 5.7176 5.7176 5.8355 5.8355 6.0177 6.0177 6.0324 6.0324 6.1054 6.1054 6.1968 6.1968 6.3231 6.3231 6.5732 6.5732 8.0250 8.0250 8.9779 8.9779 9.5973 9.5973 9.6854 9.6854 9.8827 9.8827 10.3002 10.3002 11.5307 11.5307 k = 0.4744 0.2739-0.0000 ( 5098 PWs) bands (ev): -26.0645 -26.0645 -26.0641 -26.0641 -9.2030 -9.2030 -9.1997 -9.1997 -8.2430 -8.2430 -8.2390 -8.2390 -7.9005 -7.9005 -7.8913 -7.8913 0.2908 0.2908 0.3094 0.3094 4.0192 4.0192 4.2308 4.2308 4.3569 4.3569 4.5516 4.5516 4.6782 4.6782 5.2965 5.2965 5.7213 5.7213 5.8407 5.8407 6.0344 6.0344 6.0586 6.0586 6.1253 6.1253 6.2234 6.2234 6.2920 6.2920 6.4881 6.4881 8.0355 8.0355 8.9890 8.9890 9.6104 9.6104 9.6748 9.6748 9.8792 9.8792 10.2899 10.2899 11.5058 11.5058 k = 0.4872 0.2813-0.0000 ( 5098 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2036 -9.2036 -9.2003 -9.2003 -8.2439 -8.2439 -8.2399 -8.2399 -7.9003 -7.9003 -7.8916 -7.8916 0.3010 0.3010 0.3101 0.3101 4.0149 4.0149 4.2297 4.2297 4.3573 4.3573 4.5519 4.5519 4.6787 4.6787 5.3032 5.3032 5.7235 5.7235 5.8438 5.8438 6.0363 6.0363 6.0919 6.0919 6.1298 6.1298 6.2613 6.2613 6.2784 6.2784 6.4082 6.4082 8.0418 8.0418 8.9958 8.9958 9.6203 9.6203 9.6650 9.6650 9.8787 9.8787 10.2838 10.2838 11.4908 11.4908 k = 0.5000 0.2887-0.0000 ( 5102 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2005 -9.2005 -8.2442 -8.2442 -8.2402 -8.2402 -7.9002 -7.9002 -7.8916 -7.8916 0.3068 0.3068 0.3079 0.3079 4.0135 4.0135 4.2293 4.2293 4.3574 4.3574 4.5520 4.5520 4.6788 4.6788 5.3054 5.3054 5.7243 5.7243 5.8449 5.8449 6.0369 6.0369 6.1122 6.1122 6.1223 6.1223 6.2582 6.2582 6.3345 6.3345 6.3365 6.3365 8.0440 8.0440 8.9981 8.9981 9.6244 9.6244 9.6607 9.6607 9.8787 9.8787 10.2817 10.2817 11.4858 11.4858 k = 0.5000 0.2887-0.0000 ( 5102 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2005 -9.2005 -8.2442 -8.2442 -8.2402 -8.2402 -7.9002 -7.9002 -7.8916 -7.8916 0.3068 0.3068 0.3079 0.3079 4.0135 4.0135 4.2293 4.2293 4.3574 4.3574 4.5520 4.5520 4.6788 4.6788 5.3054 5.3054 5.7243 5.7243 5.8449 5.8449 6.0369 6.0369 6.1122 6.1122 6.1223 6.1223 6.2582 6.2582 6.3345 6.3345 6.3365 6.3365 8.0440 8.0440 8.9981 8.9981 9.6244 9.6244 9.6607 9.6607 9.8787 9.8787 10.2817 10.2817 11.4858 11.4858 k = 0.4928 0.3012-0.0000 ( 5092 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2062 -9.2062 -9.1982 -9.1982 -8.2482 -8.2482 -8.2364 -8.2364 -7.9004 -7.9004 -7.8916 -7.8916 0.3047 0.3047 0.3113 0.3113 4.0144 4.0144 4.2298 4.2298 4.3574 4.3574 4.5521 4.5521 4.6788 4.6788 5.3059 5.3059 5.7226 5.7226 5.8436 5.8436 6.0306 6.0306 6.1089 6.1089 6.1343 6.1343 6.2574 6.2574 6.3272 6.3272 6.3480 6.3480 8.0393 8.0393 8.9900 8.9900 9.5834 9.5834 9.6838 9.6838 9.8754 9.8754 10.3158 10.3158 11.4831 11.4831 k = 0.4855 0.3138-0.0000 ( 5084 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2096 -9.2096 -9.1948 -9.1948 -8.2539 -8.2539 -8.2313 -8.2313 -7.9011 -7.9011 -7.8913 -7.8913 0.3034 0.3034 0.3164 0.3164 4.0172 4.0172 4.2314 4.2314 4.3571 4.3571 4.5523 4.5523 4.6786 4.6786 5.3072 5.3072 5.7174 5.7174 5.8400 5.8400 6.0162 6.0162 6.1066 6.1066 6.1579 6.1579 6.2548 6.2548 6.3219 6.3219 6.3656 6.3656 8.0254 8.0254 8.9667 8.9667 9.5039 9.5039 9.7147 9.7147 9.8746 9.8746 10.4028 10.4028 11.4754 11.4754 k = 0.4783 0.3263-0.0000 ( 5088 PWs) bands (ev): -26.0644 -26.0644 -26.0640 -26.0640 -9.2132 -9.2132 -9.1914 -9.1914 -8.2599 -8.2599 -8.2264 -8.2264 -7.9020 -7.9020 -7.8909 -7.8909 0.3033 0.3033 0.3227 0.3227 4.0218 4.0218 4.2340 4.2340 4.3567 4.3567 4.5526 4.5526 4.6783 4.6783 5.3094 5.3094 5.7090 5.7090 5.8344 5.8344 6.0001 6.0001 6.1051 6.1051 6.1868 6.1868 6.2509 6.2509 6.3183 6.3183 6.3889 6.3889 8.0030 8.0030 8.9299 8.9299 9.4027 9.4027 9.7488 9.7488 9.8850 9.8850 10.5192 10.5192 11.4630 11.4630 k = 0.4710 0.3389-0.0000 ( 5096 PWs) bands (ev): -26.0643 -26.0643 -26.0640 -26.0640 -9.2169 -9.2169 -9.1880 -9.1880 -8.2660 -8.2660 -8.2217 -8.2217 -7.9033 -7.9033 -7.8906 -7.8906 0.3045 0.3045 0.3301 0.3301 4.0280 4.0280 4.2376 4.2376 4.3561 4.3561 4.5530 4.5530 4.6782 4.6782 5.3125 5.3125 5.6975 5.6975 5.8273 5.8273 5.9848 5.9848 6.1038 6.1038 6.2166 6.2166 6.2479 6.2479 6.3161 6.3161 6.4176 6.4176 7.9730 7.9730 8.8821 8.8821 9.2895 9.2895 9.7873 9.7873 9.9064 9.9064 10.6512 10.6512 11.4465 11.4465 k = 0.4638 0.3514-0.0000 ( 5098 PWs) bands (ev): -26.0643 -26.0643 -26.0640 -26.0640 -9.2204 -9.2204 -9.1848 -9.1848 -8.2723 -8.2723 -8.2173 -8.2173 -7.9047 -7.9047 -7.8902 -7.8902 0.3068 0.3068 0.3387 0.3387 4.0359 4.0359 4.2420 4.2420 4.3553 4.3553 4.5535 4.5535 4.6784 4.6784 5.3165 5.3165 5.6832 5.6832 5.8194 5.8194 5.9716 5.9716 6.1024 6.1024 6.2279 6.2279 6.2626 6.2626 6.3168 6.3168 6.4511 6.4511 7.9367 7.9367 8.8253 8.8253 9.1709 9.1709 9.8296 9.8296 9.9365 9.9365 10.7919 10.7919 11.4267 11.4267 k = 0.4565 0.3640-0.0000 ( 5098 PWs) bands (ev): -26.0642 -26.0642 -26.0639 -26.0639 -9.2240 -9.2240 -9.1816 -9.1816 -8.2786 -8.2786 -8.2132 -8.2132 -7.9062 -7.9062 -7.8899 -7.8899 0.3103 0.3103 0.3482 0.3482 4.0452 4.0452 4.2471 4.2471 4.3543 4.3543 4.5541 4.5541 4.6792 4.6792 5.3213 5.3213 5.6666 5.6666 5.8111 5.8111 5.9607 5.9607 6.1007 6.1007 6.2208 6.2208 6.2860 6.2860 6.3287 6.3287 6.4886 6.4886 7.8952 7.8952 8.7609 8.7609 9.0506 9.0506 9.8746 9.8746 9.9733 9.9733 10.9372 10.9372 11.4050 11.4050 k = 0.4493 0.3765-0.0000 ( 5096 PWs) bands (ev): -26.0642 -26.0642 -26.0639 -26.0639 -9.2275 -9.2275 -9.1785 -9.1785 -8.2849 -8.2849 -8.2094 -8.2094 -7.9079 -7.9079 -7.8896 -7.8896 0.3148 0.3148 0.3585 0.3585 4.0559 4.0559 4.2528 4.2528 4.3530 4.3530 4.5547 4.5547 4.6809 4.6809 5.3269 5.3269 5.6483 5.6483 5.8029 5.8029 5.9519 5.9519 6.0987 6.0987 6.2098 6.2098 6.2927 6.2927 6.3624 6.3624 6.5295 6.5295 7.8500 7.8500 8.6900 8.6900 8.9311 8.9311 9.9210 9.9210 10.0152 10.0152 11.0831 11.0831 11.3838 11.3838 k = 0.4420 0.3891-0.0000 ( 5103 PWs) bands (ev): -26.0641 -26.0641 -26.0638 -26.0638 -9.2309 -9.2309 -9.1756 -9.1756 -8.2912 -8.2912 -8.2059 -8.2059 -7.9096 -7.9096 -7.8894 -7.8894 0.3201 0.3201 0.3696 0.3696 4.0676 4.0676 4.2590 4.2590 4.3515 4.3515 4.5551 4.5551 4.6839 4.6839 5.3331 5.3331 5.6288 5.6288 5.7953 5.7953 5.9450 5.9450 6.0964 6.0964 6.1969 6.1969 6.2917 6.2917 6.4070 6.4070 6.5731 6.5731 7.8023 7.8023 8.6130 8.6130 8.8141 8.8141 9.9679 9.9679 10.0613 10.0613 11.2172 11.2172 11.3736 11.3736 k = 0.4348 0.4016-0.0000 ( 5103 PWs) bands (ev): -26.0640 -26.0640 -26.0637 -26.0637 -9.2342 -9.2342 -9.1729 -9.1729 -8.2974 -8.2974 -8.2027 -8.2027 -7.9114 -7.9114 -7.8893 -7.8893 0.3263 0.3263 0.3812 0.3812 4.0802 4.0802 4.2654 4.2654 4.3496 4.3496 4.5553 4.5553 4.6888 4.6888 5.3396 5.3396 5.6090 5.6090 5.7884 5.7884 5.9396 5.9396 6.0936 6.0936 6.1827 6.1827 6.2887 6.2887 6.4563 6.4563 6.6189 6.6189 7.7534 7.7534 8.5301 8.5301 8.7010 8.7010 10.0146 10.0146 10.1108 10.1108 11.2800 11.2800 11.4231 11.4231 k = 0.4275 0.4142-0.0000 ( 5097 PWs) bands (ev): -26.0640 -26.0640 -26.0637 -26.0637 -9.2374 -9.2374 -9.1703 -9.1703 -8.3035 -8.3035 -8.1998 -8.1998 -7.9131 -7.9131 -7.8892 -7.8892 0.3332 0.3332 0.3933 0.3933 4.0935 4.0935 4.2718 4.2718 4.3474 4.3474 4.5550 4.5550 4.6959 4.6959 5.3459 5.3459 5.5898 5.5898 5.7825 5.7825 5.9352 5.9352 6.0903 6.0903 6.1675 6.1675 6.2848 6.2848 6.5089 6.5089 6.6666 6.6666 7.7045 7.7045 8.4413 8.4413 8.5927 8.5927 10.0601 10.0601 10.1631 10.1631 11.2702 11.2702 11.4562 11.4562 k = 0.4203 0.4267-0.0000 ( 5095 PWs) bands (ev): -26.0639 -26.0639 -26.0636 -26.0636 -9.2405 -9.2405 -9.1680 -9.1680 -8.3094 -8.3094 -8.1973 -8.1973 -7.9149 -7.9149 -7.8892 -7.8892 0.3406 0.3406 0.4057 0.4057 4.1072 4.1072 4.2782 4.2782 4.3450 4.3450 4.5540 4.5540 4.7056 4.7056 5.3512 5.3512 5.5722 5.5722 5.7776 5.7776 5.9314 5.9314 6.0862 6.0862 6.1521 6.1521 6.2804 6.2804 6.5644 6.5644 6.7157 6.7157 7.6565 7.6565 8.3473 8.3473 8.4897 8.4897 10.1040 10.1040 10.2176 10.2176 11.2472 11.2472 11.4344 11.4344 k = 0.4130 0.4393-0.0000 ( 5097 PWs) bands (ev): -26.0638 -26.0638 -26.0635 -26.0635 -9.2435 -9.2435 -9.1658 -9.1658 -8.3151 -8.3151 -8.1950 -8.1950 -7.9166 -7.9166 -7.8892 -7.8892 0.3484 0.3484 0.4181 0.4181 4.1210 4.1210 4.2842 4.2842 4.3424 4.3424 4.5524 4.5524 4.7182 4.7182 5.3543 5.3543 5.5576 5.5576 5.7736 5.7736 5.9277 5.9277 6.0812 6.0812 6.1370 6.1370 6.2757 6.2757 6.6225 6.6225 6.7660 6.7660 7.6104 7.6104 8.2494 8.2494 8.3912 8.3912 10.1459 10.1459 10.2741 10.2741 11.2220 11.2220 11.4056 11.4056 k = 0.4058 0.4518-0.0000 ( 5105 PWs) bands (ev): -26.0637 -26.0637 -26.0634 -26.0634 -9.2462 -9.2462 -9.1638 -9.1638 -8.3206 -8.3206 -8.1931 -8.1931 -7.9182 -7.9182 -7.8892 -7.8892 0.3564 0.3564 0.4305 0.4305 4.1349 4.1349 4.2897 4.2897 4.3396 4.3396 4.5500 4.5500 4.7336 4.7336 5.3537 5.3537 5.5478 5.5478 5.7706 5.7706 5.9237 5.9237 6.0748 6.0748 6.1233 6.1233 6.2709 6.2709 6.6829 6.6829 6.8173 6.8173 7.5670 7.5670 8.1496 8.1496 8.2959 8.2959 10.1853 10.1853 10.3320 10.3320 11.1970 11.1970 11.3754 11.3754 k = 0.3986 0.4644-0.0000 ( 5099 PWs) bands (ev): -26.0636 -26.0636 -26.0634 -26.0634 -9.2488 -9.2488 -9.1620 -9.1620 -8.3257 -8.3257 -8.1914 -8.1914 -7.9197 -7.9197 -7.8893 -7.8893 0.3645 0.3645 0.4425 0.4425 4.1485 4.1485 4.2945 4.2945 4.3370 4.3370 4.5470 4.5470 4.7516 4.7516 5.3482 5.3482 5.5441 5.5441 5.7684 5.7684 5.9187 5.9187 6.0672 6.0672 6.1117 6.1117 6.2660 6.2660 6.7454 6.7454 6.8692 6.8692 7.5271 7.5271 8.0498 8.0498 8.2025 8.2025 10.2219 10.2219 10.3911 10.3911 11.1729 11.1729 11.3451 11.3451 k = 0.3913 0.4769-0.0000 ( 5107 PWs) bands (ev): -26.0635 -26.0635 -26.0633 -26.0633 -9.2512 -9.2512 -9.1605 -9.1605 -8.3304 -8.3304 -8.1900 -8.1900 -7.9211 -7.9211 -7.8893 -7.8893 0.3724 0.3724 0.4541 0.4541 4.1616 4.1616 4.2982 4.2982 4.3347 4.3347 4.5436 4.5436 4.7720 4.7720 5.3375 5.3375 5.5468 5.5468 5.7669 5.7669 5.9123 5.9123 6.0589 6.0589 6.1025 6.1025 6.2612 6.2612 6.8099 6.8099 6.9216 6.9216 7.4913 7.4913 7.9516 7.9516 8.1102 8.1102 10.2556 10.2556 10.4512 10.4512 11.1502 11.1502 11.3148 11.3148 k = 0.3841 0.4895-0.0000 ( 5111 PWs) bands (ev): -26.0635 -26.0635 -26.0632 -26.0632 -9.2534 -9.2534 -9.1591 -9.1591 -8.3347 -8.3347 -8.1889 -8.1889 -7.9224 -7.9224 -7.8894 -7.8894 0.3801 0.3801 0.4650 0.4650 4.1741 4.1741 4.3005 4.3005 4.3331 4.3331 4.5399 4.5399 4.7941 4.7941 5.3222 5.3222 5.5553 5.5553 5.7660 5.7660 5.9039 5.9039 6.0511 6.0511 6.0952 6.0952 6.2566 6.2566 6.8760 6.8760 6.9744 6.9744 7.4600 7.4600 7.8561 7.8561 8.0185 8.0185 10.2860 10.2860 10.5118 10.5118 11.1291 11.1291 11.2843 11.2843 k = 0.3768 0.5020-0.0000 ( 5103 PWs) bands (ev): -26.0634 -26.0634 -26.0631 -26.0631 -9.2553 -9.2553 -9.1580 -9.1580 -8.3386 -8.3386 -8.1880 -8.1880 -7.9235 -7.9235 -7.8895 -7.8895 0.3873 0.3873 0.4751 0.4751 4.1858 4.1858 4.3011 4.3011 4.3326 4.3326 4.5360 4.5360 4.8172 4.8172 5.3038 5.3038 5.5680 5.5680 5.7656 5.7656 5.8936 5.8936 6.0450 6.0450 6.0892 6.0892 6.2524 6.2524 6.9435 6.9435 7.0274 7.0274 7.4338 7.4338 7.7643 7.7643 7.9271 7.9271 10.3129 10.3129 10.5728 10.5728 11.1096 11.1096 11.2529 11.2529 k = 0.3696 0.5146-0.0000 ( 5111 PWs) bands (ev): -26.0633 -26.0633 -26.0631 -26.0631 -9.2570 -9.2570 -9.1571 -9.1571 -8.3419 -8.3419 -8.1873 -8.1873 -7.9244 -7.9244 -7.8896 -7.8896 0.3939 0.3939 0.4841 0.4841 4.1965 4.1965 4.3001 4.3001 4.3331 4.3331 4.5323 4.5323 4.8404 4.8404 5.2841 5.2841 5.5833 5.5833 5.7653 5.7653 5.8818 5.8818 6.0411 6.0411 6.0840 6.0840 6.2487 6.2487 7.0120 7.0120 7.0808 7.0808 7.4129 7.4129 7.6769 7.6769 7.8360 7.8360 10.3362 10.3362 10.6337 10.6337 11.0918 11.0918 11.2200 11.2200 k = 0.3623 0.5271-0.0000 ( 5099 PWs) bands (ev): -26.0633 -26.0633 -26.0630 -26.0630 -9.2584 -9.2584 -9.1564 -9.1564 -8.3447 -8.3447 -8.1869 -8.1869 -7.9252 -7.9252 -7.8897 -7.8897 0.3996 0.3996 0.4918 0.4918 4.2060 4.2060 4.2979 4.2979 4.3343 4.3343 4.5288 4.5288 4.8624 4.8624 5.2647 5.2647 5.5997 5.5997 5.7651 5.7651 5.8693 5.8693 6.0395 6.0395 6.0794 6.0794 6.2456 6.2456 7.0805 7.0805 7.1348 7.1348 7.3976 7.3976 7.5950 7.5950 7.7455 7.7455 10.3557 10.3557 10.6939 10.6939 11.0755 11.0755 11.1848 11.1848 k = 0.3551 0.5397-0.0000 ( 5099 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2596 -9.2596 -9.1559 -9.1559 -8.3470 -8.3470 -8.1865 -8.1865 -7.9258 -7.9258 -7.8897 -7.8897 0.4044 0.4044 0.4981 0.4981 4.2139 4.2139 4.2953 4.2953 4.3356 4.3356 4.5259 4.5259 4.8818 4.8818 5.2471 5.2471 5.6156 5.6156 5.7649 5.7649 5.8575 5.8575 6.0397 6.0397 6.0752 6.0752 6.2434 6.2434 7.1474 7.1474 7.1906 7.1906 7.3876 7.3876 7.5198 7.5198 7.6557 7.6557 10.3711 10.3711 10.7523 10.7523 11.0609 11.0609 11.1475 11.1475 k = 0.3478 0.5522-0.0000 ( 5117 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2604 -9.2604 -9.1555 -9.1555 -8.3486 -8.3486 -8.1863 -8.1863 -7.9262 -7.9262 -7.8898 -7.8898 0.4080 0.4080 0.5028 0.5028 4.2201 4.2201 4.2929 4.2929 4.3368 4.3368 4.5237 4.5237 4.8972 4.8972 5.2332 5.2332 5.6290 5.6290 5.7645 5.7645 5.8477 5.8477 6.0411 6.0411 6.0715 6.0715 6.2419 6.2419 7.2098 7.2098 7.2504 7.2504 7.3807 7.3807 7.4545 7.4545 7.5672 7.5672 10.3824 10.3824 10.8062 10.8062 11.0481 11.0481 11.1104 11.1104 k = 0.3406 0.5648-0.0000 ( 5121 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2609 -9.2609 -9.1553 -9.1553 -8.3495 -8.3495 -8.1863 -8.1863 -7.9265 -7.9265 -7.8898 -7.8898 0.4102 0.4102 0.5057 0.5057 4.2240 4.2240 4.2911 4.2911 4.3376 4.3376 4.5222 4.5222 4.9069 4.9069 5.2243 5.2243 5.6382 5.6382 5.7642 5.7642 5.8411 5.8411 6.0429 6.0429 6.0687 6.0687 6.2412 6.2412 7.2655 7.2655 7.3139 7.3139 7.3623 7.3623 7.4156 7.4156 7.4815 7.4815 10.3893 10.3893 10.8486 10.8486 11.0394 11.0394 11.0784 11.0784 k = 0.3333 0.5774-0.0000 ( 5121 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4110 0.4110 0.5067 0.5067 4.2253 4.2253 4.2904 4.2904 4.3378 4.3378 4.5218 4.5218 4.9102 4.9102 5.2213 5.2213 5.6415 5.6415 5.7641 5.7641 5.8389 5.8389 6.0437 6.0437 6.0676 6.0676 6.2411 6.2411 7.3110 7.3110 7.3206 7.3206 7.3661 7.3661 7.4150 7.4150 7.4180 7.4180 10.3916 10.3916 10.8658 10.8658 11.0391 11.0391 11.0620 11.0620 k = 0.3333 0.5774-0.0000 ( 5121 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4110 0.4110 0.5067 0.5067 4.2253 4.2253 4.2904 4.2904 4.3378 4.3378 4.5218 4.5218 4.9102 4.9102 5.2213 5.2213 5.6415 5.6415 5.7641 5.7641 5.8389 5.8389 6.0437 6.0437 6.0676 6.0676 6.2411 6.2411 7.3110 7.3110 7.3206 7.3206 7.3661 7.3661 7.4150 7.4150 7.4180 7.4180 10.3916 10.3916 10.8658 10.8658 11.0391 11.0391 11.0620 11.0620 k = 0.3259 0.5645-0.0000 ( 5121 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2609 -9.2609 -9.1553 -9.1553 -8.3495 -8.3495 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4102 0.4102 0.5056 0.5056 4.2240 4.2240 4.2911 4.2911 4.3376 4.3376 4.5223 4.5223 4.9070 4.9070 5.2241 5.2241 5.6381 5.6381 5.7642 5.7642 5.8411 5.8411 6.0426 6.0426 6.0689 6.0689 6.2411 6.2411 7.2654 7.2654 7.3073 7.3073 7.3667 7.3667 7.4346 7.4346 7.4655 7.4655 10.3891 10.3891 10.8495 10.8495 11.0324 11.0324 11.0847 11.0847 k = 0.3185 0.5517-0.0000 ( 5115 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2603 -9.2603 -9.1555 -9.1555 -8.3485 -8.3485 -8.1863 -8.1863 -7.9262 -7.9262 -7.8898 -7.8898 0.4074 0.4074 0.5023 0.5023 4.2201 4.2201 4.2928 4.2928 4.3369 4.3369 4.5237 4.5237 4.8986 4.8986 5.2316 5.2316 5.6283 5.6283 5.7640 5.7640 5.8473 5.8473 6.0396 6.0396 6.0722 6.0722 6.2406 6.2406 7.1996 7.1996 7.2581 7.2581 7.4102 7.4102 7.4633 7.4633 7.5354 7.5354 10.3812 10.3812 10.8122 10.8122 11.0239 11.0239 11.1295 11.1295 k = 0.3111 0.5389-0.0000 ( 5111 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2594 -9.2594 -9.1557 -9.1557 -8.3467 -8.3467 -8.1862 -8.1862 -7.9258 -7.9258 -7.8897 -7.8897 0.4026 0.4026 0.4966 0.4966 4.2143 4.2143 4.2953 4.2953 4.3358 4.3358 4.5260 4.5260 4.8866 4.8866 