Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:29:29 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: ./BaSbAu.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized 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 65 25 7 5017 1232 191 Max 66 26 8 5028 1274 204 Sum 2347 931 265 180757 45127 6975 bravais-lattice index = 14 lattice parameter (alat) = 8.9688 a.u. unit-cell volume = 1225.2761 (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)= 8.968829 celldm(2)= 1.000000 celldm(3)= 1.961084 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 1.961084 ) 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 0.509922 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 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 Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 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 ) ( -0.9805419 ) 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 ) ( 0.9805419 ) 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 ) ( -0.9805419 ) 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 ) ( -0.9805419 ) 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 ) ( 0.9805419 ) 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 ) ( 0.9805419 ) 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 ) ( 0.9805419 ) 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 ) ( -0.9805419 ) 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 ) ( 0.9805419 ) 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 ) ( 0.9805419 ) 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 ) ( -0.9805419 ) 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 ) ( -0.9805419 ) 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= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0036496 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0036496 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0036496 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0036496 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0036496 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0036496 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0036496 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0036496 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0036496 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0036496 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0036496 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0036496 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0036496 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0036496 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0036496 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0036496 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0036496 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0036496 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0036496 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0036496 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0036496 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0036496 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0036496 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0036496 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0036496 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0036496 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0036496 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0036496 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0036496 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0036496 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0036496 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0036496 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0036496 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0036496 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0036496 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0036496 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0036496 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0036496 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0036496 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0036496 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0036496 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0036496 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0036496 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0036496 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0036496 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0036496 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0036496 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0036496 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0036496 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0036496 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0036496 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0036496 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0036496 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0036496 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0036496 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0036496 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0036496 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0036496 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0036496 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0036496 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0036496 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0036496 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0036496 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0036496 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0036496 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0036496 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0036496 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0036496 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0036496 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0036496 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0036496 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0036496 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0036496 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0036496 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0036496 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0036496 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0036496 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0036496 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0036496 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0036496 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0036496 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0036496 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0036496 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0036496 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0036496 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0036496 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0036496 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0036496 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0036496 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0036496 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0036496 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0036496 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0036496 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0036496 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0036496 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0036496 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0000000 0.0000000 0.0149977), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.0299954), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.0449931), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.0599908), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.0749885), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.0899863), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.1049840), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.1199817), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.1349794), wk = 0.0036496 k( 121) = ( 0.0000000 0.0000000 0.1499771), wk = 0.0036496 k( 122) = ( 0.0000000 0.0000000 0.1649748), wk = 0.0036496 k( 123) = ( 0.0000000 0.0000000 0.1799725), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.1949702), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.2099679), wk = 0.0036496 k( 126) = ( 0.0000000 0.0000000 0.2249656), wk = 0.0036496 k( 127) = ( 0.0000000 0.0000000 0.2399633), wk = 0.0036496 k( 128) = ( 0.0000000 0.0000000 0.2549611), wk = 0.0036496 k( 129) = ( 0.0000000 0.0000000 0.2549611), wk = 0.0036496 k( 130) = ( 0.0128205 0.0074019 0.2549611), wk = 0.0036496 k( 131) = ( 0.0256410 0.0148039 0.2549611), wk = 0.0036496 k( 132) = ( 0.0384615 0.0222058 0.2549611), wk = 0.0036496 k( 133) = ( 0.0512821 0.0296077 0.2549611), wk = 0.0036496 k( 134) = ( 0.0641026 0.0370096 0.2549611), wk = 0.0036496 k( 135) = ( 0.0769231 0.0444116 0.2549611), wk = 0.0036496 k( 136) = ( 0.0897436 0.0518135 0.2549611), wk = 0.0036496 k( 137) = ( 0.1025641 0.0592154 0.2549611), wk = 0.0036496 k( 138) = ( 0.1153846 0.0666173 0.2549611), wk = 0.0036496 k( 139) = ( 0.1282051 0.0740193 0.2549611), wk = 0.0036496 k( 140) = ( 0.1410256 0.0814212 0.2549611), wk = 0.0036496 k( 141) = ( 0.1538461 0.0888231 0.2549611), wk = 0.0036496 k( 142) = ( 0.1666667 0.0962250 0.2549611), wk = 0.0036496 k( 143) = ( 0.1794872 0.1036270 0.2549611), wk = 0.0036496 k( 144) = ( 0.1923077 0.1110289 0.2549611), wk = 0.0036496 k( 145) = ( 0.2051282 0.1184308 0.2549611), wk = 0.0036496 k( 146) = ( 0.2179487 0.1258328 0.2549611), wk = 0.0036496 k( 147) = ( 0.2307692 0.1332347 0.2549611), wk = 0.0036496 k( 148) = ( 0.2435897 0.1406366 0.2549611), wk = 0.0036496 k( 149) = ( 0.2564103 0.1480385 0.2549611), wk = 0.0036496 k( 150) = ( 0.2692308 0.1554405 0.2549611), wk = 0.0036496 k( 151) = ( 0.2820513 0.1628424 0.2549611), wk = 0.0036496 k( 152) = ( 0.2948718 0.1702443 0.2549611), wk = 0.0036496 k( 153) = ( 0.3076923 0.1776462 0.2549611), wk = 0.0036496 k( 154) = ( 0.3205128 0.1850482 0.2549611), wk = 0.0036496 k( 155) = ( 0.3333333 0.1924501 0.2549611), wk = 0.0036496 k( 156) = ( 0.3461538 0.1998520 0.2549611), wk = 0.0036496 k( 157) = ( 0.3589744 0.2072539 0.2549611), wk = 0.0036496 k( 158) = ( 0.3717949 0.2146559 0.2549611), wk = 0.0036496 k( 159) = ( 0.3846154 0.2220578 0.2549611), wk = 0.0036496 k( 160) = ( 0.3974359 0.2294597 0.2549611), wk = 0.0036496 k( 161) = ( 0.4102564 0.2368616 0.2549611), wk = 0.0036496 k( 162) = ( 0.4230769 0.2442636 0.2549611), wk = 0.0036496 k( 163) = ( 0.4358974 0.2516655 0.2549611), wk = 0.0036496 k( 164) = ( 0.4487179 0.2590674 0.2549611), wk = 0.0036496 k( 165) = ( 0.4615385 0.2664694 0.2549611), wk = 0.0036496 k( 166) = ( 0.4743590 0.2738713 0.2549611), wk = 0.0036496 k( 167) = ( 0.4871795 0.2812732 0.2549611), wk = 0.0036496 k( 168) = ( 0.5000000 0.2886751 0.2549611), wk = 0.0036496 