5.2419 5.2419 5.6136 5.6136 5.7636 5.7636 5.8558 5.8558 6.0355 6.0355 6.0766 6.0766 6.2391 6.2391 7.1213 7.1213 7.2334 7.2334 7.4524 7.4524 7.4999 7.4999 7.6056 7.6056 10.3676 10.3676 10.7670 10.7670 11.0183 11.0183 11.1784 11.1784 k = 0.3037 0.5260-0.0000 ( 5107 PWs) bands (ev): -26.0633 -26.0633 -26.0631 -26.0631 -9.2580 -9.2580 -9.1559 -9.1559 -8.3443 -8.3443 -8.1861 -8.1861 -7.9253 -7.9253 -7.8896 -7.8896 0.3956 0.3956 0.4885 0.4885 4.2071 4.2071 4.2979 4.2979 4.3347 4.3347 4.5288 4.5288 4.8730 4.8730 5.2530 5.2530 5.5952 5.5952 5.7629 5.7629 5.8652 5.8652 6.0307 6.0307 6.0814 6.0814 6.2359 6.2359 7.0422 7.0422 7.2248 7.2248 7.4951 7.4951 7.5415 7.5415 7.6740 7.6740 10.3477 10.3477 10.7204 10.7204 11.0154 11.0154 11.2248 11.2248 k = 0.2963 0.5132-0.0000 ( 5095 PWs) bands (ev): -26.0634 -26.0634 -26.0631 -26.0631 -9.2563 -9.2563 -9.1561 -9.1561 -8.3411 -8.3411 -8.1859 -8.1859 -7.9247 -7.9247 -7.8895 -7.8895 0.3863 0.3863 0.4780 0.4780 4.1991 4.1991 4.3005 4.3005 4.3336 4.3336 4.5319 4.5319 4.8592 4.8592 5.2634 5.2634 5.5742 5.5742 5.7621 5.7621 5.8739 5.8739 6.0256 6.0256 6.0861 6.0861 6.2306 6.2306 6.9653 6.9653 7.2307 7.2307 7.5401 7.5401 7.5857 7.5857 7.7397 7.7397 10.3210 10.3210 10.6758 10.6758 11.0157 11.0157 11.2660 11.2660 k = 0.2889 0.5004-0.0000 ( 5099 PWs) bands (ev): -26.0635 -26.0635 -26.0632 -26.0632 -9.2541 -9.2541 -9.1563 -9.1563 -8.3373 -8.3373 -8.1856 -8.1856 -7.9240 -7.9240 -7.8893 -7.8893 0.3744 0.3744 0.4652 0.4652 4.1906 4.1906 4.3027 4.3027 4.3327 4.3327 4.5351 4.5351 4.8462 4.8462 5.2715 5.2715 5.5519 5.5519 5.7614 5.7614 5.8812 5.8812 6.0204 6.0204 6.0905 6.0905 6.2231 6.2231 6.8917 6.8917 7.2506 7.2506 7.5868 7.5868 7.6325 7.6325 7.8018 7.8018 10.2870 10.2870 10.6354 10.6354 11.0196 11.0196 11.3023 11.3023 k = 0.2815 0.4875-0.0000 ( 5103 PWs) bands (ev): -26.0637 -26.0637 -26.0633 -26.0633 -9.2516 -9.2516 -9.1564 -9.1564 -8.3328 -8.3328 -8.1851 -8.1851 -7.9232 -7.9232 -7.8891 -7.8891 0.3599 0.3599 0.4501 0.4501 4.1821 4.1821 4.3046 4.3046 4.3322 4.3322 4.5379 4.5379 4.8348 4.8348 5.2759 5.2759 5.5296 5.5296 5.7609 5.7609 5.8862 5.8862 6.0151 6.0151 6.0943 6.0943 6.2137 6.2137 6.8221 6.8221 7.2837 7.2837 7.6330 7.6330 7.6832 7.6832 7.8596 7.8596 10.2456 10.2456 10.6005 10.6005 11.0277 11.0277 11.3357 11.3357 k = 0.2741 0.4747-0.0000 ( 5107 PWs) bands (ev): -26.0638 -26.0638 -26.0635 -26.0635 -9.2486 -9.2486 -9.1564 -9.1564 -8.3277 -8.3277 -8.1844 -8.1844 -7.9223 -7.9223 -7.8889 -7.8889 0.3425 0.3425 0.4328 0.4328 4.1740 4.1740 4.3062 4.3062 4.3319 4.3319 4.5401 4.5401 4.8254 4.8254 5.2750 5.2750 5.5089 5.5089 5.7606 5.7606 5.8887 5.8887 6.0098 6.0098 6.0972 6.0972 6.2031 6.2031 6.7574 6.7574 7.3291 7.3291 7.6765 7.6765 7.7392 7.7392 7.9123 7.9123 10.1973 10.1973 10.5718 10.5718 11.0408 11.0408 11.3675 11.3675 k = 0.2667 0.4619-0.0000 ( 5103 PWs) bands (ev): -26.0640 -26.0640 -26.0636 -26.0636 -9.2452 -9.2452 -9.1562 -9.1562 -8.3219 -8.3219 -8.1835 -8.1835 -7.9214 -7.9214 -7.8886 -7.8886 0.3220 0.3220 0.4136 0.4136 4.1667 4.1667 4.3075 4.3075 4.3319 4.3319 4.5414 4.5414 4.8184 4.8184 5.2675 5.2675 5.4917 5.4917 5.7603 5.7603 5.8883 5.8883 6.0041 6.0041 6.0987 6.0987 6.1919 6.1919 6.6986 6.6986 7.3856 7.3856 7.7164 7.7164 7.8001 7.8001 7.9592 7.9592 10.1429 10.1429 10.5497 10.5497 11.0594 11.0594 11.3987 11.3987 k = 0.2593 0.4491-0.0000 ( 5115 PWs) bands (ev): -26.0642 -26.0642 -26.0638 -26.0638 -9.2415 -9.2415 -9.1560 -9.1560 -8.3156 -8.3156 -8.1824 -8.1824 -7.9204 -7.9204 -7.8883 -7.8883 0.2984 0.2984 0.3926 0.3926 4.1605 4.1605 4.3086 4.3086 4.3321 4.3321 4.5417 4.5417 4.8139 4.8139 5.2522 5.2522 5.4793 5.4793 5.7601 5.7601 5.8851 5.8851 5.9980 5.9980 6.0982 6.0982 6.1812 6.1812 6.6465 6.6465 7.4518 7.4518 7.7530 7.7530 7.8645 7.8645 7.9999 7.9999 10.0836 10.0836 10.5342 10.5342 11.0844 11.0844 11.4294 11.4294 k = 0.2519 0.4362-0.0000 ( 5117 PWs) bands (ev): -26.0644 -26.0644 -26.0640 -26.0640 -9.2373 -9.2373 -9.1555 -9.1555 -8.3087 -8.3087 -8.1810 -8.1810 -7.9195 -7.9195 -7.8879 -7.8879 0.2716 0.2716 0.3700 0.3700 4.1557 4.1557 4.3096 4.3096 4.3323 4.3323 4.5409 4.5409 4.8118 4.8118 5.2292 5.2292 5.4724 5.4724 5.7596 5.7596 5.8792 5.8792 5.9910 5.9910 6.0951 6.0951 6.1716 6.1716 6.6022 6.6022 7.5263 7.5263 7.7866 7.7866 7.9306 7.9306 8.0342 8.0342 10.0204 10.0204 10.5255 10.5255 11.1162 11.1162 11.4596 11.4596 k = 0.2444 0.4234-0.0000 ( 5113 PWs) bands (ev): -26.0647 -26.0647 -26.0642 -26.0642 -9.2328 -9.2328 -9.1549 -9.1549 -8.3012 -8.3012 -8.1793 -8.1793 -7.9185 -7.9185 -7.8875 -7.8875 0.2415 0.2415 0.3461 0.3461 4.1525 4.1525 4.3106 4.3106 4.3324 4.3324 4.5389 4.5389 4.8121 4.8121 5.1998 5.1998 5.4702 5.4702 5.7589 5.7589 5.8706 5.8706 5.9831 5.9831 6.0886 6.0886 6.1635 6.1635 6.5670 6.5670 7.6078 7.6078 7.8174 7.8174 7.9970 7.9970 8.0622 8.0622 9.9541 9.9541 10.5242 10.5242 11.1548 11.1548 11.4891 11.4891 k = 0.2370 0.4106-0.0000 ( 5123 PWs) bands (ev): -26.0649 -26.0649 -26.0644 -26.0644 -9.2280 -9.2280 -9.1540 -9.1540 -8.2932 -8.2932 -8.1773 -8.1773 -7.9175 -7.9175 -7.8870 -7.8870 0.2082 0.2082 0.3208 0.3208 4.1510 4.1510 4.3115 4.3115 4.3326 4.3326 4.5356 4.5356 4.8147 4.8147 5.1655 5.1655 5.4719 5.4719 5.7577 5.7577 5.8596 5.8596 5.9740 5.9740 6.0790 6.0790 6.1566 6.1566 6.5416 6.5416 7.6939 7.6939 7.8458 7.8458 8.0614 8.0614 8.0854 8.0854 9.8853 9.8853 10.5308 10.5308 11.2000 11.2000 11.5179 11.5179 k = 0.2296 0.3977-0.0000 ( 5117 PWs) bands (ev): -26.0652 -26.0652 -26.0647 -26.0647 -9.2228 -9.2228 -9.1530 -9.1530 -8.2848 -8.2848 -8.1750 -8.1750 -7.9166 -7.9166 -7.8864 -7.8864 0.1719 0.1719 0.2942 0.2942 4.1514 4.1514 4.3122 4.3122 4.3327 4.3327 4.5312 4.5312 4.8195 4.8195 5.1279 5.1279 5.4763 5.4763 5.7560 5.7560 5.8462 5.8462 5.9639 5.9639 6.0666 6.0666 6.1505 6.1505 6.5265 6.5265 7.7799 7.7799 7.8741 7.8741 8.0991 8.0991 8.1290 8.1290 9.8147 9.8147 10.5461 10.5461 11.2507 11.2507 11.5467 11.5467 k = 0.2222 0.3849-0.0000 ( 5121 PWs) bands (ev): -26.0655 -26.0655 -26.0649 -26.0649 -9.2173 -9.2173 -9.1517 -9.1517 -8.2759 -8.2759 -8.1724 -8.1724 -7.9157 -7.9157 -7.8858 -7.8858 0.1329 0.1329 0.2665 0.2665 4.1535 4.1535 4.3127 4.3127 4.3329 4.3329 4.5255 4.5255 4.8265 4.8265 5.0881 5.0881 5.4828 5.4828 5.7537 5.7537 5.8306 5.8306 5.9529 5.9529 6.0522 6.0522 6.1446 6.1446 6.5216 6.5216 7.8469 7.8469 7.9174 7.9174 8.1152 8.1152 8.1898 8.1898 9.7426 9.7426 10.5709 10.5709 11.3046 11.3046 11.5771 11.5771 k = 0.2148 0.3721-0.0000 ( 5119 PWs) bands (ev): -26.0659 -26.0659 -26.0652 -26.0652 -9.2115 -9.2115 -9.1501 -9.1501 -8.2667 -8.2667 -8.1695 -8.1695 -7.9149 -7.9149 -7.8851 -7.8851 0.0913 0.0913 0.2377 0.2377 4.1573 4.1573 4.3127 4.3127 4.3335 4.3335 4.5186 4.5186 4.8359 4.8359 5.0472 5.0472 5.4908 5.4908 5.7509 5.7509 5.8130 5.8130 5.9414 5.9414 6.0369 6.0369 6.1387 6.1387 6.5260 6.5260 7.8738 7.8738 7.9889 7.9889 8.1338 8.1338 8.2505 8.2505 9.6692 9.6692 10.6059 10.6059 11.3579 11.3579 11.6125 11.6125 k = 0.2074 0.3592-0.0000 ( 5105 PWs) bands (ev): -26.0662 -26.0662 -26.0655 -26.0655 -9.2055 -9.2055 -9.1483 -9.1483 -8.2570 -8.2570 -8.1663 -8.1663 -7.9141 -7.9141 -7.8844 -7.8844 0.0475 0.0475 0.2079 0.2079 4.1626 4.1626 4.3119 4.3119 4.3344 4.3344 4.5104 4.5104 4.8477 4.8477 5.0058 5.0058 5.4999 5.4999 5.7474 5.7474 5.7935 5.7935 5.9295 5.9295 6.0212 6.0212 6.1328 6.1328 6.5388 6.5388 7.8809 7.8809 8.0524 8.0524 8.1666 8.1666 8.3145 8.3145 9.5947 9.5947 10.6516 10.6516 11.4049 11.4049 11.6582 11.6582 k = 0.2000 0.3464-0.0000 ( 5113 PWs) bands (ev): -26.0666 -26.0666 -26.0658 -26.0658 -9.1993 -9.1993 -9.1463 -9.1463 -8.2471 -8.2471 -8.1627 -8.1627 -7.9134 -7.9134 -7.8835 -7.8835 0.0018 0.0018 0.1771 0.1771 4.1692 4.1692 4.3105 4.3105 4.3359 4.3359 4.5010 4.5010 4.8621 4.8621 4.9647 4.9647 5.5100 5.5100 5.7433 5.7433 5.7728 5.7728 5.9175 5.9175 6.0059 6.0059 6.1271 6.1271 6.5587 6.5587 7.8770 7.8770 8.0869 8.0869 8.2170 8.2170 8.3903 8.3903 9.5192 9.5192 10.7082 10.7082 11.4408 11.4408 11.7186 11.7186 k = 0.1926 0.3336-0.0000 ( 5109 PWs) bands (ev): -26.0670 -26.0670 -26.0661 -26.0661 -9.1930 -9.1930 -9.1441 -9.1441 -8.2369 -8.2369 -8.1589 -8.1589 -7.9128 -7.9128 -7.8827 -7.8827 -0.0456 -0.0456 0.1454 0.1454 4.1767 4.1767 4.3082 4.3082 4.3378 4.3378 4.4902 4.4902 4.8785 4.8785 4.9251 4.9251 5.5207 5.5207 5.7385 5.7385 5.7515 5.7515 5.9055 5.9055 5.9913 5.9913 6.1216 6.1216 6.5845 6.5845 7.8641 7.8641 8.1048 8.1048 8.2639 8.2639 8.4846 8.4846 9.4428 9.4428 10.7757 10.7757 11.4649 11.4649 11.7944 11.7944 k = 0.1852 0.3208-0.0000 ( 5105 PWs) bands (ev): -26.0673 -26.0673 -26.0665 -26.0665 -9.1864 -9.1864 -9.1416 -9.1416 -8.2264 -8.2264 -8.1547 -8.1547 -7.9122 -7.9122 -7.8817 -7.8817 -0.0942 -0.0942 0.1129 0.1129 4.1848 4.1848 4.3053 4.3053 4.3401 4.3401 4.4782 4.4782 4.8771 4.8771 4.9075 4.9075 5.5318 5.5318 5.7269 5.7269 5.7363 5.7363 5.8937 5.8937 5.9777 5.9777 6.1164 6.1164 6.6155 6.6155 7.8438 7.8438 8.1171 8.1171 8.2972 8.2972 8.5957 8.5957 9.3655 9.3655 10.8536 10.8536 11.4801 11.4801 11.8826 11.8826 k = 0.1778 0.3079-0.0000 ( 5099 PWs) bands (ev): -26.0677 -26.0677 -26.0668 -26.0668 -9.1798 -9.1798 -9.1390 -9.1390 -8.2158 -8.2158 -8.1502 -8.1502 -7.9117 -7.9117 -7.8807 -7.8807 -0.1439 -0.1439 0.0798 0.0798 4.1932 4.1932 4.3018 4.3018 4.3427 4.3427 4.4650 4.4650 4.8412 4.8412 4.9293 4.9293 5.5431 5.5431 5.7054 5.7054 5.7307 5.7307 5.8820 5.8820 5.9652 5.9652 6.1115 6.1115 6.6506 6.6506 7.8175 7.8175 8.1273 8.1273 8.3184 8.3184 8.7182 8.7182 9.2873 9.2873 10.9411 10.9411 11.4899 11.4899 11.9792 11.9792 k = 0.1704 0.2951-0.0000 ( 5103 PWs) bands (ev): -26.0681 -26.0681 -26.0672 -26.0672 -9.1732 -9.1732 -9.1361 -9.1361 -8.2051 -8.2051 -8.1454 -8.1454 -7.9112 -7.9112 -7.8796 -7.8796 -0.1943 -0.1943 0.0461 0.0461 4.2013 4.2013 4.2979 4.2979 4.3455 4.3455 4.4507 4.4507 4.8037 4.8037 4.9579 4.9579 5.5544 5.5544 5.6836 5.6836 5.7261 5.7261 5.8706 5.8706 5.9539 5.9539 6.1069 6.1069 6.6892 6.6892 7.7869 7.7869 8.1358 8.1358 8.3302 8.3302 8.8482 8.8482 9.2083 9.2083 11.0370 11.0370 11.4972 11.4972 12.0807 12.0807 k = 0.1630 0.2823-0.0000 ( 5111 PWs) bands (ev): -26.0686 -26.0686 -26.0675 -26.0675 -9.1666 -9.1666 -9.1331 -9.1331 -8.1942 -8.1942 -8.1403 -8.1403 -7.9108 -7.9108 -7.8785 -7.8785 -0.2450 -0.2450 0.0121 0.0121 4.2088 4.2088 4.2938 4.2938 4.3484 4.3484 4.4355 4.4355 4.7672 4.7672 4.9911 4.9911 5.5655 5.5655 5.6624 5.6624 5.7218 5.7218 5.8594 5.8594 5.9438 5.9438 6.1025 6.1025 6.7304 6.7304 7.7535 7.7535 8.1427 8.1427 8.3347 8.3347 8.9822 8.9822 9.1298 9.1298 11.1397 11.1397 11.5045 11.5045 12.1835 12.1835 k = 0.1556 0.2694-0.0000 ( 5091 PWs) bands (ev): -26.0690 -26.0690 -26.0679 -26.0679 -9.1600 -9.1600 -9.1299 -9.1299 -8.1834 -8.1834 -8.1350 -8.1350 -7.9104 -7.9104 -7.8773 -7.8773 -0.2959 -0.2959 -0.0221 -0.0221 4.2150 4.2150 4.2898 4.2898 4.3513 4.3513 4.4199 4.4199 4.7322 4.7322 5.0287 5.0287 5.5760 5.5760 5.6421 5.6421 5.7182 5.7182 5.8485 5.8485 5.9349 5.9349 6.0985 6.0985 6.7735 6.7735 7.7187 7.7187 8.1477 8.1477 8.3335 8.3335 9.0385 9.0385 9.1323 9.1323 11.2470 11.2470 11.5142 11.5142 12.2829 12.2829 k = 0.1481 0.2566-0.0000 ( 5091 PWs) bands (ev): -26.0694 -26.0694 -26.0683 -26.0683 -9.1535 -9.1535 -9.1265 -9.1265 -8.1725 -8.1725 -8.1294 -8.1294 -7.9101 -7.9101 -7.8761 -7.8761 -0.3465 -0.3465 -0.0563 -0.0563 4.2195 4.2195 4.2861 4.2861 4.3542 4.3542 4.4041 4.4041 4.6987 4.6987 5.0706 5.0706 5.5858 5.5858 5.6229 5.6229 5.7154 5.7154 5.8378 5.8378 5.9273 5.9273 6.0947 6.0947 6.8174 6.8174 7.6842 7.6842 8.1505 8.1505 8.3278 8.3278 8.9598 8.9598 9.2725 9.2725 11.3544 11.3544 11.5304 11.5304 12.3717 12.3717 k = 0.1407 0.2438-0.0000 ( 5091 PWs) bands (ev): -26.0698 -26.0698 -26.0687 -26.0687 -9.1471 -9.1471 -9.1230 -9.1230 -8.1618 -8.1618 -8.1237 -8.1237 -7.9098 -7.9098 -7.8749 -7.8749 -0.3967 -0.3967 -0.0905 -0.0905 4.2214 4.2214 4.2831 4.2831 4.3567 4.3567 4.3888 4.3888 4.6669 4.6669 5.1166 5.1166 5.5942 5.5942 5.6051 5.6051 5.7138 5.7138 5.8276 5.8276 5.9208 5.9208 6.0912 6.0912 6.8612 6.8612 7.6514 7.6514 8.1508 8.1508 8.3186 8.3186 8.8765 8.8765 9.4194 9.4194 11.4477 11.4477 11.5663 11.5663 12.4091 12.4095 k = 0.1333 0.2309-0.0000 ( 5083 PWs) bands (ev): -26.0702 -26.0702 -26.0690 -26.0690 -9.1409 -9.1409 -9.1194 -9.1194 -8.1512 -8.1512 -8.1178 -8.1178 -7.9095 -7.9095 -7.8737 -7.8737 -0.4461 -0.4461 -0.1243 -0.1243 4.2205 4.2205 4.2810 4.2810 4.3582 4.3582 4.3754 4.3754 4.6367 4.6367 5.1665 5.1665 5.5878 5.5878 5.6025 5.6025 5.7133 5.7133 5.8180 5.8180 5.9156 5.9156 6.0879 6.0879 6.9031 6.9031 7.6221 7.6221 8.1484 8.1484 8.3070 8.3070 8.7920 8.7920 9.5694 9.5694 11.5018 11.5018 11.6460 11.6460 12.3955 12.3955 k = 0.1259 0.2181-0.0000 ( 5087 PWs) bands (ev): -26.0706 -26.0706 -26.0694 -26.0694 -9.1350 -9.1350 -9.1157 -9.1157 -8.1408 -8.1408 -8.1118 -8.1118 -7.9093 -7.9093 -7.8724 -7.8724 -0.4945 -0.4945 -0.1576 -0.1576 4.2165 4.2165 4.2795 4.2795 4.3545 4.3545 4.3684 4.3684 4.6083 4.6083 5.2196 5.2196 5.5731 5.5731 5.6085 5.6085 5.7142 5.7142 5.8093 5.8093 5.9115 5.9115 6.0849 6.0849 6.9416 6.9416 7.5984 7.5984 8.1427 8.1427 8.2936 8.2936 8.7069 8.7069 9.7219 9.7219 11.5312 11.5312 11.7536 11.7536 12.3839 12.3839 k = 0.1185 0.2053-0.0000 ( 5093 PWs) bands (ev): -26.0710 -26.0710 -26.0697 -26.0697 -9.1294 -9.1294 -9.1119 -9.1119 -8.1306 -8.1306 -8.1056 -8.1056 -7.9091 -7.9091 -7.8711 -7.8711 -0.5416 -0.5416 -0.1903 -0.1903 4.2098 4.2098 4.2779 4.2779 4.3453 4.3453 4.3689 4.3689 4.5816 4.5816 5.2750 5.2750 5.5605 5.5605 5.6133 5.6133 5.7162 5.7162 5.8017 5.8017 5.9085 5.9085 6.0821 6.0821 6.9743 6.9743 7.5824 7.5824 8.1334 8.1334 8.2791 8.2791 8.6222 8.6222 9.8762 9.8762 11.5559 11.5559 11.8669 11.8669 12.3746 12.3746 k = 0.1111 0.1925-0.0000 ( 5081 PWs) bands (ev): -26.0714 -26.0714 -26.0701 -26.0701 -9.1240 -9.1240 -9.1081 -9.1081 -8.1208 -8.1208 -8.0995 -8.0995 -7.9088 -7.9088 -7.8698 -7.8698 -0.5872 -0.5872 -0.2221 -0.2221 4.2010 4.2010 4.2754 4.2754 4.3370 4.3370 4.3710 4.3710 4.5566 4.5566 5.3308 5.3308 5.5512 5.5512 5.6171 5.6171 5.7190 5.7190 5.7961 5.7961 5.9066 5.9066 6.0796 6.0796 6.9990 6.9990 7.5762 7.5762 8.1193 8.1193 8.2640 8.2640 8.5392 8.5392 10.0319 10.0319 11.5813 11.5813 11.9785 11.9785 12.3535 12.3535 k = 0.1037 0.1796-0.0000 ( 5077 PWs) bands (ev): -26.0718 -26.0718 -26.0704 -26.0704 -9.1191 -9.1191 -9.1042 -9.1042 -8.1114 -8.1114 -8.0933 -8.0933 -7.9086 -7.9086 -7.8685 -7.8685 -0.6310 -0.6310 -0.2529 -0.2529 4.1904 4.1904 4.2716 4.2716 4.3311 4.3311 4.3733 4.3733 4.5334 4.5334 5.3829 5.3829 5.5481 5.5481 5.6205 5.6205 5.7219 5.7219 5.7936 5.7936 5.9057 5.9057 6.0773 6.0773 7.0142 7.0142 7.5813 7.5813 8.0990 8.0990 8.2486 8.2486 8.4601 8.4601 10.1884 10.1884 11.6082 11.6082 12.0841 12.0841 12.2766 12.2766 k = 0.0963 0.1668-0.0000 ( 5083 PWs) bands (ev): -26.0721 -26.0721 -26.0708 -26.0708 -9.1145 -9.1145 -9.1003 -9.1003 -8.1025 -8.1025 -8.0872 -8.0872 -7.9083 -7.9083 -7.8673 -7.8673 -0.6728 -0.6728 -0.2824 -0.2824 4.1787 4.1787 4.2666 4.2666 4.3275 4.3275 4.3757 4.3757 4.5119 4.5119 5.4232 5.4232 5.5565 5.5565 5.6249 5.6249 5.7242 5.7242 5.7957 5.7957 5.9058 5.9058 6.0752 6.0752 7.0195 7.0195 7.5976 7.5976 8.0698 8.0698 8.2328 8.2328 8.3886 8.3886 10.3450 10.3450 11.6356 11.6356 12.1784 12.1784 12.1961 12.1961 k = 0.0889 0.1540-0.0000 ( 5081 PWs) bands (ev): -26.0725 -26.0725 -26.0711 -26.0711 -9.1103 -9.1103 -9.0964 -9.0964 -8.0942 -8.0942 -8.0811 -8.0811 -7.9081 -7.9081 -7.8660 -7.8660 -0.7124 -0.7124 -0.3106 -0.3106 4.1662 4.1662 4.2608 4.2608 4.3258 4.3258 4.3780 4.3780 4.4920 4.4920 5.4437 5.4437 5.5779 5.5779 5.6338 5.6338 5.7261 5.7261 5.8053 5.8053 5.9068 5.9068 6.0734 6.0734 7.0157 7.0157 7.6230 7.6230 8.0286 8.0286 8.2164 8.2164 8.3296 8.3296 10.5007 