k( 169) = ( 0.5000000 0.2886751 0.2549611), wk = 0.0036496 k( 170) = ( 0.4927536 0.3012262 0.2549611), wk = 0.0036496 k( 171) = ( 0.4855073 0.3137773 0.2549611), wk = 0.0036496 k( 172) = ( 0.4782609 0.3263284 0.2549611), wk = 0.0036496 k( 173) = ( 0.4710145 0.3388795 0.2549611), wk = 0.0036496 k( 174) = ( 0.4637681 0.3514306 0.2549611), wk = 0.0036496 k( 175) = ( 0.4565217 0.3639817 0.2549611), wk = 0.0036496 k( 176) = ( 0.4492754 0.3765328 0.2549611), wk = 0.0036496 k( 177) = ( 0.4420290 0.3890839 0.2549611), wk = 0.0036496 k( 178) = ( 0.4347826 0.4016350 0.2549611), wk = 0.0036496 k( 179) = ( 0.4275362 0.4141861 0.2549611), wk = 0.0036496 k( 180) = ( 0.4202899 0.4267372 0.2549611), wk = 0.0036496 k( 181) = ( 0.4130435 0.4392882 0.2549611), wk = 0.0036496 k( 182) = ( 0.4057971 0.4518393 0.2549611), wk = 0.0036496 k( 183) = ( 0.3985507 0.4643904 0.2549611), wk = 0.0036496 k( 184) = ( 0.3913044 0.4769415 0.2549611), wk = 0.0036496 k( 185) = ( 0.3840580 0.4894926 0.2549611), wk = 0.0036496 k( 186) = ( 0.3768116 0.5020437 0.2549611), wk = 0.0036496 k( 187) = ( 0.3695652 0.5145948 0.2549611), wk = 0.0036496 k( 188) = ( 0.3623188 0.5271459 0.2549611), wk = 0.0036496 k( 189) = ( 0.3550725 0.5396970 0.2549611), wk = 0.0036496 k( 190) = ( 0.3478261 0.5522481 0.2549611), wk = 0.0036496 k( 191) = ( 0.3405797 0.5647992 0.2549611), wk = 0.0036496 k( 192) = ( 0.3333333 0.5773503 0.2549611), wk = 0.0036496 k( 193) = ( 0.3333333 0.5773503 0.2549611), wk = 0.0036496 k( 194) = ( 0.3259259 0.5645203 0.2549611), wk = 0.0036496 k( 195) = ( 0.3185185 0.5516903 0.2549611), wk = 0.0036496 k( 196) = ( 0.3111111 0.5388602 0.2549611), wk = 0.0036496 k( 197) = ( 0.3037037 0.5260302 0.2549611), wk = 0.0036496 k( 198) = ( 0.2962963 0.5132002 0.2549611), wk = 0.0036496 k( 199) = ( 0.2888889 0.5003702 0.2549611), wk = 0.0036496 k( 200) = ( 0.2814815 0.4875402 0.2549611), wk = 0.0036496 k( 201) = ( 0.2740741 0.4747102 0.2549611), wk = 0.0036496 k( 202) = ( 0.2666667 0.4618802 0.2549611), wk = 0.0036496 k( 203) = ( 0.2592593 0.4490502 0.2549611), wk = 0.0036496 k( 204) = ( 0.2518518 0.4362202 0.2549611), wk = 0.0036496 k( 205) = ( 0.2444444 0.4233902 0.2549611), wk = 0.0036496 k( 206) = ( 0.2370370 0.4105602 0.2549611), wk = 0.0036496 k( 207) = ( 0.2296296 0.3977302 0.2549611), wk = 0.0036496 k( 208) = ( 0.2222222 0.3849002 0.2549611), wk = 0.0036496 k( 209) = ( 0.2148148 0.3720702 0.2549611), wk = 0.0036496 k( 210) = ( 0.2074074 0.3592402 0.2549611), wk = 0.0036496 k( 211) = ( 0.2000000 0.3464102 0.2549611), wk = 0.0036496 k( 212) = ( 0.1925926 0.3335802 0.2549611), wk = 0.0036496 k( 213) = ( 0.1851852 0.3207502 0.2549611), wk = 0.0036496 k( 214) = ( 0.1777778 0.3079201 0.2549611), wk = 0.0036496 k( 215) = ( 0.1703704 0.2950901 0.2549611), wk = 0.0036496 k( 216) = ( 0.1629630 0.2822601 0.2549611), wk = 0.0036496 k( 217) = ( 0.1555556 0.2694301 0.2549611), wk = 0.0036496 k( 218) = ( 0.1481482 0.2566001 0.2549611), wk = 0.0036496 k( 219) = ( 0.1407407 0.2437701 0.2549611), wk = 0.0036496 k( 220) = ( 0.1333333 0.2309401 0.2549611), wk = 0.0036496 k( 221) = ( 0.1259259 0.2181101 0.2549611), wk = 0.0036496 k( 222) = ( 0.1185185 0.2052801 0.2549611), wk = 0.0036496 k( 223) = ( 0.1111111 0.1924501 0.2549611), wk = 0.0036496 k( 224) = ( 0.1037037 0.1796201 0.2549611), wk = 0.0036496 k( 225) = ( 0.0962963 0.1667901 0.2549611), wk = 0.0036496 k( 226) = ( 0.0888889 0.1539601 0.2549611), wk = 0.0036496 k( 227) = ( 0.0814815 0.1411301 0.2549611), wk = 0.0036496 k( 228) = ( 0.0740741 0.1283001 0.2549611), wk = 0.0036496 k( 229) = ( 0.0666667 0.1154701 0.2549611), wk = 0.0036496 k( 230) = ( 0.0592593 0.1026400 0.2549611), wk = 0.0036496 k( 231) = ( 0.0518518 0.0898100 0.2549611), wk = 0.0036496 k( 232) = ( 0.0444444 0.0769800 0.2549611), wk = 0.0036496 k( 233) = ( 0.0370370 0.0641500 0.2549611), wk = 0.0036496 k( 234) = ( 0.0296296 0.0513200 0.2549611), wk = 0.0036496 k( 235) = ( 0.0222222 0.0384900 0.2549611), wk = 0.0036496 k( 236) = ( 0.0148148 0.0256600 0.2549611), wk = 0.0036496 k( 237) = ( 0.0074074 0.0128300 0.2549611), wk = 0.0036496 k( 238) = ( 0.0000000 0.0000000 0.2549611), wk = 0.0036496 k( 239) = ( 0.5000000 0.2886751 0.2549611), wk = 0.0036496 k( 240) = ( 0.5000000 0.2886751 0.2399633), wk = 0.0036496 k( 241) = ( 0.5000000 0.2886751 0.2249656), wk = 0.0036496 k( 242) = ( 0.5000000 0.2886751 0.2099679), wk = 0.0036496 k( 243) = ( 0.5000000 0.2886751 0.1949702), wk = 0.0036496 k( 244) = ( 0.5000000 0.2886751 0.1799725), wk = 0.0036496 k( 245) = ( 0.5000000 0.2886751 0.1649748), wk = 0.0036496 k( 246) = ( 0.5000000 0.2886751 0.1499771), wk = 0.0036496 k( 247) = ( 0.5000000 0.2886751 0.1349794), wk = 0.0036496 k( 248) = ( 0.5000000 0.2886751 0.1199817), wk = 0.0036496 k( 249) = ( 0.5000000 0.2886751 0.1049840), wk = 0.0036496 k( 250) = ( 0.5000000 0.2886751 0.0899863), wk = 0.0036496 k( 251) = ( 0.5000000 0.2886751 0.0749885), wk = 0.0036496 k( 252) = ( 0.5000000 0.2886751 0.0599908), wk = 0.0036496 k( 253) = ( 0.5000000 0.2886751 0.0449931), wk = 0.0036496 k( 254) = ( 0.5000000 0.2886751 0.0299954), wk = 0.0036496 k( 255) = ( 0.5000000 0.2886751 0.0149977), wk = 0.0036496 k( 256) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 257) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 258) = ( 0.3333333 0.5773503 0.0149977), wk = 0.0036496 k( 259) = ( 0.3333333 0.5773503 0.0299954), wk = 0.0036496 k( 260) = ( 0.3333333 0.5773503 0.0449931), wk = 0.0036496 k( 261) = ( 0.3333333 0.5773503 0.0599908), wk = 0.0036496 k( 262) = ( 0.3333333 