10.5007 11.6610 11.6610 12.1111 12.1111 12.2666 12.2666 k = 0.0815 0.1411-0.0000 ( 5069 PWs) bands (ev): -26.0728 -26.0728 -26.0714 -26.0714 -9.1065 -9.1065 -9.0927 -9.0927 -8.0864 -8.0864 -8.0751 -8.0751 -7.9078 -7.9078 -7.8648 -7.8648 -0.7497 -0.7497 -0.3373 -0.3373 4.1536 4.1536 4.2547 4.2547 4.3251 4.3251 4.3801 4.3801 4.4738 4.4738 5.4484 5.4484 5.5966 5.5966 5.6528 5.6528 5.7288 5.7288 5.8268 5.8268 5.9088 5.9088 6.0717 6.0717 7.0049 7.0049 7.6541 7.6541 7.9739 7.9739 8.1992 8.1992 8.2867 8.2867 10.6541 10.6541 11.6786 11.6786 12.0402 12.0402 12.3360 12.3360 k = 0.0741 0.1283-0.0000 ( 5067 PWs) bands (ev): -26.0731 -26.0731 -26.0716 -26.0716 -9.1030 -9.1030 -9.0891 -9.0891 -8.0793 -8.0793 -8.0693 -8.0693 -7.9075 -7.9075 -7.8636 -7.8636 -0.7843 -0.7843 -0.3622 -0.3622 4.1410 4.1410 4.2488 4.2488 4.3251 4.3251 4.3821 4.3821 4.4573 4.4573 5.4459 5.4459 5.6045 5.6045 5.6731 5.6731 5.7345 5.7345 5.8651 5.8651 5.9123 5.9123 6.0703 6.0703 6.9893 6.9893 7.6847 7.6847 7.9101 7.9101 8.1816 8.1816 8.2594 8.2594 10.8030 10.8030 11.6788 11.6788 11.9936 11.9936 12.3610 12.3610 k = 0.0667 0.1155-0.0000 ( 5071 PWs) bands (ev): -26.0734 -26.0734 -26.0719 -26.0719 -9.0998 -9.0998 -9.0857 -9.0857 -8.0730 -8.0730 -8.0637 -8.0637 -7.9073 -7.9073 -7.8625 -7.8625 -0.8162 -0.8162 -0.3852 -0.3852 4.1289 4.1289 4.2432 4.2432 4.3253 4.3253 4.3839 4.3839 4.4424 4.4424 5.4408 5.4408 5.6075 5.6075 5.6830 5.6830 5.7432 5.7432 5.9067 5.9067 5.9317 5.9317 6.0691 6.0691 6.9706 6.9706 7.6996 7.6996 7.8533 7.8533 8.1648 8.1648 8.2440 8.2440 10.9435 10.9435 11.6559 11.6559 11.9819 11.9819 12.3664 12.3664 k = 0.0593 0.1026-0.0000 ( 5067 PWs) bands (ev): -26.0736 -26.0736 -26.0721 -26.0721 -9.0970 -9.0970 -9.0826 -9.0826 -8.0673 -8.0673 -8.0584 -8.0584 -7.9070 -7.9070 -7.8614 -7.8614 -0.8452 -0.8452 -0.4063 -0.4063 4.1176 4.1176 4.2381 4.2381 4.3256 4.3256 4.3855 4.3855 4.4291 4.4291 5.4349 5.4349 5.6088 5.6088 5.6851 5.6851 5.7517 5.7517 5.9143 5.9143 5.9990 5.9990 6.0684 6.0684 6.9503 6.9503 7.6671 7.6671 7.8364 7.8364 8.1497 8.1497 8.2368 8.2368 11.0676 11.0676 11.6232 11.6232 12.0000 12.0000 12.3726 12.3726 k = 0.0519 0.0898-0.0000 ( 5067 PWs) bands (ev): -26.0739 -26.0739 -26.0723 -26.0723 -9.0945 -9.0945 -9.0798 -9.0798 -8.0624 -8.0624 -8.0536 -8.0536 -7.9067 -7.9067 -7.8604 -7.8604 -0.8712 -0.8712 -0.4251 -0.4251 4.1071 4.1071 4.2336 4.2336 4.3259 4.3259 4.3870 4.3870 4.4175 4.4175 5.4290 5.4290 5.6095 5.6095 5.6839 5.6839 5.7588 5.7588 5.9182 5.9182 6.0639 6.0639 6.0826 6.0826 6.9293 6.9293 7.5935 7.5935 7.8540 7.8540 8.1364 8.1364 8.2360 8.2360 11.1592 11.1592 11.6087 11.6087 12.0352 12.0352 12.3803 12.3803 k = 0.0444 0.0770-0.0000 ( 5061 PWs) bands (ev): -26.0741 -26.0741 -26.0725 -26.0725 -9.0924 -9.0924 -9.0773 -9.0773 -8.0581 -8.0581 -8.0492 -8.0492 -7.9064 -7.9064 -7.8595 -7.8595 -0.8939 -0.8939 -0.4418 -0.4418 4.0978 4.0978 4.2296 4.2296 4.3261 4.3261 4.3882 4.3882 4.4074 4.4074 5.4236 5.4236 5.6098 5.6098 5.6817 5.6817 5.7645 5.7645 5.9218 5.9218 6.0656 6.0656 6.1658 6.1658 6.9079 6.9079 7.5068 7.5068 7.8788 7.8788 8.1251 8.1251 8.2406 8.2406 11.1990 11.1990 11.6401 11.6401 12.0778 12.0778 12.3898 12.3898 k = 0.0370 0.0642-0.0000 ( 5059 PWs) bands (ev): -26.0743 -26.0743 -26.0727 -26.0727 -9.0905 -9.0905 -9.0752 -9.0752 -8.0544 -8.0544 -8.0454 -8.0454 -7.9061 -7.9061 -7.8588 -7.8588 -0.9133 -0.9133 -0.4560 -0.4560 4.0897 4.0897 4.2262 4.2262 4.3263 4.3263 4.3892 4.3892 4.3991 4.3991 5.4188 5.4188 5.6100 5.6100 5.6792 5.6792 5.7689 5.7689 5.9250 5.9250 6.0652 6.0652 6.2544 6.2544 6.8859 6.8859 7.4177 7.4177 7.9013 7.9013 8.1155 8.1155 8.2495 8.2495 11.1915 11.1915 11.7161 11.7161 12.1213 12.1213 12.4018 12.4018 k = 0.0296 0.0513-0.0000 ( 5057 PWs) bands (ev): -26.0744 -26.0744 -26.0728 -26.0728 -9.0890 -9.0890 -9.0735 -9.0735 -8.0515 -8.0515 -8.0422 -8.0422 -7.9059 -7.9059 -7.8581 -7.8581 -0.9294 -0.9294 -0.4678 -0.4678 4.0830 4.0830 4.2233 4.2233 4.3264 4.3264 4.3895 4.3895 4.3927 4.3927 5.4147 5.4147 5.6100 5.6100 5.6768 5.6768 5.7723 5.7723 5.9278 5.9278 6.0648 6.0648 6.3447 6.3447 6.8623 6.8623 7.3315 7.3315 7.9191 7.9191 8.1075 8.1075 8.2610 8.2610 11.1621 11.1621 11.8124 11.8124 12.1599 12.1599 12.4172 12.4172 k = 0.0222 0.0385-0.0000 ( 5049 PWs) bands (ev): -26.0745 -26.0745 -26.0729 -26.0729 -9.0878 -9.0878 -9.0721 -9.0721 -8.0491 -8.0491 -8.0397 -8.0397 -7.9057 -7.9057 -7.8576 -7.8576 -0.9419 -0.9419 -0.4770 -0.4770 4.0777 4.0777 4.2211 4.2211 4.3265 4.3265 4.3863 4.3863 4.3913 4.3913 5.4115 5.4115 5.6101 5.6101 5.6749 5.6749 5.7749 5.7749 5.9302 5.9302 6.0645 6.0645 6.4349 6.4349 6.8346 6.8346 7.2530 7.2530 7.9319 7.9319 8.1013 8.1013 8.2732 8.2732 11.1291 11.1291 11.9101 11.9101 12.1875 12.1875 12.4367 12.4367 k = 0.0148 0.0257-0.0000 ( 5049 PWs) bands (ev): -26.0746 -26.0746 -26.0730 -26.0730 -9.0870 -9.0870 -9.0711 -9.0711 -8.0475 -8.0475 -8.0379 -8.0379 -7.9055 -7.9055 -7.8572 -7.8572 -0.9509 -0.9509 -0.4837 -0.4837 4.0739 4.0739 4.2196 4.2196 4.3265 4.3265 4.3827 4.3827 4.3917 4.3917 5.4091 5.4091 5.6101 5.6101 5.6735 5.6735 5.7767 5.7767 5.9319 5.9319 6.0642 6.0642 6.5230 6.5230 6.7991 6.7991 7.1888 7.1888 7.9403 7.9403 8.0969 8.0969 8.2838 8.2838 11.1016 11.1016 11.9980 11.9980 12.1992 12.1992 12.4586 12.4586 k = 0.0074 0.0128-0.0000 ( 5047 PWs) bands (ev): -26.0746 -26.0746 -26.0730 -26.0730 -9.0865 -9.0865 -9.0705 -9.0705 -8.0464 -8.0464 -8.0368 -8.0368 -7.9055 -7.9055 -7.8569 -7.8569 -0.9564 -0.9564 -0.4877 -0.4877 4.0715 4.0715 4.2186 4.2186 4.3264 4.3264 4.3805 4.3805 4.3919 4.3919 5.4077 5.4077 5.6101 5.6101 5.6726 5.6726 5.7777 5.7777 5.9330 5.9330 6.0641 6.0641 6.6052 6.6052 6.7524 6.7524 7.1462 7.1462 7.9450 7.9450 8.0941 8.0941 8.2910 8.2910 11.0837 11.0837 12.0665 12.0665 12.1944 12.1944 12.4772 12.4772 k = 0.0000 0.0000 0.0000 ( 5067 PWs) bands (ev): -26.0747 -26.0747 -26.0730 -26.0730 -9.0863 -9.0863 -9.0703 -9.0703 -8.0461 -8.0461 -8.0365 -8.0365 -7.9054 -7.9054 -7.8569 -7.8569 -0.9582 -0.9582 -0.4890 -0.4890 4.0708 4.0708 4.2183 4.2183 4.3264 4.3264 4.3798 4.3798 4.3920 4.3920 5.4072 5.4072 5.6101 5.6101 5.6723 5.6723 5.7781 5.7781 5.9334 5.9334 6.0641 6.0641 6.6609 6.6609 6.7091 6.7091 7.1314 7.1314 7.9465 7.9465 8.0932 8.0932 8.2935 8.2935 11.0775 11.0775 12.0970 12.0970 12.1858 12.1858 12.4847 12.4847 k = 0.0000 0.0000 0.0000 ( 5067 PWs) bands (ev): -26.0747 -26.0747 -26.0730 -26.0730 -9.0863 -9.0863 -9.0703 -9.0703 -8.0461 -8.0461 -8.0365 -8.0365 -7.9054 -7.9054 -7.8569 -7.8569 -0.9582 -0.9582 -0.4890 -0.4890 4.0708 4.0708 4.2183 4.2183 4.3264 4.3264 4.3798 4.3798 4.3920 4.3920 5.4072 5.4072 5.6101 5.6101 5.6723 5.6723 5.7781 5.7781 5.9334 5.9334 6.0641 6.0641 6.6609 6.6609 6.7091 6.7091 7.1314 7.1314 7.9465 7.9465 8.0932 8.0932 8.2935 8.2935 11.0775 11.0775 12.0970 12.0970 12.1858 12.1858 12.4847 12.5029 k = 0.0000 0.0000 0.0141 ( 5049 PWs) bands (ev): -26.0747 -26.0747 -26.0730 -26.0730 -9.0863 -9.0863 -9.0703 -9.0703 -8.0461 -8.0461 -8.0365 -8.0365 -7.9053 -7.9053 -7.8569 -7.8569 -0.9574 -0.9574 -0.4899 -0.4899 4.0719 4.0719 4.2186 4.2186 4.3263 4.3263 4.3812 4.3812 4.3917 4.3917 5.4078 5.4078 5.6101 5.6101 5.6716 5.6716 5.7761 5.7761 5.9317 5.9317 6.0636 6.0636 6.6573 6.6573 6.7070 6.7070 7.1340 7.1340 7.9446 7.9446 8.1048 8.1048 8.2917 8.2917 11.0738 11.0738 12.0917 12.0917 12.1964 12.1964 12.5039 12.5044 k = 0.0000 0.0000 0.0283 ( 5062 PWs) bands (ev): -26.0746 -26.0746 -26.0730 -26.0730 -9.0862 -9.0862 -9.0704 -9.0704 -8.0460 -8.0460 -8.0365 -8.0365 -7.9051 -7.9051 -7.8572 -7.8572 -0.9553 -0.9553 -0.4926 -0.4926 4.0751 4.0751 4.2195 4.2195 4.3258 4.3258 4.3854 4.3854 4.3909 4.3909 5.4094 5.4094 5.6101 5.6101 5.6695 5.6695 5.7706 5.7706 5.9266 5.9266 6.0622 6.0622 6.6400 6.6400 6.7080 6.7080 7.1419 7.1419 7.9389 7.9389 8.1386 8.1386 8.2862 8.2862 11.0628 11.0628 12.0813 12.0813 12.2227 12.2227 12.4911 12.5090 k = 0.0000 0.0000 0.0424 ( 5050 PWs) bands (ev): -26.0746 -26.0746 -26.0731 -26.0731 -9.0861 -9.0861 -9.0705 -9.0705 -8.0460 -8.0460 -8.0366 -8.0366 -7.9047 -7.9047 -7.8576 -7.8576 -0.9516 -0.9516 -0.4970 -0.4970 4.0804 4.0804 4.2210 4.2210 4.3250 4.3250 4.3894 4.3894 4.3926 4.3926 5.4121 5.4121 5.6102 5.6102 5.6653 5.6653 5.7621 5.7621 5.9183 5.9183 6.0599 6.0599 6.6042 6.6042 6.7192 6.7192 7.1549 7.1549 7.9295 7.9295 8.1922 8.1922 8.2771 8.2771 11.0444 11.0444 12.0724 12.0724 12.2580 12.2580 12.5016 12.5168 k = 0.0000 0.0000 0.0566 ( 5056 PWs) bands (ev): -26.0746 -26.0746 -26.0731 -26.0731 -9.0859 -9.0859 -9.0707 -9.0707 -8.0458 -8.0458 -8.0367 -8.0367 -7.9041 -7.9041 -7.8582 -7.8582 -0.9466 -0.9466 -0.5032 -0.5032 4.0876 4.0876 4.2231 4.2231 4.3239 4.3239 4.3875 4.3875 4.4028 4.4028 5.4159 5.4159 5.6104 5.6104 5.6579 5.6579 5.7521 5.7521 5.9071 5.9071 6.0567 6.0567 6.5548 6.5548 6.7387 6.7387 7.1727 7.1727 7.9164 7.9164 8.2621 8.2621 8.2645 8.2645 11.0187 11.0187 12.0680 12.0680 12.2994 12.2994 12.5094 12.5094 k = 0.0000 0.0000 0.0707 ( 5038 PWs) bands (ev): -26.0746 -26.0746 -26.0731 -26.0731 -9.0856 -9.0856 -9.0710 -9.0710 -8.0457 -8.0457 -8.0369 -8.0369 -7.9034 -7.9034 -7.8590 -7.8590 -0.9402 -0.9402 -0.5109 -0.5109 4.0964 4.0964 4.2257 4.2257 4.3224 4.3224 4.3849 4.3849 4.4161 4.4161 5.4207 5.4207 5.6107 5.6107 5.6460 5.6460 5.7423 5.7423 5.8932 5.8932 6.0527 6.0527 6.4969 6.4969 6.7643 6.7643 7.1949 7.1949 7.8997 7.8997 8.2485 8.2485 8.3452 8.3452 10.9858 10.9858 12.0690 12.0690 12.3457 12.3457 12.5228 12.5228 k = 0.0000 0.0000 0.0848 ( 5050 PWs) bands (ev): -26.0746 -26.0746 -26.0731 -26.0731 -9.0853 -9.0853 -9.0713 -9.0713 -8.0455 -8.0455 -8.0370 -8.0370 -7.9026 -7.9026 -7.8599 -7.8599 -0.9323 -0.9323 -0.5203 -0.5203 4.1065 4.1065 4.2289 4.2289 4.3206 4.3206 4.3819 4.3819 4.4329 4.4329 5.4267 5.4267 5.6111 5.6111 5.6281 5.6281 5.7340 5.7340 5.8770 5.8770 6.0479 6.0479 6.4344 6.4344 6.7949 6.7949 7.2212 7.2212 7.8796 7.8796 8.2292 8.2292 8.4384 8.4384 10.9458 10.9458 12.0759 12.0759 12.3960 12.3960 12.5386 12.5580 k = 0.0000 0.0000 0.0990 ( 5050 PWs) bands (ev): -26.0745 -26.0745 -26.0732 -26.0732 -9.0850 -9.0850 -9.0716 -9.0716 -8.0453 -8.0453 -8.0372 -8.0372 -7.9016 -7.9016 -7.8609 -7.8609 -0.9232 -0.9232 -0.5312 -0.5312 4.1177 4.1177 4.2327 4.2327 4.3184 4.3184 4.3783 4.3783 4.4532 4.4532 5.4337 5.4337 5.6039 5.6039 5.6117 5.6117 5.7278 5.7278 5.8589 5.8589 6.0425 6.0425 6.3702 6.3702 6.8295 6.8295 7.2511 7.2511 7.8562 7.8562 8.2067 8.2067 8.5394 8.5394 10.8989 10.8989 12.0885 12.0885 12.4501 12.4501 12.5567 12.5567 k = 0.0000 0.0000 0.1131 ( 5086 PWs) bands (ev): -26.0745 -26.0745 -26.0732 -26.0732 -9.0846 -9.0846 -9.0720 -9.0720 -8.0451 -8.0451 -8.0375 -8.0375 -7.9004 -7.9004 -7.8621 -7.8621 -0.9128 -0.9128 -0.5434 -0.5434 4.1295 4.1295 4.2369 4.2369 4.3157 4.3157 4.3742 4.3742 4.4773 4.4773 5.4418 5.4418 5.5735 5.5735 5.6126 5.6126 5.7234 5.7234 5.8392 5.8392 6.0365 6.0365 6.3069 6.3069 6.8675 6.8675 7.2843 7.2843 7.8296 7.8296 8.1812 8.1812 8.6463 8.6463 10.8455 10.8455 12.1068 12.1068 12.5076 12.5076 12.5765 12.5765 k = 0.0000 0.0000 0.1272 ( 5092 PWs) bands (ev): -26.0744 -26.0744 -26.0732 -26.0732 -9.0842 -9.0842 -9.0724 -9.0724 -8.0448 -8.0448 -8.0377 -8.0377 -7.8992 -7.8992 -7.8634 -7.8634 -0.9012 -0.9012 -0.5570 -0.5570 4.1419 4.1419 4.2416 4.2416 4.3126 4.3126 4.3697 4.3697 4.5053 4.5053 5.4510 5.4510 5.5376 5.5376 5.6138 5.6138 5.7200 5.7200 5.8184 5.8184 6.0300 6.0300 6.2464 6.2464 6.9083 6.9083 7.3203 7.3203 7.8000 7.8000 8.1528 8.1528 8.7576 8.7576 10.7857 10.7857 12.1301 12.1301 12.5682 12.5682 12.5979 12.5979 k = 0.0000 0.0000 0.1414 ( 5098 PWs) bands (ev): -26.0744 -26.0744 -26.0733 -26.0733 -9.0837 -9.0837 -9.0729 -9.0729 -8.0446 -8.0446 -8.0380 -8.0380 -7.8978 -7.8978 -7.8649 -7.8649 -0.8884 -0.8884 -0.5717 -0.5717 4.1543 4.1543 4.2468 4.2468 4.3090 4.3090 4.3647 4.3647 4.5372 4.5372 5.4612 5.4612 5.4965 5.4965 5.6154 5.6154 5.7169 5.7169 5.7966 5.7966 6.0232 6.0232 6.1905 6.1905 6.9514 6.9514 7.3586 7.3586 7.7677 7.7677 8.1219 8.1219 8.8719 8.8719 10.7201 10.7201 12.1582 12.1582 12.6203 12.6203 12.6314 12.6314 k = 0.0000 0.0000 0.1555 ( 5098 PWs) bands (ev): -26.0743 -26.0743 -26.0733 -26.0733 -9.0832 -9.0832 -9.0734 -9.0734 -8.0443 -8.0443 -8.0383 -8.0383 -7.8963 -7.8963 -7.8665 -7.8665 -0.8746 -0.8746 -0.5875 -0.5875 4.1668 4.1668 4.2523 4.2523 4.3050 4.3050 4.3593 4.3593 4.5731 4.5731 5.4506 5.4506 5.4725 5.4725 5.6175 5.6175 5.7136 5.7136 5.7743 5.7743 6.0162 6.0162 6.1406 6.1406 6.9965 6.9965 7.3991 7.3991 7.7327 7.7327 8.0884 8.0884 8.9883 8.9883 10.6488 10.6488 12.1902 12.1902 12.6434 12.6434 12.6721 12.6721 k = 0.0000 0.0000 0.1697 ( 5098 PWs) bands (ev): -26.0743 -26.0743 -26.0734 -26.0734 -9.0827 -9.0827 -9.0739 -9.0739 -8.0439 -8.0439 -8.0387 -8.0387 -7.8947 -7.8947 -7.8681 -7.8681 -0.8597 -0.8597 -0.6042 -0.6042 4.1790 4.1790 4.2583 4.2583 4.3004 4.3004 4.3536 4.3536 4.6129 4.6129 5.4004 5.4004 5.4849 5.4849 5.6201 5.6201 5.7096 5.7096 5.7517 5.7517 6.0091 6.0091 6.0974 6.0974 7.0430 7.0430 7.4412 7.4412 7.6954 7.6954 8.0527 8.0527 9.1059 9.1059 10.5722 10.5722 12.2258 12.2258 12.6666 12.6666 12.6903 12.6903 k = 0.0000 0.0000 0.1838 ( 5104 PWs) bands (ev): -26.0742 -26.0742 -26.0735 -26.0735 -9.0821 -9.0821 -9.0745 -9.0745 -8.0436 -8.0436 -8.0390 -8.0390 -7.8930 -7.8930 -7.8699 -7.8699 -0.8439 -0.8439 -0.6216 -0.6216 4.1909 4.1909 4.2645 4.2645 4.2952 4.2952 4.3475 4.3475 4.6564 4.6564 5.3463 5.3463 5.4984 5.4984 5.6234 5.6234 5.7047 5.7047 5.7290 5.7290 6.0021 6.0021 6.0616 6.0616 7.0906 7.0906 7.4847 7.4847 7.6558 7.6558 8.0150 8.0150 9.2240 9.2240 10.4906 10.4906 12.2642 12.2642 12.6895 12.6895 12.6964 12.6964 k = 0.0000 0.0000 0.1979 ( 5080 PWs) bands (ev): -26.0742 -26.0742 -26.0735 -26.0735 -9.0815 -9.0815 -9.0751 -9.0751 -8.0432 -8.0432 -8.0394 -8.0394 -7.8912 -7.8912 -7.8717 -7.8717 -0.8273 -0.8273 -0.6398 -0.6398 4.2024 4.2024 4.2711 4.2711 4.2895 4.2895 4.3411 4.3411 4.7036 4.7036 5.2890 5.2890 5.5128 5.5128 5.6274 5.6274 5.6986 5.6986 5.7063 5.7063 5.9954 5.9954 6.0330 6.0330 7.1391 7.1391 7.5292 7.5292 7.6143 7.6143 7.9755 7.9755 9.3419 9.3419 10.4042 10.4042 12.3049 12.3049 12.6869 12.6869 12.7117 12.7117 k = 0.0000 0.0000 0.2121 ( 5086 PWs) bands (ev): -26.0741 -26.0741 -26.0736 -26.0736 -9.0809 -9.0809 -9.0757 -9.0757 -8.0429 -8.0429 -8.0397 -8.0397 -7.8894 -7.8894 -7.8736 -7.8736 -0.8100 -0.8100 -0.6584 -0.6584 4.2134 4.2134 4.2778 4.2778 4.2833 4.2833 4.3344 4.3344 4.7540 4.7540 5.2292 5.2292 5.5283 5.5283 5.6321 5.6321 5.6840 5.6840 5.6916 5.6916 5.9893 5.9893 6.0113 6.0113 7.1882 7.1882 7.5711 7.5711 7.5745 7.5745 7.9344 7.9344 9.4591 9.4591 10.3133 10.3133 12.3473 12.3473 12.6650 12.6650 12.7326 12.7326 k = 0.0000 0.0000 0.2262 ( 5068 PWs) bands (ev): -26.0740 -26.0740 -26.0736 -26.0736 -9.0803 -9.0803 -9.0763 -9.0763 -8.0425 -8.0425 -8.0401 -8.0401 -7.8874 -7.8874 -7.8755 -7.8755 -0.7920 -0.7920 -0.6775 -0.6775 4.2240 4.2240 4.2765 4.2765 4.2848 4.2848 4.3276 4.3276 4.8075 4.8075 5.1679 5.1679 5.5448 5.5448 5.6376 5.6376 5.6620 5.6620 5.6837 5.6837 5.9841 5.9841 5.9958 5.9958 7.2376 7.2376 7.5263 7.5263 7.6203 7.6203 7.8918 7.8918 9.5749 9.5749 10.2181 10.2181 12.3906 12.3906 12.6351 12.6351 12.7520 12.7520 k = 0.0000 0.0000 0.2404 ( 5080 PWs) bands (ev): -26.0740 -26.0740 -26.0737 -26.0737 -9.0796 -9.0796 -9.0770 -9.0770 -8.0421 -8.0421 -8.0405 -8.0405 -7.8855 -7.8855 -7.8775 -7.8775 -0.7735 -0.7735 -0.6967 -0.6967 4.2341 4.2341 4.2691 4.2691 4.2919 4.2919 4.3206 4.3206 4.8636 4.8636 5.1058 5.1058 5.5622 5.5622 5.6406 5.6406 5.6439 5.6439 5.6754 5.6754 5.9801 5.9801 5.9855 5.9855 7.2869 7.2869 7.4802 7.4802 7.6664 7.6664 7.8482 7.8482 9.6890 9.6890 10.1190 10.1190 12.4344 12.4344 12.6001 12.6001 12.7693 12.7693 k = 0.0000 0.0000 0.2545 ( 5086 PWs) bands (ev): -26.0739 -26.0739 -26.0738 -26.0738 -9.0789 -9.0789 -9.0776 -9.0776 -8.0417 -8.0417 -8.0409 -8.0409 -7.8835 -7.8835 -7.8795 -7.8795 -0.7546 -0.7546 -0.7161 -0.7161 4.2437 4.2437 4.2612 4.2612 4.2990 4.2990 4.3134 4.3134 4.9220 4.9220 5.0437 5.0437 5.5806 5.5806 5.6198 5.6198 5.6510 5.6510 5.6670 5.6670 5.9776 5.9776 5.9797 5.9797 7.3361 7.3361 7.4330 7.4330 7.7124 7.7124 7.8036 7.8036 9.8008 9.8008 10.0162 10.0162 12.4779 12.4779 12.5615 12.5615 12.7844 12.7845 k = 0.0000 0.0000 0.2686 ( 5086 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0783 -9.0783 -9.0783 -9.0783 -8.0413 -8.0413 -8.0413 -8.0413 -7.8815 -7.8815 -7.8815 -7.8815 -0.7354 -0.7354 -0.7354 -0.7354 4.2527 4.2527 4.2527 4.2527 4.3062 4.3062 4.3062 4.3062 4.9822 4.9822 4.9822 4.9822 5.5998 5.5998 5.5998 5.5998 5.6588 5.6588 5.6588 5.6588 5.9773 5.9773 5.9773 5.9773 7.3849 7.3849 7.3849 7.3849 7.7582 7.7582 7.7582 7.7582 9.9100 9.9100 9.9100 9.9100 12.5205 12.5205 12.5205 12.5205 12.7971 12.7971 k = 0.0000 0.0000 0.2686 ( 5086 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0783 -9.0783 -9.0783 -9.0783 -8.0413 -8.0413 -8.0413 -8.0413 -7.8815 -7.8815 -7.8815 -7.8815 -0.7354 -0.7354 -0.7354 -0.7354 4.2527 4.2527 4.2527 4.2527 4.3062 4.3062 4.3062 4.3062 4.9822 4.9822 4.9822 4.9822 5.5998 5.5998 5.5998 5.5998 5.6588 5.6588 5.6588 5.6588 5.9773 5.9773 5.9773 5.9773 7.3849 7.3849 7.3849 7.3849 7.7582 7.7582 7.7582 7.7582 9.9100 9.9100 9.9100 9.9100 12.5205 12.5205 12.5205 12.5205 12.7971 12.7971 k = 0.0128 0.0074 0.2686 ( 5094 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0785 -9.0785 -9.0785 -9.0785 -8.0416 -8.0416 -8.0416 -8.0416 -7.8816 -7.8816 -7.8816 -7.8816 -0.7338 -0.7338 -0.7338 -0.7338 4.2527 4.2527 4.2527 4.2527 4.3061 4.3061 4.3061 4.3061 4.9821 4.9821 4.9821 4.9821 5.5987 5.5987 5.5987 5.5987 5.6602 5.6602 5.6602 5.6602 5.9782 5.9782 5.9782 5.9782 7.3839 7.3839 7.3839 7.3839 7.7567 7.7567 7.7567 7.7567 9.9139 9.9139 9.9139 9.9139 12.5131 12.5131 12.5131 12.5131 12.7935 12.7935 k = 0.0256 0.0148 0.2686 ( 5094 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0790 -9.0790 -9.0790 -9.0790 -8.0427 -8.0427 -8.0427 -8.0427 -7.8817 -7.8817 -7.8817 -7.8817 -0.7290 -0.7290 -0.7290 -0.7290 4.2528 4.2528 4.2528 4.2528 4.3058 4.3058 4.3058 4.3058 4.9816 4.9816 4.9816 4.9816 5.5957 5.5957 5.5957 5.5957 5.6640 5.6640 5.6640 5.6640 5.9810 5.9810 5.9810 5.9810 7.3809 7.3809 7.3809 7.3809 7.7523 7.7523 7.7523 7.7523 9.9252 9.9252 9.9252 9.9252 12.4909 12.4909 12.4909 12.4909 12.7824 12.7824 k = 0.0385 0.0222 0.2686 ( 5094 PWs) bands (ev): -26.0737 -26.0737 -26.0737 -26.0737 -9.0799 -9.0799 -9.0799 -9.0799 -8.0444 -8.0444 -8.0444 -8.0444 -7.8820 -7.8820 -7.8820 -7.8820 -0.7210 -0.7210 -0.7210 -0.7210 4.2528 4.2528 4.2528 4.2528 4.3054 4.3054 4.3054 4.3054 4.9809 4.9809 4.9809 4.9809 5.5917 5.5917 5.5917 5.5917 5.6697 5.6697 5.6697 5.6697 5.9857 5.9857 5.9857 5.9857 7.3756 7.3756 7.3756 7.3756 7.7458 7.7458 7.7458 7.7458 9.9435 9.9435 9.9435 9.9435 12.4545 12.4545 12.4545 12.4545 12.7636 12.7636 k = 0.0513 0.0296 0.2686 ( 5090 PWs) bands (ev): -26.0736 -26.0736 -26.0736 -26.0736 -9.0812 -9.0812 -9.0812 -9.0812 -8.0469 -8.0469 -8.0469 -8.0469 -7.8823 -7.8823 -7.8823 -7.8823 -0.7099 -0.7099 -0.7099 -0.7099 4.2528 4.2528 4.2528 4.2528 4.3049 4.3049 4.3049 4.3049 4.9799 4.9799 4.9799 4.9799 5.5872 5.5872 5.5872 5.5872 5.6764 5.6764 5.6764 5.6764 5.9919 5.9919 5.9919 5.9919 7.3676 7.3676 7.3676 7.3676 7.7383 7.7383 7.7383 7.7383 9.9676 9.9676 9.9676 9.9676 12.4047 12.4047 12.4047 12.4047 12.7367 12.7367 k = 0.0641 0.0370 0.2686 ( 5090 PWs) bands (ev): -26.0735 -26.0735 -26.0735 -26.0735 -9.0829 -9.0829 -9.0829 -9.0829 -8.0500 -8.0500 -8.0500 -8.0500 -7.8827 -7.8827 -7.8827 -7.8827 -0.6957 -0.6957 -0.6957 -0.6957 4.2525 4.2525 4.2525 4.2525 4.3044 4.3044 4.3044 4.3044 4.9785 4.9785 4.9785 4.9785 5.5829 5.5829 5.5829 5.5829 5.6837 5.6837 5.6837 5.6837 5.9996 5.9996 5.9996 5.9996 7.3563 7.3563 7.3563 7.3563 7.7310 7.7310 7.7310 7.7310 9.9964 9.9964 9.9964 9.9964 12.3429 12.3429 12.3429 12.3429 12.7014 12.7014 k = 0.0769 0.0444 0.2686 ( 5096 PWs) bands (ev): -26.0733 -26.0733 -26.0733 -26.0733 -9.0848 -9.0848 -9.0848 -9.0848 -8.0537 -8.0537 -8.0537 -8.0537 -7.8832 -7.8832 -7.8832 -7.8832 -0.6785 -0.6785 -0.6785 -0.6785 4.2519 4.2519 4.2519 4.2519 4.3042 4.3042 4.3042 4.3042 4.9768 4.9768 4.9768 4.9768 5.5792 5.5792 5.5792 5.5792 5.6914 5.6914 5.6914 5.6914 6.0086 6.0086 6.0086 6.0086 7.3415 7.3415 7.3415 7.3415 7.7253 7.7253 7.7253 7.7253 10.0282 10.0282 10.0282 10.0282 12.2709 12.2709 12.2709 12.2709 12.6583 12.6583 k = 0.0897 0.0518 0.2686 ( 5078 PWs) bands (ev): -26.0731 -26.0731 -26.0731 -26.0731 -9.0872 -9.0872 -9.0872 -9.0872 -8.0580 -8.0580 -8.0580 -8.0580 -7.8837 -7.8837 -7.8837 -7.8837 -0.6584 -0.6584 -0.6584 -0.6584 4.2507 4.2507 4.2507 4.2507 4.3045 4.3045 4.3045 4.3045 4.9747 4.9747 4.9747 4.9747 5.5764 5.5764 5.5764 5.5764 5.6993 5.6993 5.6993 5.6993 6.0185 6.0185 6.0185 6.0185 7.3229 7.3229 7.3229 7.3229 7.7223 7.7223 7.7223 7.7223 10.0611 10.0611 10.0611 10.0611 12.1912 12.1912 12.1912 12.1912 12.6088 12.6088 k = 0.1026 0.0592 0.2686 ( 5078 PWs) bands (ev): -26.0729 -26.0729 -26.0729 -26.0729 -9.0898 -9.0898 -9.0898 -9.0898 -8.0630 -8.0630 -8.0630 -8.0630 -7.8843 -7.8843 -7.8843 -7.8843 -0.6355 -0.6355 -0.6355 -0.6355 4.2490 4.2490 4.2490 4.2490 4.3052 4.3052 4.3052 4.3052 4.9722 4.9722 4.9722 4.9722 5.5745 5.5745 5.5745 5.5745 5.7072 5.7072 5.7072 5.7072 6.0291 6.0291 6.0291 6.0291 7.3009 7.3009 7.3009 7.3009 7.7228 7.7228 7.7228 7.7228 10.0931 10.0931 10.0931 10.0931 12.1067 12.1067 12.1067 12.1067 12.5543 12.5543 k = 0.1154 0.0666 0.2686 ( 5086 PWs) bands (ev): -26.0726 -26.0726 -26.0726 -26.0726 -9.0928 -9.0928 -9.0928 -9.0928 -8.0685 -8.0685 -8.0685 -8.0685 -7.8849 -7.8849 -7.8849 -7.8849 -0.6100 -0.6100 -0.6100 -0.6100 4.2466 4.2466 4.2466 4.2466 4.3065 4.3065 4.3065 4.3065 4.9693 4.9693 4.9693 4.9693 5.5737 5.5737 5.5737 5.5737 5.7151 5.7151 5.7151 5.7151 6.0401 6.0401 6.0401 6.0401 7.2761 7.2761 7.2761 7.2761 7.7272 7.7272 7.7272 7.7272 10.1219 10.1219 10.1219 10.1219 12.0205 12.0205 12.0205 12.0205 12.4965 12.4965 k = 0.1282 0.0740 0.2686 ( 5088 PWs) bands (ev): -26.0724 -26.0724 -26.0724 -26.0724 -9.0960 -9.0960 -9.0960 -9.0960 -8.0745 -8.0745 -8.0745 -8.0745 -7.8856 -7.8856 -7.8856 -7.8856 -0.5820 -0.5820 -0.5820 -0.5820 4.2436 4.2436 4.2436 4.2436 4.3085 4.3085 4.3085 4.3085 4.9660 4.9660 4.9660 4.9660 5.5741 5.5741 5.5741 5.5741 5.7229 5.7229 5.7229 5.7229 6.0512 6.0512 6.0512 6.0512 7.2493 7.2493 7.2493 7.2493 7.7354 7.7354 7.7354 7.7354 10.1451 10.1451 10.1451 10.1451 11.9359 11.9359 11.9359 11.9359 12.4367 12.4367 k = 0.1410 0.0814 0.2686 ( 5080 PWs) bands (ev): -26.0721 -26.0721 -26.0721 -26.0721 -9.0996 -9.0996 -9.0996 -9.0996 -8.0809 -8.0809 -8.0809 -8.0809 -7.8862 -7.8862 -7.8862 -7.8862 -0.5516 -0.5516 -0.5516 -0.5516 4.2400 4.2400 4.2400 4.2400 4.3111 4.3111 4.3111 4.3111 4.9623 4.9623 4.9623 4.9623 5.5756 5.5756 5.5756 5.5756 5.7307 5.7307 5.7307 5.7307 6.0619 6.0619 6.0619 6.0619 7.2217 7.2217 7.2217 7.2217 7.7473 7.7473 7.7473 7.7473 10.1601 10.1601 10.1601 10.1601 11.8562 11.8562 11.8563 11.8563 12.3758 12.3758 k = 0.1538 0.0888 0.2686 ( 5086 PWs) bands (ev): -26.0718 -26.0718 -26.0718 -26.0718 -9.1034 -9.1034 -9.1034 -9.1034 -8.0878 -8.0878 -8.0878 -8.0878 -7.8869 -7.8869 -7.8869 -7.8869 -0.5191 -0.5191 -0.5191 -0.5191 4.2360 4.2360 4.2360 4.2360 4.3141 4.3141 4.3141 4.3141 4.9581 4.9581 4.9581 4.9581 5.5783 5.5783 5.5783 5.5783 5.7384 5.7384 5.7384 5.7384 6.0721 6.0721 6.0721 6.0721 7.1944 7.1944 7.1944 7.1944 7.7627 7.7627 7.7627 7.7627 10.1643 10.1643 10.1643 10.1643 11.7846 11.7846 11.7846 11.7846 12.3146 12.3146 k = 0.1667 0.0962 0.2686 ( 5078 PWs) bands (ev): -26.0714 -26.0714 -26.0714 -26.0714 -9.1074 -9.1074 -9.1074 -9.1074 -8.0951 -8.0951 -8.0951 -8.0951 -7.8875 -7.8875 -7.8875 -7.8875 -0.4845 -0.4845 -0.4845 -0.4845 4.2318 4.2318 4.2318 4.2318 4.3176 4.3176 4.3176 4.3176 4.9536 4.9536 4.9536 4.9536 5.5820 5.5820 5.5820 5.5820 5.7459 5.7459 5.7459 5.7459 6.0813 6.0813 6.0813 6.0813 7.1684 7.1684 7.1684 7.1684 7.7812 7.7812 7.7812 7.7812 10.1556 10.1556 10.1556 10.1556 11.7234 11.7234 11.7234 11.7234 12.2536 12.2536 k = 0.1795 0.1036 0.2686 ( 5072 PWs) bands (ev): -26.0711 -26.0711 -26.0711 -26.0711 -9.1117 -9.1117 -9.1117 -9.1117 -8.1026 -8.1026 -8.1026 -8.1026 -7.8882 -7.8882 -7.8882 -7.8882 -0.4482 -0.4482 -0.4482 -0.4482 4.2274 4.2274 4.2274 4.2274 4.3214 4.3214 4.3214 4.3214 4.9487 4.9487 4.9487 4.9487 5.5867 5.5867 5.5867 5.5867 5.7533 5.7533 5.7533 5.7533 6.0893 6.0893 6.0893 6.0893 7.1447 7.1447 7.1447 7.1447 7.8026 7.8026 7.8026 7.8026 10.1325 10.1325 10.1325 10.1325 11.6747 11.6747 11.6747 11.6747 12.1935 12.1935 k = 0.1923 0.1110 0.2686 ( 5072 PWs) bands (ev): -26.0708 -26.0708 -26.0708 -26.0708 -9.1161 -9.1161 -9.1161 -9.1161 -8.1104 -8.1104 -8.1104 -8.1104 -7.8888 -7.8888 -7.8888 -7.8888 -0.4103 -0.4103 -0.4103 -0.4103 4.2230 4.2230 4.2230 4.2230 4.3254 4.3254 4.3254 4.3254 4.9434 4.9434 4.9434 4.9434 5.5922 5.5922 5.5922 5.5922 5.7604 5.7604 5.7604 5.7604 6.0958 6.0958 6.0958 6.0958 7.1242 7.1242 7.1242 7.1242 7.8265 7.8265 7.8265 7.8265 10.0944 10.0944 10.0944 10.0944 11.6391 11.6391 11.6391 11.6391 12.1346 12.1346 k = 0.2051 0.1184 0.2686 ( 5084 PWs) bands (ev): -26.0704 -26.0704 -26.0704 -26.0704 -9.1208 -9.1208 -9.1208 -9.1208 -8.1184 -8.1184 -8.1184 -8.1184 -7.8894 -7.8894 -7.8894 -7.8894 -0.3711 -0.3711 -0.3711 -0.3711 4.2188 4.2188 4.2188 4.2188 4.3295 4.3295 4.3295 4.3295 4.9377 4.9377 4.9377 4.9377 5.5982 5.5982 5.5982 5.5982 5.7672 5.7672 5.7672 5.7672 6.1008 6.1008 6.1008 6.1008 7.1075 7.1075 7.1075 7.1075 7.8527 7.8527 7.8527 7.8527 10.0418 10.0418 10.0418 10.0418 11.6161 11.6161 11.6161 11.6161 12.0776 12.0776 k = 0.2179 0.1258 0.2686 ( 5086 PWs) bands (ev): -26.0700 -26.0700 -26.0700 -26.0700 -9.1255 -9.1255 -9.1255 -9.1255 -8.1265 -8.1265 -8.1265 -8.1265 -7.8900 -7.8900 -7.8900 -7.8900 -0.3308 -0.3308 -0.3308 -0.3308 4.2149 4.2149 4.2149 4.2149 4.3338 4.3338 4.3338 4.3338 4.9317 4.9317 4.9317 4.9317 5.6047 5.6047 5.6047 5.6047 5.7737 5.7737 5.7737 5.7737 6.1040 6.1040 6.1040 6.1040 7.0953 7.0953 7.0953 7.0953 7.8810 7.8810 7.8810 7.8810 9.9762 9.9762 9.9762 9.9762 11.6041 11.6041 11.6041 11.6041 12.0229 12.0229 k = 0.2308 0.1332 0.2686 ( 5086 PWs) bands (ev): -26.0696 -26.0696 -26.0696 -26.0696 -9.1304 -9.1304 -9.1304 -9.1304 -8.1346 -8.1346 -8.1346 -8.1346 -7.8905 -7.8905 -7.8905 -7.8905 -0.2896 -0.2896 -0.2896 -0.2896 4.2114 4.2114 4.2114 4.2114 4.3380 4.3380 4.3380 4.3380 4.9253 4.9253 4.9253 4.9253 5.6114 5.6114 5.6114 5.6114 5.7798 5.7798 5.7798 5.7798 6.1056 6.1056 6.1056 6.1056 7.0878 7.0878 7.0878 7.0878 7.9111 7.9111 7.9111 7.9111 9.8998 9.8998 9.8998 9.8998 11.6007 11.6007 11.6007 11.6007 11.9714 11.9714 k = 0.2436 0.1406 0.2686 ( 5104 PWs) bands (ev): -26.0692 -26.0692 -26.0692 -26.0692 -9.1353 -9.1353 -9.1353 -9.1353 -8.1428 -8.1428 -8.1428 -8.1428 -7.8910 -7.8910 -7.8910 -7.8910 -0.2479 -0.2479 -0.2479 -0.2479 4.2085 4.2085 4.2085 4.2085 4.3421 4.3421 4.3421 4.3421 4.9186 4.9186 4.9186 4.9186 5.6181 5.6181 5.6181 5.6181 5.7855 5.7855 5.7855 5.7855 6.1057 6.1057 6.1057 6.1057 7.0854 7.0854 7.0854 7.0854 7.9427 7.9427 7.9427 7.9427 9.8150 9.8150 9.8150 9.8150 11.6028 11.6028 11.6028 11.6028 11.9242 11.9242 k = 0.2564 0.1480 0.2686 ( 5104 PWs) bands (ev): -26.0689 -26.0689 -26.0689 -26.0689 -9.1403 -9.1403 -9.1403 -9.1403 -8.1510 -8.1510 -8.1510 -8.1510 -7.8915 -7.8915 -7.8915 -7.8915 -0.2058 -0.2058 -0.2058 -0.2058 4.2063 4.2063 4.2063 4.2063 4.3462 4.3462 4.3462 4.3462 4.9115 4.9115 4.9115 4.9115 5.6245 5.6245 5.6245 5.6245 5.7908 5.7908 5.7908 5.7908 6.1045 6.1045 6.1045 6.1045 7.0880 7.0880 7.0880 7.0880 7.9757 7.9757 7.9757 7.9757 9.7240 9.7240 9.7240 9.7240 11.6068 11.6068 11.6068 11.6068 11.8832 11.8832 k = 0.2692 0.1554 0.2686 ( 5104 PWs) bands (ev): -26.0685 -26.0685 -26.0685 -26.0685 -9.1453 -9.1453 -9.1453 -9.1453 -8.1590 -8.1590 -8.1590 -8.1590 -7.8920 -7.8920 -7.8920 -7.8920 -0.1636 -0.1636 -0.1636 -0.1636 4.2049 4.2049 4.2049 4.2049 4.3500 4.3500 4.3500 4.3500 4.9042 4.9042 4.9042 4.9042 5.6304 5.6304 5.6304 5.6304 5.7957 5.7957 5.7957 5.7957 6.1023 6.1023 6.1023 6.1023 7.0954 7.0954 7.0954 7.0954 8.0097 8.0097 8.0097 8.0097 9.6289 9.6289 9.6289 9.6289 11.6082 11.6082 11.6082 11.6082 11.8510 11.8510 k = 0.2821 0.1628 0.2686 ( 5096 PWs) bands (ev): -26.0681 -26.0681 -26.0681 -26.0681 -9.1503 -9.1503 -9.1503 -9.1503 -8.1669 -8.1669 -8.1669 -8.1669 -7.8924 -7.8924 -7.8924 -7.8924 -0.1216 -0.1216 -0.1216 -0.1216 4.2043 4.2043 4.2043 4.2043 4.3536 4.3536 4.3536 4.3536 4.8965 4.8965 4.8965 4.8965 5.6356 5.6356 5.6356 5.6356 5.8001 5.8001 5.8001 5.8001 6.0996 6.0996 6.0996 6.0996 7.1074 7.1074 7.1074 7.1074 8.0446 8.0446 8.0446 8.0446 9.5314 9.5314 9.5314 9.5314 11.6026 11.6026 11.6026 11.6026 11.8309 11.8309 k = 0.2949 0.1702 0.2686 ( 5096 PWs) bands (ev): -26.0677 -26.0677 -26.0677 -26.0677 -9.1553 -9.1553 -9.1553 -9.1553 -8.1746 -8.1746 -8.1746 -8.1746 -7.8928 -7.8928 -7.8928 -7.8928 -0.0801 -0.0801 -0.0801 -0.0801 4.2047 4.2047 4.2047 4.2047 4.3569 4.3569 4.3569 4.3569 4.8886 4.8886 4.8886 4.8886 5.6397 5.6397 5.6397 5.6397 5.8042 5.8042 5.8042 5.8042 6.0968 6.0968 6.0968 6.0968 7.1236 7.1236 7.1236 7.1236 8.0801 8.0801 8.0801 8.0801 9.4331 9.4331 9.4331 9.4331 11.5874 11.5874 11.5874 11.5874 11.8239 11.8239 k = 0.3077 0.1776 0.2686 ( 5096 PWs) bands (ev): -26.0674 -26.0674 -26.0674 -26.0674 -9.1601 -9.1601 -9.1601 -9.1601 -8.1821 -8.1821 -8.1821 -8.1821 -7.8932 -7.8932 -7.8932 -7.8932 -0.0394 -0.0394 -0.0394 -0.0394 4.2060 4.2060 4.2060 4.2060 4.3599 4.3599 4.3599 4.3599 4.8804 4.8804 4.8804 4.8804 5.6428 5.6428 5.6428 5.6428 5.8081 5.8081 5.8081 5.8081 6.0941 6.0941 6.0941 6.0941 7.1437 7.1437 7.1437 7.1437 8.1158 8.1158 8.1158 8.1158 9.3353 9.3353 9.3353 9.3353 11.5638 11.5638 11.5638 11.5638 11.8279 11.8279 k = 0.3205 0.1850 0.2686 ( 5104 PWs) bands (ev): -26.0670 -26.0670 -26.0670 -26.0670 -9.1649 -9.1649 -9.1649 -9.1649 -8.1893 -8.1893 -8.1893 -8.1893 -7.8935 -7.8935 -7.8935 -7.8935 0.0003 0.0003 0.0003 0.0003 4.2084 4.2084 4.2084 4.2084 4.3625 4.3625 4.3625 4.3625 4.8720 4.8720 4.8720 4.8720 5.6445 5.6445 5.6445 5.6445 5.8118 5.8118 5.8118 5.8118 6.0918 6.0918 6.0918 6.0918 7.1670 7.1670 7.1670 7.1670 8.1514 8.1514 8.1514 8.1514 9.2389 9.2389 9.2389 9.2389 11.5350 11.5350 11.5350 11.5350 11.8385 11.8385 k = 0.3333 0.1925 0.2686 ( 5110 PWs) bands (ev): -26.0667 -26.0667 -26.0667 -26.0667 -9.1695 -9.1695 -9.1695 -9.1695 -8.1961 -8.1961 -8.1961 -8.1961 -7.8938 -7.8938 -7.8938 -7.8938 0.0386 0.0386 0.0386 0.0386 4.2118 4.2118 4.2118 4.2118 4.3646 4.3646 4.3646 4.3646 4.8634 4.8634 4.8634 4.8634 5.6450 5.6450 5.6450 5.6450 5.8154 5.8154 5.8154 5.8154 6.0901 6.0901 6.0901 6.0901 7.1931 7.1931 7.1931 7.1931 8.1867 8.1867 8.1867 8.1867 9.1450 9.1450 9.1450 9.1450 11.5039 11.5039 11.5039 11.5039 11.8514 11.8514 k = 0.3462 0.1999 0.2686 ( 5110 PWs) bands (ev): -26.0663 -26.0663 -26.0663 -26.0663 -9.1739 -9.1739 -9.1739 -9.1739 -8.2026 -8.2026 -8.2026 -8.2026 -7.8941 -7.8941 -7.8941 -7.8941 0.0754 0.0754 0.0754 0.0754 4.2161 4.2161 4.2161 4.2161 4.3664 4.3664 4.3664 4.3664 4.8548 4.8548 4.8548 4.8548 5.6442 5.6442 5.6442 5.6442 5.8189 5.8189 5.8189 5.8189 6.0891 6.0891 6.0891 6.0891 7.2214 7.2214 7.2214 7.2214 8.2212 8.2212 8.2212 8.2212 9.0543 9.0543 9.0543 9.0543 11.4725 11.4725 11.4725 11.4725 11.8633 11.8633 k = 0.3590 0.2073 0.2686 ( 5106 PWs) bands (ev): -26.0660 -26.0660 -26.0660 -26.0660 -9.1780 -9.1780 -9.1780 -9.1780 -8.2087 -8.2087 -8.2087 -8.2087 -7.8943 -7.8943 -7.8943 -7.8943 0.1104 0.1104 0.1104 0.1104 4.2214 4.2214 4.2214 4.2214 4.3676 4.3676 4.3676 4.3676 4.8460 4.8460 4.8460 4.8460 5.6423 5.6423 5.6423 5.6423 5.8225 5.8225 5.8225 5.8225 6.0887 6.0887 6.0887 6.0887 7.2514 7.2514 7.2514 7.2514 8.2545 8.2545 8.2545 8.2545 8.9676 8.9676 8.9676 8.9676 11.4418 11.4418 11.4418 11.4418 11.8709 11.8709 k = 0.3718 0.2147 0.2686 ( 5110 PWs) bands (ev): -26.0657 -26.0657 -26.0657 -26.0657 -9.1820 -9.1820 -9.1820 -9.1820 -8.2143 -8.2143 -8.2143 -8.2143 -7.8945 -7.8945 -7.8945 -7.8945 0.1432 0.1432 0.1432 0.1432 4.2276 4.2276 4.2276 4.2276 4.3683 4.3683 4.3683 4.3683 4.8373 4.8373 4.8373 4.8373 5.6394 5.6394 5.6394 5.6394 5.8260 5.8260 5.8260 5.8260 6.0891 6.0891 6.0891 6.0891 7.2825 7.2825 7.2825 7.2825 8.2864 8.2864 8.2864 8.2864 8.8855 8.8855 8.8855 8.8855 11.4126 11.4126 11.4126 11.4126 11.8713 11.8713 k = 0.3846 0.2221 0.2686 ( 5110 PWs) bands (ev): -26.0655 -26.0655 -26.0655 -26.0655 -9.1856 -9.1856 -9.1856 -9.1856 -8.2195 -8.2195 -8.2195 -8.2195 -7.8947 -7.8947 -7.8947 -7.8947 0.1737 0.1737 0.1737 0.1737 4.2345 4.2345 4.2345 4.2345 4.3685 4.3685 4.3685 4.3685 4.8288 4.8288 4.8288 4.8288 5.6359 5.6359 5.6359 5.6359 5.8294 5.8294 5.8294 5.8294 6.0899 6.0899 6.0899 6.0899 7.3140 7.3140 7.3140 7.3140 8.3161 8.3161 8.3161 8.3161 8.8089 8.8089 8.8089 8.8089 11.3852 11.3852 11.3852 11.3852 11.8615 11.8615 k = 0.3974 0.2295 0.2686 ( 5116 PWs) bands (ev): -26.0652 -26.0652 -26.0652 -26.0652 -9.1890 -9.1890 -9.1890 -9.1890 -8.2242 -8.2242 -8.2242 -8.2242 -7.8949 -7.8949 -7.8949 -7.8949 0.2017 0.2017 0.2017 0.2017 4.2420 4.2420 4.2420 4.2420 4.3682 4.3682 4.3682 4.3682 4.8206 4.8206 4.8206 4.8206 5.6319 5.6319 5.6319 5.6319 5.8327 5.8327 5.8327 5.8327 6.0912 6.0912 6.0912 6.0912 7.3455 7.3455 7.3455 7.3455 8.3433 8.3433 8.3433 8.3433 8.7383 8.7383 8.7383 8.7383 11.3598 11.3598 11.3598 11.3598 11.8406 11.8406 k = 0.4103 0.2369 0.2686 ( 5108 PWs) bands (ev): -26.0650 -26.0650 -26.0650 -26.0650 -9.1920 -9.1920 -9.1920 -9.1920 -8.2284 -8.2284 -8.2284 -8.2284 -7.8951 -7.8951 -7.8951 -7.8951 0.2269 0.2269 0.2269 0.2269 4.2498 4.2498 4.2498 4.2498 4.3673 4.3673 4.3673 4.3673 4.8128 4.8128 4.8128 4.8128 5.6278 5.6278 5.6278 5.6278 5.8358 5.8358 5.8358 5.8358 6.0927 6.0927 6.0927 6.0927 7.3761 7.3761 7.3761 7.3761 8.3672 8.3672 8.3672 8.3672 8.6749 8.6749 8.6749 8.6749 11.3368 11.3368 11.3368 11.3368 11.8101 11.8101 k = 0.4231 0.2443 0.2686 ( 5104 PWs) bands (ev): -26.0648 -26.0648 -26.0648 -26.0648 -9.1946 -9.1946 -9.1946 -9.1946 -8.2321 -8.2321 -8.2321 -8.2321 -7.8952 -7.8952 -7.8952 -7.8952 0.2491 0.2491 0.2491 0.2491 4.2579 4.2579 4.2579 4.2579 4.3659 4.3659 4.3659 4.3659 4.8055 4.8055 4.8055 4.8055 5.6237 5.6237 5.6237 5.6237 5.8387 5.8387 5.8387 5.8387 6.0943 6.0943 6.0943 6.0943 7.4051 7.4051 7.4051 7.4051 8.3869 8.3869 8.3869 8.3869 8.6197 8.6197 8.6197 8.6197 11.3162 11.3162 11.3162 11.3162 11.7744 11.7744 k = 0.4359 0.2517 0.2686 ( 5112 PWs) bands (ev): -26.0646 -26.0646 -26.0646 -26.0646 -9.1969 -9.1969 -9.1969 -9.1969 -8.2352 -8.2352 -8.2352 -8.2352 -7.8953 -7.8953 -7.8953 -7.8953 0.2682 0.2682 0.2682 0.2682 4.2659 4.2659 4.2659 4.2659 4.3641 4.3641 4.3641 4.3641 4.7990 4.7990 4.7990 4.7990 5.6200 5.6200 5.6200 5.6200 5.8412 5.8412 5.8412 5.8412 6.0960 6.0960 6.0960 6.0960 7.4319 7.4319 7.4319 7.4319 8.4008 8.4008 8.4008 8.4008 8.5746 8.5746 8.5746 8.5746 11.2982 11.2982 11.2982 11.2982 11.7379 11.7379 k = 0.4487 0.2591 0.2686 ( 5112 PWs) bands (ev): -26.0645 -26.0645 -26.0645 -26.0645 -9.1988 -9.1988 -9.1988 -9.1988 -8.2378 -8.2378 -8.2378 -8.2378 -7.8954 -7.8954 -7.8954 -7.8954 0.2840 0.2840 0.2840 0.2840 4.2735 4.2735 4.2735 4.2735 4.3619 4.3619 4.3619 4.3619 4.7934 4.7934 4.7934 4.7934 5.6167 5.6167 5.6167 5.6167 5.8433 5.8433 5.8433 5.8433 6.0975 6.0975 6.0975 6.0975 7.4554 7.4554 7.4554 7.4554 8.4069 8.4069 8.4069 8.4069 8.5420 8.5420 8.5420 8.5420 11.2830 11.2830 11.2830 11.2830 11.7045 11.7045 k = 0.4615 0.2665 0.2686 ( 5118 PWs) bands (ev): -26.0644 -26.0644 -26.0644 -26.0644 -9.2003 -9.2003 -9.2003 -9.2003 -8.2398 -8.2398 -8.2398 -8.2398 -7.8954 -7.8954 -7.8954 -7.8954 0.2965 0.2965 0.2965 0.2965 4.2802 4.2802 4.2802 4.2802 4.3596 4.3596 4.3596 4.3596 4.7888 4.7888 4.7888 4.7888 5.6139 5.6139 5.6139 5.6139 5.8449 5.8449 5.8449 5.8449 6.0988 6.0988 6.0988 6.0988 7.4750 7.4750 7.4750 7.4750 8.4043 8.4043 8.4043 8.4043 8.5232 8.5232 8.5232 8.5232 11.2707 11.2707 11.2707 11.2707 11.6766 11.6766 k = 0.4744 0.2739 0.2686 ( 5132 PWs) bands (ev): -26.0643 -26.0643 -26.0643 -26.0643 -9.2014 -9.2014 -9.2014 -9.2014 -8.2413 -8.2413 -8.2413 -8.2413 -7.8955 -7.8955 -7.8955 -7.8955 0.3054 0.3054 0.3054 0.3054 4.2856 4.2856 4.2856 4.2856 4.3575 4.3575 4.3575 4.3575 4.7854 4.7854 4.7854 4.7854 5.6119 5.6119 5.6119 5.6119 5.8461 5.8461 5.8461 5.8461 6.0998 6.0998 6.0998 6.0998 7.4896 7.4896 7.4896 7.4896 8.3964 8.3964 8.3964 8.3964 8.5154 8.5154 8.5154 8.5154 11.2618 11.2618 11.2618 11.2618 11.6558 11.6558 k = 0.4872 0.2813 0.2686 ( 5136 PWs) bands (ev): -26.0643 -26.0643 -26.0643 -26.0643 -9.2020 -9.2020 -9.2020 -9.2020 -8.2422 -8.2422 -8.2422 -8.2422 -7.8955 -7.8955 -7.8955 -7.8955 0.3108 0.3108 0.3108 0.3108 4.2892 4.2892 4.2892 4.2892 4.3560 4.3560 4.3560 4.3560 4.7834 4.7834 4.7834 4.7834 5.6107 5.6107 5.6107 5.6107 5.8469 5.8469 5.8469 5.8469 6.1004 6.1004 6.1004 6.1004 7.4988 7.4988 7.4988 7.4988 8.3889 8.3889 8.3889 8.3889 8.5132 8.5132 8.5132 8.5132 11.2563 11.2563 11.2563 11.2563 11.6431 11.6431 k = 0.5000 0.2887 0.2686 ( 5116 PWs) bands (ev): -26.0643 -26.0643 -26.0643 -26.0643 -9.2023 -9.2023 -9.2023 -9.2023 -8.2425 -8.2425 -8.2425 -8.2425 -7.8955 -7.8955 -7.8955 -7.8955 0.3126 0.3126 0.3126 0.3126 4.2905 4.2905 4.2905 4.2905 4.3554 4.3554 4.3554 4.3554 4.7827 4.7827 4.7827 4.7827 5.6103 5.6103 5.6103 5.6103 5.8471 5.8471 5.8471 5.8471 6.1006 6.1006 6.1006 6.1006 7.5019 7.5019 7.5019 7.5019 8.3860 8.3860 8.3860 8.3860 8.5129 8.5129 8.5129 8.5129 11.2544 11.2544 11.2544 11.2544 11.6388 11.6388 k = 0.5000 0.2887 0.2686 ( 5116 PWs) bands (ev): -26.0643 -26.0643 -26.0643 -26.0643 -9.2023 -9.2023 -9.2023 -9.2023 -8.2425 -8.2425 -8.2425 -8.2425 -7.8955 -7.8955 -7.8955 -7.8955 0.3126 0.3126 0.3126 0.3126 4.2905 4.2905 4.2905 4.2905 4.3554 4.3554 4.3554 4.3554 4.7827 4.7827 4.7827 4.7827 5.6103 5.6103 5.6103 5.6103 5.8471 5.8471 5.8471 5.8471 6.1006 6.1006 6.1006 6.1006 7.5019 7.5019 7.5019 7.5019 8.3860 8.3860 8.3860 8.3860 8.5129 8.5129 8.5129 8.5129 11.2544 11.2544 11.2544 11.2544 11.6388 11.6388 k = 0.4928 0.3012 0.2686 ( 5126 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2059 -9.2059 -9.1987 -9.1987 -8.2481 -8.2481 -8.2370 -8.2370 -7.8968 -7.8968 -7.8944 -7.8944 0.3100 0.3100 0.3165 0.3165 4.2849 4.2849 4.2964 4.2964 4.3496 4.3496 4.3621 4.3621 4.7830 4.7830 4.7840 4.7840 5.6070 5.6070 5.6117 5.6117 5.8435 5.8435 5.8528 5.8528 6.0985 6.0985 6.1026 6.1026 7.4934 7.4934 7.5087 7.5087 8.3046 8.3046 8.4061 8.4061 8.4976 8.4976 8.5896 8.5896 11.2300 11.2300 11.2715 11.2715 11.6311 11.6313 k = 0.4855 0.3138 0.2686 ( 5130 PWs) bands (ev): -26.0642 -26.0642 -26.0642 -26.0642 -9.2096 -9.2096 -9.1951 -9.1951 -8.2540 -8.2540 -8.2317 -8.2317 -7.8982 -7.8982 -7.8934 -7.8934 0.3087 0.3087 0.3216 0.3216 4.2801 4.2801 4.3016 4.3016 4.3458 4.3458 4.3691 4.3691 4.7849 4.7849 4.7869 4.7869 5.6018 5.6018 5.6114 5.6114 5.8420 5.8420 5.8603 5.8603 6.0963 6.0963 6.1046 6.1046 7.4828 7.4828 7.5135 7.5135 8.2197 8.2197 8.3370 8.3370 8.5719 8.5719 8.6703 8.6703 11.1993 11.1993 11.2807 11.2807 11.6148 11.6149 k = 0.4783 0.3263 0.2686 ( 5122 PWs) bands (ev): -26.0642 -26.0642 -26.0642 -26.0642 -9.2132 -9.2132 -9.1916 -9.1916 -8.2601 -8.2601 -8.2267 -8.2267 -7.8997 -7.8997 -7.8925 -7.8925 0.3086 0.3086 0.3279 0.3279 4.2761 4.2761 4.3039 4.3039 4.3460 4.3460 4.3764 4.3764 4.7883 4.7883 4.7915 4.7915 5.5949 5.5949 5.6097 5.6097 5.8426 5.8426 5.8692 5.8692 6.0939 6.0939 6.1066 6.1066 7.4693 7.4693 7.5153 7.5153 8.1369 8.1369 8.2641 8.2641 8.6516 8.6516 8.7503 8.7503 11.1633 11.1633 11.2816 11.2816 11.5913 11.5913 k = 0.4710 0.3389 0.2686 ( 5118 PWs) bands (ev): -26.0642 -26.0642 -26.0641 -26.0641 -9.2169 -9.2169 -9.1882 -9.1882 -8.2662 -8.2662 -8.2220 -8.2220 -7.9013 -7.9013 -7.8917 -7.8917 0.3098 0.3098 0.3354 0.3354 4.2730 4.2730 4.3020 4.3020 4.3517 4.3517 4.3837 4.3837 4.7935 4.7935 4.7979 4.7979 5.5863 5.5863 5.6069 5.6069 5.8452 5.8452 5.8792 5.8792 6.0914 6.0914 6.1085 6.1085 7.4514 7.4514 7.5119 7.5119 8.0596 8.0596 8.1964 8.1964 8.7287 8.7287 8.8281 8.8281 11.1232 11.1232 11.2741 11.2741 11.5621 11.5621 k = 0.4638 0.3514 0.2686 ( 5116 PWs) bands (ev): -26.0642 -26.0642 -26.0641 -26.0641 -9.2205 -9.2205 -9.1849 -9.1849 -8.2725 -8.2725 -8.2176 -8.2176 -7.9030 -7.9030 -7.8911 -7.8911 0.3121 0.3121 0.3439 0.3439 4.2706 4.2706 4.2967 4.2967 4.3619 4.3619 4.3910 4.3910 4.8004 4.8004 4.8063 4.8063 5.5764 5.5764 5.6033 5.6033 5.8495 5.8495 5.8898 5.8898 6.0888 6.0888 6.1104 6.1104 7.4273 7.4273 7.4996 7.4996 7.9922 7.9922 8.1371 8.1371 8.8017 8.8017 8.9026 8.9026 11.0800 11.0800 11.2588 11.2588 11.5295 11.5295 k = 0.4565 0.3640 0.2686 ( 5112 PWs) bands (ev): -26.0641 -26.0641 -26.0640 -26.0640 -9.2241 -9.2241 -9.1817 -9.1817 -8.2788 -8.2788 -8.2135 -8.2135 -7.9048 -7.9048 -7.8906 -7.8906 0.3156 0.3156 0.3535 0.3535 4.2689 4.2689 4.2895 4.2895 4.3749 4.3749 4.3985 4.3985 4.8092 4.8092 4.8166 4.8166 5.5655 5.5655 5.5991 5.5991 5.8552 5.8552 5.9008 5.9008 6.0858 6.0858 6.1122 6.1122 7.3954 7.3954 7.4741 7.4741 7.9399 7.9399 8.0888 8.0888 8.8694 8.8694 8.9728 8.9728 11.0350 11.0350 11.2362 11.2362 11.4954 11.4954 k = 0.4493 0.3765 0.2686 ( 5122 PWs) bands (ev): -26.0641 -26.0641 -26.0640 -26.0640 -9.2276 -9.2276 -9.1786 -9.1786 -8.2852 -8.2852 -8.2096 -8.2096 -7.9066 -7.9066 -7.8901 -7.8901 0.3201 0.3201 0.3638 0.3638 4.2675 4.2675 4.2815 4.2815 4.3896 4.3896 4.4059 4.4059 4.8201 4.8201 4.8290 4.8290 5.5539 5.5539 5.5946 5.5946 5.8622 5.8622 5.9116 5.9116 6.0826 6.0826 6.1140 6.1140 7.3544 7.3544 7.4319 7.4319 7.9066 7.9066 8.0533 8.0533 8.9312 8.9312 9.0377 9.0377 10.9893 10.9893 11.2077 11.2077 11.4615 11.4615 k = 0.4420 0.3891 0.2686 ( 5116 PWs) bands (ev): -26.0640 -26.0640 -26.0639 -26.0639 -9.2310 -9.2310 -9.1757 -9.1757 -8.2915 -8.2915 -8.2061 -8.2061 -7.9085 -7.9085 -7.8898 -7.8898 0.3255 0.3255 0.3749 0.3749 4.2665 4.2665 4.2730 4.2730 4.4054 4.4054 4.4133 4.4133 4.8332 4.8332 4.8437 4.8437 5.5419 5.5419 5.5898 5.5898 5.8701 5.8701 5.9221 5.9221 6.0790 6.0790 6.1157 6.1157 7.3043 7.3043 7.3732 7.3732 7.8926 7.8926 8.0312 8.0312 8.9861 8.9861 9.0963 9.0963 10.9441 10.9441 11.1746 11.1746 11.4291 11.4291 k = 0.4348 0.4016 0.2686 ( 5108 PWs) bands (ev): -26.0639 -26.0639 -26.0638 -26.0638 -9.2343 -9.2343 -9.1730 -9.1730 -8.2977 -8.2977 -8.2029 -8.2029 -7.9104 -7.9104 -7.8895 -7.8895 0.3317 0.3317 0.3866 0.3866 4.2644 4.2644 4.2657 4.2657 4.4207 4.4207 4.4217 4.4217 4.8489 4.8489 4.8608 4.8608 5.5295 5.5295 5.5849 5.5849 5.8788 5.8788 5.9319 5.9319 6.0751 6.0751 6.1174 6.1174 7.2462 7.2462 7.3015 7.3015 7.8947 7.8947 8.0219 8.0219 9.0334 9.0334 9.1476 9.1476 10.9006 10.9006 11.1389 11.1389 11.3986 11.3986 k = 0.4275 0.4142 0.2686 ( 5112 PWs) bands (ev): -26.0639 -26.0639 -26.0637 -26.0637 -9.2375 -9.2375 -9.1704 -9.1704 -8.3038 -8.3038 -8.2000 -8.2000 -7.9123 -7.9123 -7.8894 -7.8894 0.3386 0.3386 0.3987 0.3987 4.2557 4.2557 4.2649 4.2649 4.4279 4.4279 4.4381 4.4381 4.8673 4.8673 4.8802 4.8802 5.5171 5.5171 5.5799 5.5799 5.8882 5.8882 5.9407 5.9407 6.0707 6.0707 6.1190 6.1190 7.1821 7.1821 7.2214 7.2214 7.9089 7.9089 8.0241 8.0241 9.0725 9.0725 9.1908 9.1908 10.8599 10.8599 11.1025 11.1025 11.3704 11.3704 k = 0.4203 0.4267 0.2686 ( 5106 PWs) bands (ev): -26.0638 -26.0638 -26.0637 -26.0637 -9.2406 -9.2406 -9.1680 -9.1680 -8.3098 -8.3098 -8.1974 -8.1974 -7.9141 -7.9141 -7.8892 -7.8892 0.3460 0.3460 0.4110 0.4110 4.2472 4.2472 4.2641 4.2641 4.4349 4.4349 4.4542 4.4542 4.8886 4.8886 4.9020 4.9020 5.5046 5.5046 5.5748 5.5748 5.8981 5.8981 5.9482 5.9482 6.0660 6.0660 6.1205 6.1205 7.1141 7.1141 7.1365 7.1365 7.9318 7.9318 8.0360 8.0360 9.1027 9.1027 9.2251 9.2251 10.8233 10.8233 11.0670 11.0670 11.3412 11.3412 k = 0.4130 0.4393 0.2686 ( 5110 PWs) bands (ev): -26.0637 -26.0637 -26.0636 -26.0636 -9.2436 -9.2436 -9.1658 -9.1658 -8.3155 -8.3155 -8.1951 -8.1951 -7.9159 -7.9159 -7.8892 -7.8892 0.3538 0.3538 0.4235 0.4235 4.2389 4.2389 4.2633 4.2633 4.4416 4.4416 4.4696 4.4696 4.9130 4.9130 4.9262 4.9262 5.4922 5.4922 5.5696 5.5696 5.9087 5.9087 5.9539 5.9539 6.0610 6.0610 6.1220 6.1220 7.0445 7.0445 7.0495 7.0495 7.9610 7.9610 8.0558 8.0558 9.1237 9.1237 9.2496 9.2496 10.7915 10.7915 11.0341 11.0341 11.3074 11.3074 k = 0.4058 0.4518 0.2686 ( 5114 PWs) bands (ev): -26.0637 -26.0637 -26.0635 -26.0635 -9.2463 -9.2463 -9.1638 -9.1638 -8.3209 -8.3209 -8.1932 -8.1932 -7.9176 -7.9176 -7.8891 -7.8891 0.3618 0.3618 0.4358 0.4358 4.2309 4.2309 4.2625 4.2625 4.4479 4.4479 4.4841 4.4841 4.9406 4.9406 4.9525 4.9525 5.4798 5.4798 5.5641 5.5641 5.9199 5.9199 5.9573 5.9573 6.0560 6.0560 6.1235 6.1235 6.9621 6.9621 6.9752 6.9752 7.9948 7.9948 8.0823 8.0823 9.1354 9.1354 9.2643 9.2643 10.7653 10.7653 11.0046 11.0046 11.2757 11.2757 k = 0.3986 0.4644 0.2686 ( 5114 PWs) bands (ev): -26.0636 -26.0636 -26.0634 -26.0634 -9.2489 -9.2489 -9.1620 -9.1620 -8.3260 -8.3260 -8.1915 -8.1915 -7.9192 -7.9192 -7.8891 -7.8891 0.3699 0.3699 0.4479 0.4479 4.2234 4.2234 4.2616 4.2616 4.4538 4.4538 4.4972 4.4972 4.9713 4.9713 4.9808 4.9808 5.4674 5.4674 5.5582 5.5582 5.9317 5.9317 5.9579 5.9579 6.0514 6.0514 6.1250 6.1250 6.8758 6.8758 6.9082 6.9082 8.0321 8.0321 8.1140 8.1140 9.1379 9.1379 9.2691 9.2691 10.7450 10.7450 10.9793 10.9793 11.2462 11.2462 k = 0.3913 0.4769 0.2686 ( 5122 PWs) bands (ev): -26.0635 -26.0635 -26.0633 -26.0633 -9.2513 -9.2513 -9.1605 -9.1605 -8.3308 -8.3308 -8.1901 -8.1901 -7.9207 -7.9207 -7.8892 -7.8892 0.3778 0.3778 0.4594 0.4594 4.2164 4.2164 4.2607 4.2607 4.4591 4.4591 4.5090 4.5090 5.0047 5.0047 5.0105 5.0105 5.4550 5.4550 5.5516 5.5516 5.9442 5.9442 5.9549 5.9549 6.0477 6.0477 6.1267 6.1267 6.7917 6.7917 6.8449 6.8449 8.0718 8.0718 8.1498 8.1498 9.1318 9.1318 9.2646 9.2646 10.7304 10.7304 10.9584 10.9584 11.2193 11.2193 k = 0.3841 0.4895 0.2686 ( 5120 PWs) bands (ev): -26.0634 -26.0634 -26.0632 -26.0632 -9.2535 -9.2535 -9.1591 -9.1591 -8.3351 -8.3351 -8.1890 -8.1890 -7.9220 -7.9220 -7.8892 -7.8892 0.3855 0.3855 0.4703 0.4703 4.2101 4.2101 4.2599 4.2599 4.4638 4.4638 4.5194 4.5194 5.0406 5.0406 5.0413 5.0413 5.4426 5.4426 5.5440 5.5440 5.9482 5.9482 5.9573 5.9573 6.0452 6.0452 6.1287 6.1287 6.7108 6.7108 6.7868 6.7868 8.1129 8.1129 8.1886 8.1886 9.1179 9.1179 9.2521 9.2521 10.7209 10.7209 10.9416 10.9416 11.1951 11.1951 k = 0.3768 0.5020 0.2686 ( 5128 PWs) bands (ev): -26.0634 -26.0634 -26.0632 -26.0632 -9.2554 -9.2554 -9.1580 -9.1580 -8.3390 -8.3390 -8.1881 -8.1881 -7.9232 -7.9232 -7.8892 -7.8892 0.3927 0.3927 0.4804 0.4804 4.2044 4.2044 4.2590 4.2590 4.4679 4.4679 4.5282 4.5282 5.0724 5.0724 5.0782 5.0782 5.4299 5.4299 5.5351 5.5351 5.9381 5.9381 5.9711 5.9711 6.0439 6.0439 6.1312 6.1312 6.6342 6.6342 6.7350 6.7350 8.1542 8.1542 8.2293 8.2293 9.0975 9.0975 9.2330 9.2330 10.7157 10.7157 10.9285 10.9285 11.1738 11.1738 k = 0.3696 0.5146 0.2686 ( 5124 PWs) bands (ev): -26.0633 -26.0633 -26.0631 -26.0631 -9.2571 -9.2571 -9.1571 -9.1571 -8.3423 -8.3423 -8.1874 -8.1874 -7.9242 -7.9242 -7.8893 -7.8893 0.3993 0.3993 0.4894 0.4894 4.1995 4.1995 4.2583 4.2583 4.4714 4.4714 4.5356 4.5356 5.1030 5.1030 5.1167 5.1167 5.4172 5.4172 5.5245 5.5245 5.9254 5.9254 5.9852 5.9852 6.0435 6.0435 6.1348 6.1348 6.5628 6.5628 6.6905 6.6905 8.1944 8.1944 8.2704 8.2704 9.0724 9.0724 9.2094 9.2094 10.7137 10.7137 10.9187 10.9187 11.1557 11.1557 k = 0.3623 0.5271 0.2686 ( 5128 PWs) bands (ev): -26.0633 -26.0633 -26.0631 -26.0631 -9.2585 -9.2585 -9.1564 -9.1564 -8.3451 -8.3451 -8.1869 -8.1869 -7.9250 -7.9250 -7.8893 -7.8893 0.4050 0.4050 0.4971 0.4971 4.1954 4.1954 4.2577 4.2577 4.4743 4.4743 4.5415 4.5415 5.1321 5.1321 5.1548 5.1548 5.4045 5.4045 5.5121 5.5121 5.9117 5.9117 5.9991 5.9991 6.0437 6.0437 6.1399 6.1399 6.4978 6.4978 6.6539 6.6539 8.2321 8.2321 8.3103 8.3103 9.0446 9.0446 9.1839 9.1839 10.7138 10.7138 10.9114 10.9114 11.1407 11.1407 k = 0.3551 0.5397 0.2686 ( 5130 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2597 -9.2597 -9.1559 -9.1559 -8.3473 -8.3473 -8.1865 -8.1865 -7.9256 -7.9256 -7.8894 -7.8894 0.4097 0.4097 0.5034 0.5034 4.1922 4.1922 4.2573 4.2573 4.4766 4.4766 4.5461 4.5461 5.1581 5.1581 5.1906 5.1906 5.3923 5.3923 5.4982 5.4982 5.8986 5.8986 6.0117 6.0117 6.0440 6.0440 6.1470 6.1470 6.4409 6.4409 6.6256 6.6256 8.2653 8.2653 8.3468 8.3468 9.0170 9.0170 9.1591 9.1591 10.7149 10.7149 10.9062 10.9062 11.1291 11.1291 k = 0.3478 0.5522 0.2686 ( 5130 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2605 -9.2605 -9.1555 -9.1555 -8.3489 -8.3489 -8.1864 -8.1864 -7.9261 -7.9261 -7.8894 -7.8894 0.4133 0.4133 0.5081 0.5081 4.1899 4.1899 4.2569 4.2569 4.4782 4.4782 4.5493 4.5493 5.1794 5.1794 5.2215 5.2215 5.3816 5.3816 5.4842 5.4842 5.8878 5.8878 6.0218 6.0218 6.0443 6.0443 6.1561 6.1561 6.3945 6.3945 6.6054 6.6054 8.2917 8.2917 8.3769 8.3769 8.9927 8.9927 9.1380 9.1380 10.7163 10.7163 10.9026 10.9026 11.1209 11.1209 k = 0.3406 0.5648 0.2686 ( 5136 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2610 -9.2610 -9.1553 -9.1553 -8.3499 -8.3499 -8.1863 -8.1863 -7.9263 -7.9263 -7.8894 -7.8894 0.4156 0.4156 0.5110 0.5110 4.1885 4.1885 4.2568 4.2568 4.4792 4.4792 4.5512 4.5512 5.1937 5.1937 5.2434 5.2434 5.3739 5.3739 5.4728 5.4728 5.8807 5.8807 6.0282 6.0282 6.0445 6.0445 6.1650 6.1650 6.3624 6.3624 6.5935 6.5935 8.3089 8.3089 8.3973 8.3973 8.9758 8.9758 9.1236 9.1236 10.7173 10.7173 10.9004 10.9004 11.1160 11.1160 k = 0.3333 0.5774 0.2686 ( 5136 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8894 -7.8894 0.4164 0.4164 0.5120 0.5120 4.1880 4.1880 4.2567 4.2567 4.4795 4.4795 4.5519 4.5519 5.1988 5.1988 5.2515 5.2515 5.3711 5.3711 5.4683 5.4683 5.8782 5.8782 6.0303 6.0303 6.0446 6.0446 6.1691 6.1691 6.3506 6.3506 6.5896 6.5896 8.3150 8.3150 8.4046 8.4046 8.9695 8.9695 9.1184 9.1184 10.7176 10.7176 10.8997 10.8997 11.1143 11.1144 k = 0.3333 0.5774 0.2686 ( 5136 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8894 -7.8894 0.4164 0.4164 0.5120 0.5120 4.1880 4.1880 4.2567 4.2567 4.4795 4.4795 4.5519 4.5519 5.1988 5.1988 5.2515 5.2515 5.3711 5.3711 5.4683 5.4683 5.8782 5.8782 6.0303 6.0303 6.0446 6.0446 6.1691 6.1691 6.3506 6.3506 6.5896 6.5896 8.3150 8.3150 8.4046 8.4046 8.9695 8.9695 9.1184 9.1184 10.7176 10.7176 10.8997 10.8997 11.1143 11.1143 k = 0.3259 0.5645 0.2686 ( 5136 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2610 -9.2610 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9263 -7.9263 -7.8894 -7.8894 0.4155 0.4155 0.5109 0.5109 4.1885 4.1885 4.2567 4.2567 4.4792 4.4792 4.5512 4.5512 5.1936 5.1936 5.2430 5.2430 5.3740 5.3740 5.4731 5.4731 5.8808 5.8808 6.0282 6.0282 6.0445 6.0445 6.1646 6.1646 6.3630 6.3630 6.5936 6.5936 8.3084 8.3084 8.3967 8.3967 8.9763 8.9763 9.1241 9.1241 10.7173 10.7173 10.9005 10.9005 11.1160 11.1160 k = 0.3185 0.5517 0.2686 ( 5140 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2604 -9.2604 -9.1554 -9.1554 -8.3488 -8.3488 -8.1863 -8.1863 -7.9261 -7.9261 -7.8894 -7.8894 0.4128 0.4128 0.5075 0.5075 4.1899 4.1899 4.2568 4.2568 4.4781 4.4781 4.5491 4.5491 5.1795 5.1795 5.2202 5.2202 5.3815 5.3815 5.4852 5.4852 5.8880 5.8880 6.0225 6.0225 6.0446 6.0446 6.1542 6.1542 6.3964 6.3964 6.6057 6.6057 8.2892 8.2892 8.3739 8.3739 8.9957 8.9957 9.1408 9.1408 10.7164 10.7164 10.9034 10.9034 11.1211 11.1211 k = 0.3111 0.5389 0.2686 ( 5136 PWs) bands (ev): -26.0632 -26.0632 -26.0630 -26.0630 -9.2595 -9.2595 -9.1556 -9.1556 -8.3471 -8.3471 -8.1862 -8.1862 -7.9256 -7.9256 -7.8894 -7.8894 0.4081 0.4081 0.5017 0.5017 4.1923 4.1923 4.2569 4.2569 4.4763 4.4763 4.5455 4.5455 5.1590 5.1590 5.1882 5.1882 5.3917 5.3917 5.5005 5.5005 5.8989 5.8989 6.0140 6.0140 6.0449 6.0449 6.1424 6.1424 6.4445 6.4445 6.6256 6.6256 8.2585 8.2585 8.3389 8.3389 9.0249 9.0249 9.1670 9.1670 10.7152 10.7152 10.9086 10.9086 11.1298 11.1298 k = 0.3037 0.5260 0.2686 ( 5122 PWs) bands (ev): -26.0633 -26.0633 -26.0631 -26.0631 -9.2581 -9.2581 -9.1559 -9.1559 -8.3446 -8.3446 -8.1862 -8.1862 -7.9251 -7.9251 -7.8893 -7.8893 0.4014 0.4014 0.4935 0.4935 4.1955 4.1955 4.2569 4.2569 4.4736 4.4736 4.5404 4.5404 5.1348 5.1348 5.1515 5.1515 5.4029 5.4029 5.5158 5.5158 5.9118 5.9118 6.0038 6.0038 6.0460 6.0460 6.1318 6.1318 6.5027 6.5027 6.6532 6.6532 8.2187 8.2187 8.2950 8.2950 9.0603 9.0603 9.2003 9.2003 10.7142 10.7142 10.9167 10.9167 11.1425 11.1425 k = 0.2963 0.5132 0.2686 ( 5118 PWs) bands (ev): -26.0634 -26.0634 -26.0632 -26.0632 -9.2564 -9.2564 -9.1561 -9.1561 -8.3415 -8.3415 -8.1860 -8.1860 -7.9244 -7.9244 -7.8893 -7.8893 0.3925 0.3925 0.4826 0.4826 4.1996 4.1996 4.2567 4.2567 4.4702 4.4702 4.5336 4.5336 5.1088 5.1088 5.1131 5.1131 5.4143 5.4143 5.5295 5.5295 5.9249 5.9249 5.9930 5.9930 6.0481 6.0481 6.1229 6.1229 6.5684 6.5684 6.6882 6.6882 8.1721 8.1721 8.2454 8.2454 9.0986 9.0986 9.2382 9.2382 10.7137 10.7137 10.9279 10.9279 11.1596 11.1596 k = 0.2889 0.5004 0.2686 ( 5122 PWs) bands (ev): -26.0635 -26.0635 -26.0633 -26.0633 -9.2542 -9.2542 -9.1563 -9.1563 -8.3377 -8.3377 -8.1856 -8.1856 -7.9235 -7.9235 -7.8892 -7.8892 0.3813 0.3813 0.4692 0.4692 4.2044 4.2044 4.2562 4.2562 4.4659 4.4659 4.5250 4.5250 5.0752 5.0752 5.0824 5.0824 5.4254 5.4254 5.5413 5.5413 5.9365 5.9365 5.9820 5.9820 6.0519 6.0519 6.1154 6.1154 6.6395 6.6395 6.7298 6.7298 8.1206 8.1206 8.1926 8.1926 9.1370 9.1370 9.2781 9.2781 10.7141 10.7141 10.9421 10.9421 11.1819 11.1819 k = 0.2815 0.4875 0.2686 ( 5114 PWs) bands (ev): -26.0636 -26.0636 -26.0634 -26.0634 -9.2517 -9.2517 -9.1564 -9.1564 -8.3332 -8.3332 -8.1852 -8.1852 -7.9226 -7.9226 -7.8891 -7.8891 0.3679 0.3679 0.4531 0.4531 4.2097 4.2097 4.2554 4.2554 4.4607 4.4607 4.5146 4.5146 5.0390 5.0390 5.0568 5.0568 5.4363 5.4363 5.5511 5.5511 5.9452 5.9452 5.9714 5.9714 6.0575 6.0575 6.1090 6.1090 6.7148 6.7148 6.7773 6.7773 8.0662 8.0662 8.1385 8.1385 9.1735 9.1735 9.3180 9.3180 10.7158 10.7158 10.9592 10.9592 11.2103 11.2103 k = 0.2741 0.4747 0.2686 ( 5110 PWs) bands (ev): -26.0637 -26.0637 -26.0635 -26.0635 -9.2487 -9.2487 -9.1564 -9.1564 -8.3280 -8.3280 -8.1845 -8.1845 -7.9215 -7.9215 -7.8890 -7.8890 0.3521 0.3521 0.4343 0.4343 4.2156 4.2156 4.2542 4.2542 4.4548 4.4548 4.5024 4.5024 5.0057 5.0057 5.0328 5.0328 5.4469 5.4469 5.5593 5.5593 5.9506 5.9506 5.9613 5.9613 6.0648 6.0648 6.1035 6.1035 6.7927 6.7927 6.8293 6.8293 8.0104 8.0104 8.0848 8.0848 9.2067 9.2067 9.3562 9.3562 10.7191 10.7191 10.9783 10.9783 11.2456 11.2456 k = 0.2667 0.4619 0.2686 ( 5098 PWs) bands (ev): -26.0639 -26.0639 -26.0637 -26.0637 -9.2454 -9.2454 -9.1563 -9.1563 -8.3223 -8.3223 -8.1836 -8.1836 -7.9204 -7.9204 -7.8889 -7.8889 0.3339 0.3339 0.4129 0.4129 4.2218 4.2218 4.2524 4.2524 4.4482 4.4482 4.4884 4.4884 4.9760 4.9760 5.0110 5.0110 5.4574 5.4574 5.5660 5.5660 5.9516 5.9516 5.9529 5.9529 6.0733 6.0733 6.0985 6.0985 6.8719 6.8719 6.8843 6.8843 7.9544 7.9544 8.0329 8.0329 9.2358 9.2358 9.3915 9.3915 10.7242 10.7242 10.9982 10.9982 11.2888 11.2888 k = 0.2593 0.4491 0.2686 ( 5094 PWs) bands (ev): -26.0641 -26.0641 -26.0639 -26.0639 -9.2416 -9.2416 -9.1560 -9.1560 -8.3159 -8.3159 -8.1825 -8.1825 -7.9192 -7.9192 -7.8888 -7.8888 0.3133 0.3133 0.3889 0.3889 4.2282 4.2282 4.2500 4.2500 4.4410 4.4410 4.4728 4.4728 4.9501 4.9501 4.9918 4.9918 5.4678 5.4678 5.5715 5.5715 5.9423 5.9423 5.9526 5.9526 6.0823 6.0823 6.0940 6.0940 6.9402 6.9402 6.9508 6.9508 7.8997 7.8997 7.9845 7.9845 9.2605 9.2605 9.4233 9.4233 10.7312 10.7312 11.0176 11.0176 11.3405 11.3605 k = 0.2519 0.4362 0.2686 ( 5098 PWs) bands (ev): -26.0643 -26.0643 -26.0641 -26.0641 -9.2375 -9.2375 -9.1555 -9.1555 -8.3090 -8.3090 -8.1811 -8.1811 -7.9180 -7.9180 -7.8887 -7.8887 0.2904 0.2904 0.3624 0.3624 4.2346 4.2346 4.2470 4.2470 4.4334 4.4334 4.4561 4.4561 4.9282 4.9282 4.9754 4.9754 5.4782 5.4782 5.5761 5.5761 5.9332 5.9332 5.9503 5.9503 6.0900 6.0900 6.0913 6.0913 6.9946 6.9946 7.0278 7.0278 7.8476 7.8476 7.9410 7.9410 9.2809 9.2809 9.4514 9.4514 10.7401 10.7401 11.0358 11.0358 11.4011 11.4011 k = 0.2444 0.4234 0.2686 ( 5092 PWs) bands (ev): -26.0645 -26.0645 -26.0643 -26.0643 -9.2329 -9.2329 -9.1549 -9.1549 -8.3015 -8.3015 -8.1794 -8.1794 -7.9167 -7.9167 -7.8886 -7.8886 0.2653 0.2653 0.3334 0.3334 4.2407 4.2407 4.2435 4.2435 4.4256 4.4256 4.4387 4.4387 4.9103 4.9103 4.9618 4.9618 5.4887 5.4887 5.5798 5.5798 5.9243 5.9243 5.9465 5.9465 6.0863 6.0863 6.1000 6.1000 7.0451 7.0451 7.1007 7.1007 7.7999 7.7999 7.9044 7.9044 9.2977 9.2977 9.4762 9.4762 10.7509 10.7509 11.0524 11.0524 11.4707 11.4707 k = 0.2370 0.4106 0.2686 ( 5092 PWs) bands (ev): -26.0647 -26.0647 -26.0646 -26.0646 -9.2281 -9.2281 -9.1541 -9.1541 -8.2936 -8.2936 -8.1775 -8.1775 -7.9153 -7.9153 -7.8885 -7.8885 0.2379 0.2379 0.3020 0.3020 4.2395 4.2395 4.2462 4.2462 4.4177 4.4177 4.4213 4.4213 4.8962 4.8962 4.9509 4.9509 5.4994 5.4994 5.5829 5.5829 5.9154 5.9154 5.9415 5.9415 6.0831 6.0831 6.1081 6.1081 7.0887 7.0887 7.1663 7.1663 7.7587 7.7587 7.8764 7.8764 9.3121 9.3121 9.4985 9.4985 10.7636 10.7636 11.0677 11.0677 11.5489 11.5489 k = 0.2296 0.3977 0.2686 ( 5092 PWs) bands (ev): -26.0650 -26.0650 -26.0649 -26.0649 -9.2229 -9.2229 -9.1530 -9.1530 -8.2852 -8.2852 -8.1752 -8.1752 -7.9139 -7.9139 -7.8884 -7.8884 0.2084 0.2084 0.2685 0.2685 4.2351 4.2351 4.2509 4.2509 4.4044 4.4044 4.4099 4.4099 4.8854 4.8854 4.9424 4.9424 5.5102 5.5102 5.5853 5.5853 5.9065 5.9065 5.9357 5.9357 6.0802 6.0802 6.1157 6.1157 7.1228 7.1228 7.2211 7.2211 7.7272 7.7272 7.8585 7.8585 9.3255 9.3255 9.5197 9.5197 10.7780 10.7780 11.0821 11.0821 11.6350 11.6350 k = 0.2222 0.3849 0.2686 ( 5086 PWs) bands (ev): -26.0653 -26.0653 -26.0652 -26.0652 -9.2174 -9.2174 -9.1517 -9.1517 -8.2763 -8.2763 -8.1726 -8.1726 -7.9125 -7.9125 -7.8883 -7.8883 0.1769 0.1769 0.2330 0.2330 4.2305 4.2305 4.2545 4.2545 4.3888 4.3888 4.4023 4.4023 4.8777 4.8777 4.9363 4.9363 5.5210 5.5210 5.5872 5.5872 5.8974 5.8974 5.9291 5.9291 6.0779 6.0779 6.1227 6.1227 7.1455 7.1455 7.2605 7.2605 7.7089 7.7089 7.8516 7.8516 9.3395 9.3395 9.5411 9.5411 10.7941 10.7941 11.0961 11.0961 11.7278 11.7278 k = 0.2148 0.3721 0.2686 ( 5098 PWs) bands (ev): -26.0656 -26.0656 -26.0655 -26.0655 -9.2116 -9.2116 -9.1502 -9.1502 -8.2670 -8.2670 -8.1697 -8.1697 -7.9111 -7.9111 -7.8882 -7.8882 0.1435 0.1435 0.1955 0.1955 4.2259 4.2259 4.2564 4.2564 4.3751 4.3751 4.3950 4.3950 4.8727 4.8727 4.9321 4.9321 5.5318 5.5318 5.5887 5.5887 5.8882 5.8882 5.9219 5.9219 6.0761 6.0761 6.1291 6.1291 7.1564 7.1564 7.2814 7.2814 7.7063 7.7063 7.8549 7.8549 9.3560 9.3560 9.5643 9.5643 10.8119 10.8119 11.1099 11.1099 11.8254 11.8254 k = 0.2074 0.3592 0.2686 ( 5102 PWs) bands (ev): -26.0659 -26.0659 -26.0658 -26.0658 -9.2056 -9.2056 -9.1484 -9.1484 -8.2574 -8.2574 -8.1665 -8.1665 -7.9097 -7.9097 -7.8881 -7.8881 0.1083 0.1083 0.1564 0.1564 4.2215 4.2215 4.2564 4.2564 4.3639 4.3639 4.3880 4.3880 4.8701 4.8701 4.9295 4.9295 5.5424 5.5424 5.5897 5.5897 5.8787 5.8787 5.9142 5.9142 6.0750 6.0750 6.1350 6.1350 7.1567 7.1567 7.2841 7.2841 7.7182 7.7182 7.8660 7.8660 9.3767 9.3767 9.5910 9.5910 10.8313 10.8313 11.1240 11.1240 11.9252 11.9252 k = 0.2000 0.3464 0.2686 ( 5096 PWs) bands (ev): -26.0662 -26.0662 -26.0661 -26.0661 -9.1994 -9.1994 -9.1464 -9.1464 -8.2474 -8.2474 -8.1629 -8.1629 -7.9082 -7.9082 -7.8880 -7.8880 0.0716 0.0716 0.1157 0.1157 4.2175 4.2175 4.2545 4.2545 4.3555 4.3555 4.3814 4.3814 4.8694 4.8694 4.9283 4.9283 5.5527 5.5527 5.5902 5.5902 5.8690 5.8690 5.9060 5.9060 6.0744 6.0744 6.1403 6.1403 7.1488 7.1488 7.2730 7.2730 7.7394 7.7394 7.8815 7.8815 9.4032 9.4032 9.6224 9.6224 10.8523 10.8523 11.1385 11.1385 12.0238 12.0238 k = 0.1926 0.3336 0.2686 ( 5088 PWs) bands (ev): -26.0666 -26.0666 -26.0665 -26.0665 -9.1930 -9.1930 -9.1442 -9.1442 -8.2372 -8.2372 -8.1591 -8.1591 -7.9068 -7.9068 -7.8879 -7.8879 0.0336 0.0336 0.0738 0.0738 4.2140 4.2140 4.2508 4.2508 4.3496 4.3496 4.3751 4.3751 4.8705 4.8705 4.9283 4.9283 5.5624 5.5624 5.5903 5.5903 5.8591 5.8591 5.8973 5.8973 6.0746 6.0746 6.1450 6.1450 7.1356 7.1356 7.2537 7.2537 7.7642 7.7642 7.8981 7.8981 9.4368 9.4368 9.6596 9.6596 10.8751 10.8751 11.1536 11.1536 12.1161 12.1161 k = 0.1852 0.3208 0.2686 ( 5096 PWs) bands (ev): -26.0670 -26.0670 -26.0669 -26.0669 -9.1864 -9.1864 -9.1418 -9.1418 -8.2268 -8.2268 -8.1549 -8.1549 -7.9054 -7.9054 -7.8878 -7.8878 -0.0057 -0.0057 0.0308 0.0308 4.2112 4.2112 4.2460 4.2460 4.3457 4.3457 4.3690 4.3690 4.8731 4.8731 4.9291 4.9291 5.5715 5.5715 5.5900 5.5900 5.8490 5.8490 5.8882 5.8882 6.0754 6.0754 6.1489 6.1489 7.1196 7.1196 7.2307 7.2307 7.7877 7.7877 7.9126 7.9126 9.4783 9.4783 9.7031 9.7031 10.8997 10.8997 11.1695 11.1695 12.1961 12.1961 k = 0.1778 0.3079 0.2686 ( 5092 PWs) bands (ev): -26.0673 -26.0673 -26.0672 -26.0672 -9.1798 -9.1798 -9.1392 -9.1392 -8.2162 -8.2162 -8.1504 -8.1504 -7.9040 -7.9040 -7.8877 -7.8877 -0.0459 -0.0459 -0.0130 -0.0130 4.2092 4.2092 4.2408 4.2408 4.3433 4.3433 4.3632 4.3632 4.8769 4.8769 4.9305 4.9305 5.5795 5.5795 5.5892 5.5892 5.8388 5.8388 5.8787 5.8787 6.0768 6.0768 6.1520 6.1520 7.1030 7.1030 7.2071 7.2071 7.8073 7.8073 7.9232 7.9232 9.5278 9.5278 9.7528 9.7528 10.9264 10.9264 11.1863 11.1863 12.2583 12.2583 k = 0.1704 0.2951 0.2686 ( 5092 PWs) bands (ev): -26.0677 -26.0677 -26.0676 -26.0676 -9.1731 -9.1731 -9.1364 -9.1364 -8.2054 -8.2054 -8.1456 -8.1456 -7.9026 -7.9026 -7.8876 -7.8876 -0.0868 -0.0868 -0.0573 -0.0573 4.2081 4.2081 4.2357 4.2357 4.3417 4.3417 4.3576 4.3576 4.8816 4.8816 4.9325 4.9325 5.5865 5.5865 5.5881 5.5881 5.8286 5.8286 5.8688 5.8688 6.0786 6.0786 6.1542 6.1542 7.0876 7.0876 7.1849 7.1849 7.8215 7.8215 7.9288 7.9288 9.5849 9.5849 9.8082 9.8082 10.9556 10.9556 11.2041 11.2041 12.3007 12.3007 k = 0.1630 0.2823 0.2686 ( 5096 PWs) bands (ev): -26.0681 -26.0681 -26.0680 -26.0680 -9.1664 -9.1664 -9.1334 -9.1334 -8.1945 -8.1945 -8.1406 -8.1406 -7.9012 -7.9012 -7.8875 -7.8875 -0.1283 -0.1283 -0.1021 -0.1021 4.2079 4.2079 4.2313 4.2313 4.3404 4.3404 4.3521 4.3521 4.8872 4.8872 4.9349 4.9349 5.5866 5.5866 5.5921 5.5921 5.8184 5.8184 5.8587 5.8587 6.0808 6.0808 6.1551 6.1551 7.0747 7.0747 7.1654 7.1654 7.8299 7.8299 7.9289 7.9289 9.6484 9.6484 9.8678 9.8678 10.9879 10.9879 11.2234 11.2234 12.3258 12.3258 k = 0.1556 0.2694 0.2686 ( 5102 PWs) bands (ev): -26.0685 -26.0685 -26.0684 -26.0684 -9.1597 -9.1597 -9.1303 -9.1303 -8.1837 -8.1837 -8.1353 -8.1353 -7.8998 -7.8998 -7.8874 -7.8874 -0.1701 -0.1701 -0.1469 -0.1469 4.2087 4.2087 4.2276 4.2276 4.3391 4.3391 4.3468 4.3468 4.8934 4.8934 4.9375 4.9375 5.5847 5.5847 5.5962 5.5962 5.8083 5.8083 5.8482 5.8482 6.0830 6.0830 6.1547 6.1547 7.0653 7.0653 7.1495 7.1495 7.8328 7.8328 7.9238 7.9238 9.7167 9.7167 9.9298 9.9298 11.0240 11.0240 11.2445 11.2445 12.3387 12.3387 k = 0.1481 0.2566 0.2686 ( 5094 PWs) bands (ev): -26.0689 -26.0689 -26.0688 -26.0688 -9.1530 -9.1530 -9.1271 -9.1271 -8.1728 -8.1728 -8.1297 -8.1297 -7.8985 -7.8985 -7.8872 -7.8872 -0.2119 -0.2119 -0.1916 -0.1916 4.2102 4.2102 4.2250 4.2250 4.3377 4.3377 4.3417 4.3417 4.9001 4.9001 4.9404 4.9404 5.5826 5.5826 5.5989 5.5989 5.7984 5.7984 5.8375 5.8375 6.0850 6.0850 6.1528 6.1528 7.0602 7.0602 7.1379 7.1379 7.8307 7.8307 7.9143 7.9143 9.7877 9.7877 9.9919 9.9919 11.0649 11.0649 11.2681 11.2681 12.3442 12.3442 k = 0.1407 0.2438 0.2686 ( 5102 PWs) bands (ev): -26.0692 -26.0692 -26.0692 -26.0692 -9.1465 -9.1465 -9.1237 -9.1237 -8.1620 -8.1620 -8.1240 -8.1240 -7.8971 -7.8971 -7.8871 -7.8871 -0.2535 -0.2535 -0.2359 -0.2359 4.2125 4.2125 4.2235 4.2235 4.3360 4.3360 4.3366 4.3366 4.9070 4.9070 4.9433 4.9433 5.5802 5.5802 5.6001 5.6001 5.7889 5.7889 5.8266 5.8266 6.0864 6.0864 6.1493 6.1493 7.0598 7.0598 7.1311 7.1311 7.8244 7.8244 7.9009 7.9009 9.8589 9.8589 10.0513 10.0513 11.1120 11.1120 11.2952 11.2952 12.3459 12.3459 k = 0.1333 0.2309 0.2686 ( 5102 PWs) bands (ev): -26.0696 -26.0696 -26.0696 -26.0696 -9.1401 -9.1401 -9.1204 -9.1204 -8.1514 -8.1514 -8.1182 -8.1182 -7.8958 -7.8958 -7.8869 -7.8869 -0.2948 -0.2948 -0.2796 -0.2796 4.2156 4.2156 4.2229 4.2229 4.3318 4.3318 4.3340 4.3340 4.9141 4.9141 4.9464 4.9464 5.5777 5.5777 5.6000 5.6000 5.7797 5.7797 5.8156 5.8156 6.0870 6.0870 6.1441 6.1441 7.0643 7.0643 7.1293 7.1293 7.8149 7.8149 7.8847 7.8847 9.9276 9.9276 10.1052 10.1052 11.1666 11.1666 11.3269 11.3269 12.3465 12.3465 k = 0.1259 0.2181 0.2686 ( 5098 PWs) bands (ev): -26.0700 -26.0700 -26.0700 -26.0700 -9.1339 -9.1339 -9.1169 -9.1169 -8.1409 -8.1409 -8.1122 -8.1122 -7.8946 -7.8946 -7.8867 -7.8867 -0.3354 -0.3354 -0.3225 -0.3225 4.2191 4.2191 4.2233 4.2233 4.3271 4.3271 4.3317 4.3317 4.9211 4.9211 4.9494 4.9494 5.5751 5.5751 5.5987 5.5987 5.7708 5.7708 5.8046 5.8046 6.0865 6.0865 6.1373 6.1373 7.0738 7.0738 7.1325 7.1325 7.8029 7.8029 7.8665 7.8665 9.9910 9.9910 10.1510 10.1510 11.2298 11.2298 11.3647 11.3647 12.3480 12.3480 k = 0.1185 0.2053 0.2686 ( 5082 PWs) bands (ev): -26.0704 -26.0704 -26.0704 -26.0704 -9.1279 -9.1279 -9.1135 -9.1135 -8.1307 -8.1307 -8.1061 -8.1061 -7.8933 -7.8933 -7.8865 -7.8865 -0.3751 -0.3751 -0.3643 -0.3643 4.2232 4.2232 4.2246 4.2246 4.3226 4.3226 4.3291 4.3291 4.9281 4.9281 4.9525 4.9525 5.5725 5.5725 5.5964 5.5964 5.7623 5.7623 5.7936 5.7936 6.0847 6.0847 6.1289 6.1289 7.0879 7.0879 7.1405 7.1405 7.7895 7.7895 7.8472 7.8472 10.0464 10.0464 10.1864 10.1864 11.3025 11.3025 11.4100 11.4100 12.3519 12.3519 k = 0.1111 0.1925 0.2686 ( 5078 PWs) bands (ev): -26.0708 -26.0708 -26.0707 -26.0707 -9.1221 -9.1221 -9.1101 -9.1101 -8.1208 -8.1208 -8.1000 -8.1000 -7.8921 -7.8921 -7.8862 -7.8862 -0.4138 -0.4138 -0.4047 -0.4047 4.2265 4.2265 4.2275 4.2275 4.3184 4.3184 4.3263 4.3263 4.9348 4.9348 4.9556 4.9556 5.5702 5.5702 5.5935 5.5935 5.7542 5.7542 5.7828 5.7828 6.0814 6.0814 6.1191 6.1191 7.1064 7.1064 7.1532 7.1532 7.7753 7.7753 7.8274 7.8274 10.0914 10.0914 10.2103 10.2103 11.3848 11.3848 11.4641 11.4641 12.3592 12.3592 k = 0.1037 0.1796 0.2686 ( 5090 PWs) bands (ev): -26.0711 -26.0711 -26.0711 -26.0711 -9.1166 -9.1166 -9.1067 -9.1067 -8.1113 -8.1113 -8.0940 -8.0940 -7.8909 -7.8909 -7.8860 -7.8860 -0.4511 -0.4511 -0.4437 -0.4437 4.2291 4.2291 4.2319 4.2319 4.3145 4.3145 4.3233 4.3233 4.9413 4.9413 4.9586 4.9586 5.5682 5.5682 5.5903 5.5903 5.7464 5.7464 5.7720 5.7720 6.0767 6.0767 6.1081 6.1081 7.1287 7.1287 7.1700 7.1700 7.7612 7.7612 7.8079 7.8079 10.1244 10.1244 10.2222 10.2222 11.4759 11.4759 11.5279 11.5279 12.3707 12.3707 k = 0.0963 0.1668 0.2686 ( 5074 PWs) bands (ev): -26.0715 -26.0715 -26.0714 -26.0714 -9.1115 -9.1115 -9.1034 -9.1034 -8.1022 -8.1022 -8.0880 -8.0880 -7.8898 -7.8898 -7.8857 -7.8857 -0.4869 -0.4869 -0.4809 -0.4809 4.2320 4.2320 4.2362 4.2362 4.3110 4.3110 4.3203 4.3203 4.9474 4.9474 4.9615 4.9615 5.5666 5.5666 5.5870 5.5870 5.7389 5.7389 5.7615 5.7615 6.0706 6.0706 6.0963 6.0963 7.1540 7.1540 7.1901 7.1901 7.7479 7.7479 7.7893 7.7893 10.1446 10.1446 10.2227 10.2227 11.5746 11.5746 11.6015 11.6015 12.3871 12.3871 k = 0.0889 0.1540 0.2686 ( 5078 PWs) bands (ev): -26.0718 -26.0718 -26.0718 -26.0718 -9.1066 -9.1066 -9.1002 -9.1002 -8.0935 -8.0935 -8.0822 -8.0822 -7.8887 -7.8887 -7.8853 -7.8853 -0.5210 -0.5210 -0.5162 -0.5162 4.2352 4.2352 4.2404 4.2404 4.3079 4.3079 4.3173 4.3173 4.9530 4.9530 4.9643 4.9643 5.5656 5.5656 5.5839 5.5839 5.7315 5.7315 5.7511 5.7511 6.0632 6.0632 6.0837 6.0837 7.1816 7.1816 7.2128 7.2128 7.7359 7.7359 7.7723 7.7723 10.1522 10.1522 10.2128 10.2128 11.6789 11.6789 11.6841 11.6841 12.4086 12.4086 k = 0.0815 0.1411 0.2686 ( 5076 PWs) bands (ev): -26.0721 -26.0721 -26.0721 -26.0721 -9.1021 -9.1021 -9.0971 -9.0971 -8.0854 -8.0854 -8.0765 -8.0765 -7.8877 -7.8877 -7.8850 -7.8850 -0.5531 -0.5531 -0.5494 -0.5494 4.2385 4.2385 4.2441 4.2441 4.3054 4.3054 4.3145 4.3145 4.9582 4.9582 4.9670 4.9670 5.5653 5.5653 5.5813 5.5813 5.7243 5.7243 5.7410 5.7410 6.0549 6.0549 6.0708 6.0708 7.2105 7.2105 7.2370 7.2370 7.7260 7.7260 7.7574 7.7574 10.1484 10.1484 10.1942 10.1942 11.7742 11.7742 11.7866 11.7866 12.4356 12.4356 k = 0.0741 0.1283 0.2686 ( 5078 PWs) bands (ev): -26.0724 -26.0724 -26.0724 -26.0724 -9.0980 -9.0980 -9.0941 -9.0941 -8.0779 -8.0779 -8.0711 -8.0711 -7.8867 -7.8867 -7.8846 -7.8846 -0.5831 -0.5831 -0.5803 -0.5803 4.2417 4.2417 4.2473 4.2473 4.3036 4.3036 4.3119 4.3119 4.9629 4.9629 4.9695 4.9695 5.5658 5.5658 5.5795 5.5795 5.7172 5.7172 5.7311 5.7311 6.0457 6.0457 6.0577 6.0577 7.2396 7.2396 7.2618 7.2618 7.7186 7.7186 7.7450 7.7450 10.1348 10.1348 10.1685 10.1685 11.8697 11.8697 11.8950 11.8950 12.4682 12.4682 k = 0.0667 0.1155 0.2686 ( 5078 PWs) bands (ev): -26.0726 -26.0726 -26.0726 -26.0726 -9.0942 -9.0942 -9.0914 -9.0914 -8.0710 -8.0710 -8.0660 -8.0660 -7.8858 -7.8858 -7.8842 -7.8842 -0.6108 -0.6108 -0.6088 -0.6088 4.2446 4.2446 4.2497 4.2497 4.3025 4.3025 4.3096 4.3096 4.9670 4.9670 4.9718 4.9718 5.5672 5.5672 5.5785 5.5785 5.7102 5.7102 5.7215 5.7215 6.0361 6.0361 6.0449 6.0449 7.2680 7.2680 7.2859 7.2859 7.7143 7.7143 7.7358 7.7358 10.1135 10.1135 10.1375 10.1375 11.9680 11.9680 12.0013 12.0013 12.5062 12.5062 k = 0.0593 0.1026 0.2686 ( 5080 PWs) bands (ev): -26.0729 -26.0729 -26.0729 -26.0729 -9.0908 -9.0908 -9.0888 -9.0888 -8.0648 -8.0648 -8.0612 -8.0612 -7.8849 -7.8849 -7.8838 -7.8838 -0.6361 -0.6361 -0.6347 -0.6347 4.2472 4.2472 4.2515 4.2515 4.3020 4.3020 4.3078 4.3078 4.9705 4.9705 4.9739 4.9739 5.5695 5.5695 5.5786 5.5786 5.7031 5.7031 5.7120 5.7120 6.0262 6.0262 6.0324 6.0324 7.2945 7.2945 7.3083 7.3083 7.7133 7.7133 7.7300 7.7300 10.0867 10.0867 10.1032 10.1032 12.0663 12.0663 12.1026 12.1026 12.5493 12.5493 k = 0.0519 0.0898 0.2686 ( 5084 PWs) bands (ev): -26.0731 -26.0731 -26.0731 -26.0731 -9.0878 -9.0878 -9.0865 -9.0865 -8.0593 -8.0593 -8.0568 -8.0568 -7.8841 -7.8841 -7.8834 -7.8834 -0.6588 -0.6588 -0.6578 -0.6578 4.2493 4.2493 4.2526 4.2526 4.3021 4.3021 4.3065 4.3065 4.9736 4.9736 4.9758 4.9758 5.5727 5.5727 5.5796 5.5796 5.6961 5.6961 5.7028 5.7028 6.0166 6.0166 6.0207 6.0207 7.3181 7.3181 7.3282 7.3282 7.7156 7.7156 7.7279 7.7279 10.0565 10.0565 10.0675 10.0675 12.1616 12.1616 12.1960 12.1960 12.5962 12.5962 k = 0.0444 0.0770 0.2686 ( 5080 PWs) bands (ev): -26.0733 -26.0733 -26.0733 -26.0733 -9.0853 -9.0853 -9.0844 -9.0844 -8.0545 -8.0545 -8.0529 -8.0529 -7.8835 -7.8835 -7.8829 -7.8829 -0.6787 -0.6787 -0.6781 -0.6781 4.2508 4.2508 4.2531 4.2531 4.3027 4.3027 4.3057 4.3057 4.9761 4.9761 4.9775 4.9775 5.5766 5.5766 5.5817 5.5817 5.6891 5.6891 5.6939 5.6939 6.0074 6.0074 6.0100 6.0100 7.3382 7.3382 7.3450 7.3450 7.7209 7.7209 7.7292 7.7292 10.0252 10.0252 10.0320 10.0320 12.2505 12.2505 12.2792 12.2792 12.6447 12.6447 k = 0.0370 0.0642 0.2686 ( 5098 PWs) bands (ev): -26.0735 -26.0735 -26.0735 -26.0735 -9.0831 -9.0831 -9.0826 -9.0826 -8.0504 -8.0504 -8.0495 -8.0495 -7.8829 -7.8829 -7.8826 -7.8826 -0.6958 -0.6958 -0.6955 -0.6955 4.2518 4.2518 4.2533 4.2533 4.3035 4.3035 4.3053 4.3053 4.9781 4.9781 4.9789 4.9789 5.5812 5.5812 5.5846 5.5846 5.6821 5.6821 5.6854 5.6854 5.9989 5.9989 6.0004 6.0004 7.3543 7.3543 7.3584 7.3584 7.7283 7.7283 7.7334 7.7334 9.9946 9.9946 9.9986 9.9986 12.3301 12.3301 12.3507 12.3507 12.6909 12.6909 k = 0.0296 0.0513 0.2686 ( 5098 PWs) bands (ev): -26.0736 -26.0736 -26.0736 -26.0736 -9.0814 -9.0814 -9.0811 -9.0811 -8.0471 -8.0471 -8.0466 -8.0466 -7.8824 -7.8824 -7.8822 -7.8822 -0.7100 -0.7100 -0.7098 -0.7098 4.2524 4.2524 4.2532 4.2532 4.3044 4.3044 4.3053 4.3053 4.9797 4.9797 4.9801 4.9801 5.5862 5.5862 5.5882 5.5882 5.6754 5.6754 5.6774 5.6774 5.9916 5.9916 5.9923 5.9923 7.3665 7.3665 7.3687 7.3687 7.7369 7.7369 7.7396 7.7396 9.9667 9.9667 9.9687 9.9687 12.3978 12.3978 12.4100 12.4100 12.7308 12.7311 k = 0.0222 0.0385 0.2686 ( 5102 PWs) bands (ev): -26.0737 -26.0737 -26.0737 -26.0737 -9.0800 -9.0800 -9.0799 -9.0799 -8.0445 -8.0445 -8.0443 -8.0443 -7.8820 -7.8820 -7.8819 -7.8819 -0.7210 -0.7210 -0.7210 -0.7210 4.2527 4.2527 4.2530 4.2530 4.3051 4.3051 4.3056 4.3056 4.9808 4.9808 4.9810 4.9810 5.5911 5.5911 5.5921 5.5921 5.6692 5.6692 5.6702 5.6702 5.9855 5.9855 5.9858 5.9858 7.3752 7.3752 7.3761 7.3761 7.7452 7.7452 7.7464 7.7464 9.9431 9.9431 9.9439 9.9439 12.4514 12.4514 12.4572 12.4572 12.7613 12.7618 k = 0.0148 0.0257 0.2686 ( 5098 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0790 -9.0790 -9.0790 -9.0790 -8.0427 -8.0427 -8.0427 -8.0427 -7.8817 -7.8817 -7.8817 -7.8817 -0.7290 -0.7290 -0.7290 -0.7290 4.2527 4.2527 4.2528 4.2528 4.3058 4.3058 4.3059 4.3059 4.9816 4.9816 4.9817 4.9817 5.5956 5.5956 5.5959 5.5959 5.6639 5.6639 5.6642 5.6642 5.9810 5.9810 5.9811 5.9811 7.3808 7.3808 7.3811 7.3811 7.7521 7.7521 7.7525 7.7525 9.9251 9.9251 9.9254 9.9254 12.4900 12.4900 12.4918 12.4918 12.7819 12.7825 k = 0.0074 0.0128 0.2686 ( 5090 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0785 -9.0785 -9.0785 -9.0785 -8.0416 -8.0416 -8.0416 -8.0416 -7.8816 -7.8816 -7.8816 -7.8816 -0.7338 -0.7338 -0.7338 -0.7338 4.2527 4.2527 4.2527 4.2527 4.3061 4.3061 4.3061 4.3061 4.9821 4.9821 4.9821 4.9821 5.5987 5.5987 5.5987 5.5987 5.6601 5.6601 5.6602 5.6602 5.9782 5.9782 5.9782 5.9782 7.3839 7.3839 7.3839 7.3839 7.7567 7.7567 7.7567 7.7567 9.9138 9.9138 9.9139 9.9139 12.5130 12.5130 12.5132 12.5132 12.7934 12.7935 k = 0.0000 0.0000 0.2686 ( 5086 PWs) bands (ev): -26.0738 -26.0738 -26.0738 -26.0738 -9.0783 -9.0783 -9.0783 -9.0783 -8.0413 -8.0413 -8.0413 -8.0413 -7.8815 -7.8815 -7.8815 -7.8815 -0.7354 -0.7354 -0.7354 -0.7354 4.2527 4.2527 4.2527 4.2527 4.3062 4.3062 4.3062 4.3062 4.9822 4.9822 4.9822 4.9822 5.5998 5.5998 5.5998 5.5998 5.6588 5.6588 5.6588 5.6588 5.9773 5.9773 5.9773 5.9773 7.3849 7.3849 7.3849 7.3849 7.7582 7.7582 7.7582 7.7582 9.9100 9.9100 9.9100 9.9100 12.5205 12.5205 12.5205 12.5205 12.7971 12.7971 k = 0.5000 0.2887 0.2686 ( 5116 PWs) bands (ev): -26.0643 -26.0643 -26.0643 -26.0643 -9.2023 -9.2023 -9.2023 -9.2023 -8.2425 -8.2425 -8.2425 -8.2425 -7.8955 -7.8955 -7.8955 -7.8955 0.3126 0.3126 0.3126 0.3126 4.2905 4.2905 4.2905 4.2905 4.3554 4.3554 4.3554 4.3554 4.7827 4.7827 4.7827 4.7827 5.6103 5.6103 5.6103 5.6103 5.8471 5.8471 5.8471 5.8471 6.1006 6.1006 6.1006 6.1006 7.5019 7.5019 7.5019 7.5019 8.3860 8.3860 8.3860 8.3860 8.5129 8.5129 8.5129 8.5129 11.2544 11.2544 11.2544 11.2544 11.6388 11.6388 k = 0.5000 0.2887 0.2545 ( 5128 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2024 -9.2024 -9.2021 -9.2021 -8.2426 -8.2426 -8.2423 -8.2423 -7.8959 -7.8959 -7.8952 -7.8952 0.3125 0.3125 0.3126 0.3126 4.2758 4.2758 4.2978 4.2978 4.3477 4.3477 4.3700 4.3700 4.7553 4.7553 4.8126 4.8126 5.6067 5.6067 5.6156 5.6156 5.8382 5.8382 5.8564 5.8564 6.0996 6.0996 6.1017 6.1017 7.4495 7.4495 7.5419 7.5419 8.3309 8.3309 8.4364 8.4364 8.4671 8.4671 8.5774 8.5774 11.1863 11.1863 11.3191 11.3191 11.6174 11.6174 k = 0.5000 0.2887 0.2404 ( 5132 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2025 -9.2025 -9.2020 -9.2020 -8.2428 -8.2428 -8.2421 -8.2421 -7.8962 -7.8962 -7.8948 -7.8948 0.3124 0.3124 0.3126 0.3126 4.2561 4.2561 4.2990 4.2990 4.3454 4.3454 4.3898 4.3898 4.7304 4.7304 4.8448 4.8448 5.6049 5.6049 5.6227 5.6227 5.8297 5.8297 5.8661 5.8661 6.0988 6.0988 6.1031 6.1031 7.3893 7.3893 7.5634 7.5634 8.2883 8.2883 8.4081 8.4081 8.5046 8.5046 8.6547 8.6547 11.1162 11.1162 11.3783 11.3783 11.5963 11.5963 k = 0.5000 0.2887 0.2262 ( 5132 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2027 -9.2027 -9.2018 -9.2018 -8.2429 -8.2429 -8.2419 -8.2419 -7.8966 -7.8966 -7.8945 -7.8945 0.3121 0.3121 0.3124 0.3124 4.2341 4.2341 4.2965 4.2965 4.3459 4.3459 4.4122 4.4122 4.7080 4.7080 4.8791 4.8791 5.6051 5.6051 5.6315 5.6315 5.8217 5.8217 5.8761 5.8761 6.0982 6.0982 6.1045 6.1045 7.3243 7.3243 7.5604 7.5604 8.2675 8.2675 8.3677 8.3677 8.5553 8.5553 8.7420 8.7420 11.0451 11.0451 11.4279 11.4279 11.5740 11.5740 k = 0.5000 0.2887 0.2121 ( 5124 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2028 -9.2028 -9.2017 -9.2017 -8.2431 -8.2431 -8.2418 -8.2418 -7.8970 -7.8970 -7.8942 -7.8942 0.3119 0.3119 0.3123 0.3123 4.2114 4.2114 4.2922 4.2922 4.3474 4.3474 4.4355 4.4355 4.6882 4.6882 4.9154 4.9154 5.6071 5.6071 5.6422 5.6422 5.8143 5.8143 5.8865 5.8865 6.0978 6.0978 6.1061 6.1061 7.2564 7.2564 7.5305 7.5305 8.2723 8.2723 8.3308 8.3308 8.6042 8.6042 8.8352 8.8352 10.9737 10.9737 11.4562 11.4562 11.5526 11.5526 k = 0.5000 0.2887 0.1979 ( 5116 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2029 -9.2029 -9.2016 -9.2016 -8.2432 -8.2432 -8.2416 -8.2416 -7.8973 -7.8973 -7.8939 -7.8939 0.3115 0.3115 0.3120 0.3120 4.1888 4.1888 4.2869 4.2869 4.3492 4.3492 4.4585 4.4585 4.6710 4.6710 4.9532 4.9532 5.6113 5.6113 5.6545 5.6545 5.8076 5.8076 5.8972 5.8972 6.0976 6.0976 6.1079 6.1079 7.1867 7.1867 7.4770 7.4770 8.2864 8.2864 8.3110 8.3110 8.6521 8.6521 8.9312 8.9312 10.9026 10.9026 11.4262 11.4262 11.5519 11.5519 k = 0.5000 0.2887 0.1838 ( 5106 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2030 -9.2030 -9.2014 -9.2014 -8.2434 -8.2434 -8.2414 -8.2414 -7.8976 -7.8976 -7.8936 -7.8936 0.3111 0.3111 0.3117 0.3117 4.1667 4.1667 4.2810 4.2810 4.3510 4.3510 4.4807 4.4807 4.6564 4.6564 4.9921 4.9921 5.6177 5.6177 5.6686 5.6686 5.8016 5.8016 5.9083 5.9083 6.0977 6.0977 6.1097 6.1097 7.1162 7.1162 7.4062 7.4062 8.2589 8.2589 8.3533 8.3533 8.6998 8.6998 9.0279 9.0279 10.8322 10.8322 11.3348 11.3348 11.5672 11.5672 k = 0.5000 0.2887 0.1697 ( 5110 PWs) bands (ev): -26.0643 -26.0643 -26.0642 -26.0642 -9.2031 -9.2031 -9.2013 -9.2013 -8.2435 -8.2435 -8.2413 -8.2413 -7.8980 -7.8980 -7.8933 -7.8933 0.3107 0.3107 0.3114 0.3114 4.1457 4.1457 4.2749 4.2749 4.3526 4.3526 4.5015 4.5015 4.6446 4.6446 5.0315 5.0315 5.6266 5.6266 5.6843 5.6843 5.7965 5.7965 5.9198 5.9198 6.0980 6.0980 6.1117 6.1117 7.0453 7.0453 7.3242 7.3242 8.2288 8.2288 8.4129 8.4129 8.7477 8.7477 9.1238 9.1238 10.7628 10.7628 11.2167 11.2167 11.5698 11.5698 k = 0.5000 0.2887 0.1555 ( 5110 PWs) bands (ev): -26.0644 -26.0644 -26.0642 -26.0642 -9.2033 -9.2033 -9.2012 -9.2012 -8.2436 -8.2436 -8.2411 -8.2411 -7.8983 -7.8983 -7.8930 -7.8930 0.3103 0.3103 0.3110 0.3110 4.1257 4.1257 4.2688 4.2688 4.3539 4.3539 4.5200 4.5200 4.6358 4.6358 5.0708 5.0708 5.6380 5.6380 5.7017 5.7017 5.7926 5.7926 5.9320 5.9320 6.0986 6.0986 6.1138 6.1138 6.9744 6.9744 7.2355 7.2355 8.2004 8.2004 8.4808 8.4808 8.7963 8.7963 9.2176 9.2176 10.6947 10.6947 11.0895 11.0895 11.5574 11.5574 k = 0.5000 0.2887 0.1414 ( 5102 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2034 -9.2034 -9.2011 -9.2011 -8.2437 -8.2437 -8.2410 -8.2410 -7.8986 -7.8986 -7.8928 -7.8928 0.3098 0.3098 0.3106 0.3106 4.1071 4.1071 4.2628 4.2628 4.3550 4.3550 4.5354 4.5354 4.6305 4.6305 5.1092 5.1092 5.6521 5.6521 5.7205 5.7205 5.7902 5.7902 5.9450 5.9450 6.0995 6.0995 6.1161 6.1161 6.9041 6.9041 7.1430 7.1430 8.1742 8.1742 8.5534 8.5534 8.8462 8.8462 9.3082 9.3082 10.6280 10.6280 10.9600 10.9600 11.5444 11.5444 k = 0.5000 0.2887 0.1272 ( 5112 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2034 -9.2034 -9.2010 -9.2010 -8.2438 -8.2438 -8.2408 -8.2408 -7.8989 -7.8989 -7.8926 -7.8926 0.3093 0.3093 0.3102 0.3102 4.0899 4.0899 4.2570 4.2570 4.3558 4.3558 4.5467 4.5467 4.6295 4.6295 5.1457 5.1457 5.6681 5.6681 5.7410 5.7410 5.7900 5.7900 5.9590 5.9590 6.1006 6.1006 6.1188 6.1188 6.8344 6.8344 7.0487 7.0487 8.1501 8.1501 8.6277 8.6277 8.8983 8.8983 9.3945 9.3945 10.5623 10.5623 10.8317 10.8317 11.5329 11.5329 k = 0.5000 0.2887 0.1131 ( 5116 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2035 -9.2035 -9.2009 -9.2009 -8.2439 -8.2439 -8.2407 -8.2407 -7.8991 -7.8991 -7.8924 -7.8924 0.3089 0.3089 0.3098 0.3098 4.0743 4.0743 4.2516 4.2516 4.3565 4.3565 4.5534 4.5534 4.6328 4.6328 5.1795 5.1795 5.6848 5.6848 5.7637 5.7637 5.7928 5.7928 5.9744 5.9744 6.1021 6.1021 6.1220 6.1220 6.7656 6.7656 6.9540 6.9540 8.1283 8.1283 8.7010 8.7010 8.9541 8.9541 9.4755 9.4755 10.4965 10.4965 10.7074 10.7074 11.5228 11.5228 k = 0.5000 0.2887 0.0990 ( 5122 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2036 -9.2036 -9.2008 -9.2008 -8.2440 -8.2440 -8.2406 -8.2406 -7.8994 -7.8994 -7.8922 -7.8922 0.3084 0.3084 0.3094 0.3094 4.0603 4.0603 4.2467 4.2467 4.3569 4.3569 4.5563 4.5563 4.6394 4.6394 5.2099 5.2099 5.6997 5.6997 5.7889 5.7889 5.8006 5.8006 5.9913 5.9913 6.1040 6.1040 6.1261 6.1261 6.6981 6.6981 6.8600 6.8600 8.1089 8.1089 8.7700 8.7700 9.0155 9.0155 9.5502 9.5502 10.4270 10.4270 10.5923 10.5923 11.5141 11.5141 k = 0.5000 0.2887 0.0848 ( 5118 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2037 -9.2037 -9.2007 -9.2007 -8.2440 -8.2440 -8.2405 -8.2405 -7.8996 -7.8996 -7.8921 -7.8921 0.3080 0.3080 0.3090 0.3090 4.0480 4.0480 4.2422 4.2422 4.3572 4.3572 4.5567 4.5567 4.6477 4.6477 5.2362 5.2362 5.7107 5.7107 5.8050 5.8050 5.8264 5.8264 6.0095 6.0095 6.1061 6.1061 6.1320 6.1320 6.6318 6.6318 6.7676 6.7676 8.0919 8.0919 8.8316 8.8316 9.0847 9.0847 9.6176 9.6176 10.3463 10.3463 10.4949 10.4949 11.5066 11.5066 k = 0.5000 0.2887 0.0707 ( 5102 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2037 -9.2037 -9.2006 -9.2006 -8.2441 -8.2441 -8.2404 -8.2404 -7.8998 -7.8998 -7.8919 -7.8919 0.3077 0.3077 0.3087 0.3087 4.0376 4.0376 4.2384 4.2384 4.3573 4.3573 4.5560 4.5560 4.6562 4.6562 5.2581 5.2581 5.7174 5.7174 5.8158 5.8158 5.8656 5.8656 6.0282 6.0282 6.1084 6.1084 6.1413 6.1413 6.5672 6.5672 6.6778 6.6778 8.0774 8.0774 8.8836 8.8836 9.1627 9.1627 9.6763 9.6763 10.2492 10.2492 10.4221 10.4221 11.5002 11.5002 k = 0.5000 0.2887 0.0566 ( 5098 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2006 -9.2006 -8.2441 -8.2441 -8.2403 -8.2403 -7.8999 -7.8999 -7.8918 -7.8918 0.3074 0.3074 0.3084 0.3084 4.0290 4.0290 4.2352 4.2352 4.3574 4.3574 4.5548 4.5548 4.6639 4.6639 5.2757 5.2757 5.7211 5.7211 5.8257 5.8257 5.9110 5.9110 6.0463 6.0463 6.1105 6.1105 6.1561 6.1561 6.5043 6.5043 6.5917 6.5917 8.0654 8.0654 8.9254 8.9254 9.2490 9.2490 9.7247 9.7247 10.1419 10.1419 10.3696 10.3696 11.4950 11.4950 k = 0.5000 0.2887 0.0424 ( 5094 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2006 -9.2006 -8.2442 -8.2442 -8.2403 -8.2403 -7.9000 -7.9000 -7.8918 -7.8918 0.3071 0.3071 0.3082 0.3082 4.0222 4.0222 4.2326 4.2326 4.3574 4.3574 4.5537 4.5537 4.6702 4.6702 5.2889 5.2889 5.7229 5.7229 5.8339 5.8339 5.9589 5.9589 6.0629 6.0629 6.1123 6.1123 6.1785 6.1785 6.4436 6.4436 6.5110 6.5110 8.0561 8.0561 8.9574 8.9574 9.3422 9.3422 9.7595 9.7595 10.0344 10.0344 10.3310 10.3310 11.4910 11.4910 k = 0.5000 0.2887 0.0283 ( 5104 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2005 -9.2005 -8.2442 -8.2442 -8.2402 -8.2402 -7.9001 -7.9001 -7.8917 -7.8917 0.3069 0.3069 0.3080 0.3080 4.0174 4.0174 4.2308 4.2308 4.3574 4.3574 4.5528 4.5528 4.6750 4.6750 5.2982 5.2982 5.7238 5.7238 5.8400 5.8400 6.0022 6.0022 6.0809 6.0809 6.1137 6.1137 6.2083 6.2083 6.3868 6.3868 6.4381 6.4381 8.0493 8.0493 8.9800 8.9800 9.4402 9.4402 9.7708 9.7708 9.9402 9.9402 10.3037 10.3037 11.4881 11.4881 k = 0.5000 0.2887 0.0141 ( 5100 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2005 -9.2005 -8.2442 -8.2442 -8.2402 -8.2402 -7.9002 -7.9002 -7.8917 -7.8917 0.3068 0.3068 0.3079 0.3079 4.0145 4.0145 4.2297 4.2297 4.3574 4.3574 4.5522 4.5522 4.6779 4.6779 5.3036 5.3036 5.7242 5.7242 5.8436 5.8436 6.0292 6.0292 6.1039 6.1039 6.1156 6.1156 6.2409 6.2409 6.3417 6.3417 6.3767 6.3767 8.0453 8.0453 8.9936 8.9936 9.5406 9.5406 9.7315 9.7315 9.8885 9.8885 10.2872 10.2872 11.4863 11.4863 k = 0.5000 0.2887-0.0000 ( 5102 PWs) bands (ev): -26.0644 -26.0644 -26.0641 -26.0641 -9.2038 -9.2038 -9.2005 -9.2005 -8.2442 -8.2442 -8.2402 -8.2402 -7.9002 -7.9002 -7.8916 -7.8916 0.3068 0.3068 0.3079 0.3079 4.0135 4.0135 4.2293 4.2293 4.3574 4.3574 4.5520 4.5520 4.6788 4.6788 5.3054 5.3054 5.7243 5.7243 5.8449 5.8449 6.0369 6.0369 6.1122 6.1122 6.1223 6.1223 6.2582 6.2582 6.3345 6.3345 6.3365 6.3365 8.0440 8.0440 8.9981 8.9981 9.6244 9.6244 9.6607 9.6607 9.8787 9.8787 10.2817 10.2817 11.4858 11.4858 k = 0.3333 0.5774-0.0000 ( 5121 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4110 0.4110 0.5067 0.5067 4.2253 4.2253 4.2904 4.2904 4.3378 4.3378 4.5218 4.5218 4.9102 4.9102 5.2213 5.2213 5.6415 5.6415 5.7641 5.7641 5.8389 5.8389 6.0437 6.0437 6.0676 6.0676 6.2411 6.2411 7.3110 7.3110 7.3206 7.3206 7.3661 7.3661 7.4150 7.4150 7.4180 7.4180 10.3916 10.3916 10.8658 10.8658 11.0391 11.0391 11.0620 11.0620 k = 0.3333 0.5774 0.0141 ( 5115 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4111 0.4111 0.5068 0.5068 4.2249 4.2249 4.2902 4.2902 4.3388 4.3388 4.5220 4.5220 4.9113 4.9113 5.2211 5.2211 5.6403 5.6403 5.7652 5.7652 5.8390 5.8390 6.0434 6.0434 6.0683 6.0683 6.2340 6.2340 7.2776 7.2776 7.2815 7.2815 7.3748 7.3748 7.4538 7.4538 7.4543 7.4543 10.3884 10.3884 10.8645 10.8645 11.0386 11.0386 11.0626 11.0626 k = 0.3333 0.5774 0.0283 ( 5106 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4112 0.4112 0.5069 0.5069 4.2237 4.2237 4.2894 4.2894 4.3417 4.3417 4.5227 4.5227 4.9146 4.9146 5.2206 5.2206 5.6367 5.6367 5.7686 5.7686 5.8394 5.8394 6.0426 6.0426 6.0704 6.0704 6.2136 6.2136 7.2163 7.2163 7.2187 7.2187 7.4022 7.4022 7.5179 7.5179 7.5203 7.5203 10.3787 10.3787 10.8606 10.8606 11.0373 11.0373 11.0645 11.0645 k = 0.3333 0.5774 0.0424 ( 5112 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4114 0.4114 0.5070 0.5070 4.2219 4.2219 4.2882 4.2882 4.3465 4.3465 4.5238 4.5238 4.9201 4.9201 5.2198 5.2198 5.6310 5.6310 5.7742 5.7742 5.8400 5.8400 6.0414 6.0414 6.0735 6.0735 6.1819 6.1819 7.1477 7.1477 7.1569 7.1569 7.4462 7.4462 7.5879 7.5879 7.5899 7.5899 10.3620 10.3620 10.8542 10.8542 11.0349 11.0349 11.0678 11.0678 k = 0.3333 0.5774 0.0566 ( 5109 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4116 0.4116 0.5073 0.5073 4.2195 4.2195 4.2865 4.2865 4.3528 4.3528 4.5253 4.5253 4.9278 4.9278 5.2187 5.2187 5.6232 5.6232 5.7820 5.7820 5.8405 5.8405 6.0402 6.0402 6.0767 6.0767 6.1422 6.1422 7.0791 7.0791 7.0961 7.0961 7.5040 7.5040 7.6599 7.6599 7.6600 7.6600 10.3377 10.3377 10.8456 10.8456 11.0313 11.0313 11.0723 11.0723 k = 0.3333 0.5774 0.0707 ( 5121 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3499 -8.3499 -8.1862 -8.1862 -7.9265 -7.9265 -7.8898 -7.8898 0.4119 0.4119 0.5076 0.5076 4.2168 4.2168 4.2845 4.2845 4.3605 4.3605 4.5271 4.5271 4.9376 4.9376 5.2173 5.2173 5.6136 5.6136 5.7919 5.7919 5.8405 5.8405 6.0389 6.0389 6.0742 6.0742 6.1028 6.1028 7.0112 7.0112 7.0373 7.0373 7.5732 7.5732 7.7294 7.7294 7.7326 7.7326 10.3050 10.3050 10.8354 10.8354 11.0263 11.0263 11.0780 11.0780 k = 0.3333 0.5774 0.0848 ( 5109 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3500 -8.3500 -8.1862 -8.1862 -7.9265 -7.9265 -7.8897 -7.8897 0.4122 0.4122 0.5079 0.5079 4.2138 4.2138 4.2822 4.2822 4.3694 4.3694 4.5292 4.5292 4.9497 4.9497 5.2158 5.2158 5.6024 5.6024 5.8039 5.8039 5.8394 5.8394 6.0357 6.0357 6.0394 6.0394 6.0948 6.0948 6.9445 6.9445 6.9811 6.9811 7.6516 7.6516 7.7974 7.7974 7.8053 7.8053 10.2631 10.2631 10.8239 10.8239 11.0197 11.0197 11.0850 11.0850 k = 0.3333 0.5774 0.0990 ( 5109 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3500 -8.3500 -8.1862 -8.1862 -7.9265 -7.9265 -7.8897 -7.8897 0.4126 0.4126 0.5083 0.5083 4.2107 4.2107 4.2796 4.2796 4.3793 4.3793 4.5315 4.5315 4.9638 4.9638 5.2140 5.2140 5.5900 5.5900 5.8179 5.8179 5.8358 5.8358 5.9880 5.9880 6.0368 6.0368 6.0996 6.0996 6.8794 6.8794 6.9279 6.9279 7.7373 7.7373 7.8634 7.8634 7.8772 7.8772 10.2116 10.2116 10.8118 10.8118 11.0114 11.0114 11.0932 11.0932 k = 0.3333 0.5774 0.1131 ( 5097 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3500 -8.3500 -8.1862 -8.1862 -7.9265 -7.9265 -7.8897 -7.8897 0.4131 0.4131 0.5087 0.5087 4.2077 4.2077 4.2769 4.2769 4.3899 4.3899 4.5339 4.5339 4.9801 4.9801 5.2122 5.2122 5.5767 5.5767 5.8261 5.8261 5.8338 5.8338 5.9418 5.9418 6.0357 6.0357 6.1061 6.1061 6.8160 6.8160 6.8778 6.8778 7.8288 7.8288 7.9270 7.9270 7.9479 7.9479 10.1503 10.1503 10.7995 10.7995 11.0013 11.0013 11.1024 11.1024 k = 0.3333 0.5774 0.1272 ( 5091 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3500 -8.3500 -8.1862 -8.1862 -7.9265 -7.9265 -7.8896 -7.8896 0.4135 0.4135 0.5091 0.5091 4.2047 4.2047 4.2741 4.2741 4.4010 4.4010 4.5364 4.5364 4.9985 4.9985 5.2104 5.2104 5.5628 5.5628 5.8033 5.8033 5.8516 5.8516 5.9077 5.9077 6.0348 6.0348 6.1132 6.1132 6.7546 6.7546 6.8312 6.8312 7.9249 7.9249 7.9876 7.9876 8.0167 8.0167 10.0794 10.0794 10.7876 10.7876 10.9896 10.9896 11.1127 11.1127 k = 0.3333 0.5774 0.1414 ( 5112 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3501 -8.3501 -8.1862 -8.1862 -7.9265 -7.9265 -7.8896 -7.8896 0.4139 0.4139 0.5096 0.5096 4.2018 4.2018 4.2714 4.2714 4.4124 4.4124 4.5389 4.5389 5.0190 5.0190 5.2085 5.2085 5.5485 5.5485 5.7641 5.7641 5.8712 5.8712 5.8900 5.8900 6.0340 6.0340 6.1207 6.1207 6.6954 6.6954 6.7880 6.7880 8.0239 8.0239 8.0446 8.0446 8.0840 8.0840 9.9997 9.9997 10.7763 10.7763 10.9768 10.9768 11.1238 11.1238 k = 0.3333 0.5774 0.1555 ( 5118 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3501 -8.3501 -8.1862 -8.1862 -7.9265 -7.9265 -7.8896 -7.8896 0.4144 0.4144 0.5100 0.5100 4.1991 4.1991 4.2687 4.2687 4.4238 4.4238 4.5413 4.5413 5.0415 5.0415 5.2067 5.2067 5.5343 5.5343 5.7152 5.7152 5.8826 5.8826 5.8922 5.8922 6.0332 6.0332 6.1284 6.1284 6.6386 6.6386 6.7486 6.7486 8.0976 8.0976 8.1193 8.1193 8.1545 8.1545 9.9121 9.9121 10.7656 10.7656 10.9635 10.9635 11.1354 11.1354 k = 0.3333 0.5774 0.1697 ( 5124 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2611 -9.2611 -9.1553 -9.1553 -8.3501 -8.3501 -8.1862 -8.1862 -7.9264 -7.9264 -7.8895 -7.8895 0.4148 0.4148 0.5104 0.5104 4.1966 4.1966 4.2661 4.2661 4.4349 4.4349 4.5435 4.5435 5.0660 5.0660 5.2050 5.2050 5.5205 5.5205 5.6631 5.6631 5.8795 5.8795 5.9146 5.9146 6.0325 6.0325 6.1360 6.1360 6.5846 6.5846 6.7130 6.7130 8.1458 8.1458 8.1911 8.1911 8.2470 8.2470 9.8178 9.8178 10.7558 10.7558 10.9503 10.9503 11.1379 11.1379 k = 0.3333 0.5774 0.1838 ( 5124 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8895 -7.8895 0.4152 0.4152 0.5108 0.5108 4.1944 4.1944 4.2638 4.2638 4.4454 4.4454 4.5456 4.5456 5.0925 5.0925 5.2035 5.2035 5.5073 5.5073 5.6109 5.6109 5.8783 5.8783 5.9380 5.9380 6.0320 6.0320 6.1434 6.1434 6.5337 6.5337 6.6815 6.6815 8.1890 8.1890 8.2460 8.2460 8.3534 8.3534 9.7179 9.7179 10.7468 10.7468 10.9379 10.9379 11.1307 11.1307 k = 0.3333 0.5774 0.1979 ( 5112 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8895 -7.8895 0.4155 0.4155 0.5111 0.5111 4.1925 4.1925 4.2617 4.2617 4.4550 4.4550 4.5474 4.5474 5.1209 5.1209 5.2021 5.2021 5.4949 5.4949 5.5601 5.5601 5.8779 5.8779 5.9620 5.9620 6.0315 6.0315 6.1503 6.1503 6.4865 6.4865 6.6542 6.6542 8.2264 8.2264 8.2927 8.2927 8.4635 8.4635 9.6136 9.6136 10.7387 10.7387 10.9267 10.9267 11.1252 11.1252 k = 0.3333 0.5774 0.2121 ( 5124 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8895 -7.8895 0.4158 0.4158 0.5114 0.5114 4.1909 4.1909 4.2600 4.2600 4.4633 4.4633 4.5490 4.5490 5.1508 5.1508 5.2010 5.2010 5.4823 5.4823 5.5131 5.5131 5.8778 5.8778 5.9856 5.9856 6.0311 6.0311 6.1565 6.1565 6.4437 6.4437 6.6315 6.6315 8.2577 8.2577 8.3319 8.3319 8.5755 8.5755 9.5061 9.5061 10.7316 10.7316 10.9172 10.9172 11.1210 11.1210 k = 0.3333 0.5774 0.2262 ( 5112 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8895 -7.8895 0.4161 0.4161 0.5117 0.5117 4.1897 4.1897 4.2586 4.2586 4.4702 4.4702 4.5502 4.5502 5.1818 5.1818 5.2000 5.2000 5.4571 5.4571 5.4835 5.4835 5.8779 5.8779 6.0078 6.0078 6.0307 6.0307 6.1618 6.1618 6.4066 6.4066 6.6134 6.6134 8.2825 8.2825 8.3632 8.3632 8.6882 8.6882 9.3964 9.3964 10.7258 10.7258 10.9096 10.9096 11.1180 11.1180 k = 0.3333 0.5774 0.2404 ( 5139 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8894 -7.8894 0.4162 0.4162 0.5119 0.5119 4.1887 4.1887 4.2575 4.2575 4.4753 4.4753 4.5511 4.5511 5.1993 5.1993 5.2126 5.2126 5.4182 5.4182 5.4742 5.4742 5.8781 5.8781 6.0267 6.0267 6.0305 6.0305 6.1658 6.1658 6.3770 6.3770 6.6002 6.6002 8.3005 8.3005 8.3860 8.3860 8.8000 8.8000 9.2866 9.2866 10.7213 10.7213 10.9041 10.9041 11.1159 11.1159 k = 0.3333 0.5774 0.2545 ( 5142 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8894 -7.8894 0.4163 0.4163 0.5120 0.5120 4.1882 4.1882 4.2569 4.2569 4.4785 4.4785 4.5517 4.5517 5.1989 5.1989 5.2393 5.2393 5.3854 5.3854 5.4697 5.4697 5.8782 5.8782 6.0304 6.0304 6.0398 6.0398 6.1682 6.1682 6.3575 6.3575 6.5923 6.5923 8.3113 8.3113 8.3999 8.3999 8.9059 8.9059 9.1817 9.1817 10.7186 10.7186 10.9008 10.9008 11.1147 11.1147 k = 0.3333 0.5774 0.2686 ( 5136 PWs) bands (ev): -26.0632 -26.0632 -26.0629 -26.0629 -9.2612 -9.2612 -9.1553 -9.1553 -8.3502 -8.3502 -8.1862 -8.1862 -7.9264 -7.9264 -7.8894 -7.8894 0.4164 0.4164 0.5120 0.5120 4.1880 4.1880 4.2567 4.2567 4.4795 4.4795 4.5519 4.5519 5.1988 5.1988 5.2515 5.2515 5.3711 5.3711 5.4683 5.4683 5.8782 5.8782 6.0303 6.0303 6.0446 6.0446 6.1691 6.1691 6.3506 6.3506 6.5896 6.5896 8.3150 8.3150 8.4046 8.4046 8.9695 8.9695 9.1184 9.1184 10.7176 10.7176 10.8997 10.8997 11.1143 11.1143 Writing output data file SrSbAu.save init_run : 0.54s CPU 0.77s WALL ( 1 calls) electrons : 292.82s CPU 297.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 292.82s CPU 297.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.16s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.08s WALL ( 280 calls) cegterg : 276.87s CPU 280.48s WALL ( 775 calls) Called by sum_band: Called by *egterg: h_psi : 131.80s CPU 134.08s WALL ( 13854 calls) s_psi : 13.17s CPU 13.43s WALL ( 13854 calls) g_psi : 0.44s CPU 0.44s WALL ( 12799 calls) cdiaghg : 108.68s CPU 110.05s WALL ( 13079 calls) cegterg:over : 12.85s CPU 12.79s WALL ( 12799 calls) cegterg:upda : 12.42s CPU 12.35s WALL ( 12799 calls) cegterg:last : 5.15s CPU 5.16s WALL ( 1615 calls) cdiaghg:chol : 5.96s CPU 6.25s WALL ( 13079 calls) cdiaghg:inve : 4.39s CPU 4.30s WALL ( 13079 calls) cdiaghg:para : 6.90s CPU 6.77s WALL ( 26158 calls) Called by h_psi: h_psi:vloc : 102.12s CPU 104.52s WALL ( 13854 calls) h_psi:vnl : 29.20s CPU 29.08s WALL ( 13854 calls) add_vuspsi : 15.79s CPU 15.81s WALL ( 13854 calls) General routines calbec : 13.38s CPU 13.23s WALL ( 13854 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.18s CPU 94.24s WALL ( 1193168 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.24s WALL ( 560 calls) Parallel routines fft_scatter : 34.72s CPU 35.59s WALL ( 1193191 calls) PWSCF : 5m12.24s CPU 5m25.90s WALL This run was terminated on: 13:42:10 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=