0.5773503 0.0749885), wk = 0.0036496 k( 263) = ( 0.3333333 0.5773503 0.0899863), wk = 0.0036496 k( 264) = ( 0.3333333 0.5773503 0.1049840), wk = 0.0036496 k( 265) = ( 0.3333333 0.5773503 0.1199817), wk = 0.0036496 k( 266) = ( 0.3333333 0.5773503 0.1349794), wk = 0.0036496 k( 267) = ( 0.3333333 0.5773503 0.1499771), wk = 0.0036496 k( 268) = ( 0.3333333 0.5773503 0.1649748), wk = 0.0036496 k( 269) = ( 0.3333333 0.5773503 0.1799725), wk = 0.0036496 k( 270) = ( 0.3333333 0.5773503 0.1949702), wk = 0.0036496 k( 271) = ( 0.3333333 0.5773503 0.2099679), wk = 0.0036496 k( 272) = ( 0.3333333 0.5773503 0.2249656), wk = 0.0036496 k( 273) = ( 0.3333333 0.5773503 0.2399633), wk = 0.0036496 k( 274) = ( 0.3333333 0.5773503 0.2549611), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0036496 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0036496 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0036496 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0036496 k( 8) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0036496 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0036496 k( 12) = ( 0.1410256 0.0000000 -0.0000000), wk = 0.0036496 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0036496 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0036496 k( 15) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0036496 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0036496 k( 17) = ( 0.2051282 0.0000000 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0036496 k( 19) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0036496 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0036496 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0036496 k( 22) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0036496 k( 23) = ( 0.2820513 0.0000000 -0.0000000), wk = 0.0036496 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0036496 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0036496 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0036496 k( 27) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0036496 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0036496 k( 29) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0036496 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0036496 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0036496 k( 32) = ( 0.3974359 0.0000000 -0.0000000), wk = 0.0036496 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0036496 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0036496 k( 35) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0036496 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0036496 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0036496 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0036496 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036496 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036496 k( 42) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0036496 k( 43) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0036496 k( 44) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0036496 k( 45) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0036496 k( 46) = ( 0.4637681 0.0724638 -0.0000000), wk = 0.0036496 k( 47) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0036496 k( 48) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0036496 k( 49) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0036496 k( 50) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0036496 k( 51) = ( 0.4275362 0.1449275 -0.0000000), wk = 0.0036496 k( 52) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0036496 k( 53) = ( 0.4130435 0.1739130 -0.0000000), wk = 0.0036496 k( 54) = ( 0.4057971 0.1884058 -0.0000000), wk = 0.0036496 k( 55) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0036496 k( 56) = ( 0.3913044 0.2173913 -0.0000000), wk = 0.0036496 k( 57) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0036496 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0036496 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0036496 k( 60) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0036496 k( 61) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0036496 k( 62) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0036496 k( 63) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0036496 k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 66) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0036496 k( 67) = ( 0.3185185 0.3185185 -0.0000000), wk = 0.0036496 k( 68) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0036496 k( 69) = ( 0.3037037 0.3037037 -0.0000000), wk = 0.0036496 k( 70) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0036496 k( 71) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0036496 k( 72) = ( 0.2814815 0.2814815 -0.0000000), wk = 0.0036496 k( 73) = ( 0.2740741 0.2740741 -0.0000000), wk = 0.0036496 k( 74) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0036496 k( 75) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0036496 k( 76) = ( 0.2518518 0.2518518 -0.0000000), wk = 0.0036496 k( 77) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0036496 k( 78) = ( 0.2370370 0.2370370 0.0000000), wk = 0.0036496 k( 79) = ( 0.2296296 0.2296296 -0.0000000), wk = 0.0036496 k( 80) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0036496 k( 81) = ( 0.2148148 0.2148148 -0.0000000), wk = 0.0036496 k( 82) = ( 0.2074074 0.2074074 -0.0000000), wk = 0.0036496 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036496 k( 84) = ( 0.1925926 0.1925926 -0.0000000), wk = 0.0036496 k( 85) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0036496 k( 86) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0036496 k( 87) = ( 0.1703704 0.1703704 -0.0000000), wk = 0.0036496 k( 88) = ( 0.1629630 0.1629630 -0.0000000), wk = 0.0036496 k( 89) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0036496 k( 90) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0036496 k( 91) = ( 0.1407407 0.1407407 -0.0000000), wk = 0.0036496 k( 92) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0036496 k( 93) = ( 0.1259259 0.1259259 -0.0000000), wk = 0.0036496 k( 94) = ( 0.1185185 0.1185185 0.0000000), wk = 0.0036496 k( 95) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0036496 k( 96) = ( 0.1037037 0.1037037 -0.0000000), wk = 0.0036496 k( 97) = ( 0.0962963 0.0962963 -0.0000000), wk = 0.0036496 k( 98) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0036496 k( 99) = ( 0.0814815 0.0814815 -0.0000000), wk = 0.0036496 k( 100) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0036496 k( 101) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0036496 k( 102) = ( 0.0592593 0.0592593 0.0000000), wk = 0.0036496 k( 103) = ( 0.0518518 0.0518518 -0.0000000), wk = 0.0036496 k( 104) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0036496 k( 105) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0036496 k( 106) = ( 0.0296296 0.0296296 0.0000000), wk = 0.0036496 k( 107) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0036496 k( 108) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0036496 k( 109) = ( 0.0074074 0.0074074 -0.0000000), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0036496 k( 121) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0036496 k( 122) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0036496 k( 123) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0036496 k( 126) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0036496 k( 127) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0036496 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 130) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0036496 k( 131) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0036496 k( 132) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0036496 k( 133) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0036496 k( 134) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0036496 k( 135) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0036496 k( 136) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0036496 k( 137) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0036496 k( 138) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0036496 k( 139) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0036496 k( 140) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0036496 k( 141) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0036496 k( 142) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0036496 k( 143) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0036496 k( 144) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0036496 k( 145) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0036496 k( 146) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0036496 k( 147) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0036496 k( 148) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0036496 k( 149) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0036496 k( 150) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0036496 k( 151) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0036496 k( 152) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0036496 k( 153) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0036496 k( 154) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0036496 k( 155) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0036496 k( 156) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0036496 k( 157) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0036496 k( 158) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0036496 k( 159) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0036496 k( 160) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0036496 k( 161) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0036496 k( 162) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0036496 k( 163) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0036496 k( 164) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0036496 k( 165) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0036496 k( 166) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0036496 k( 167) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0036496 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 k( 170) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0036496 k( 171) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0036496 k( 172) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0036496 k( 173) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0036496 k( 174) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0036496 k( 175) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0036496 k( 176) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0036496 k( 177) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0036496 k( 178) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0036496 k( 179) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0036496 k( 180) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0036496 k( 181) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0036496 k( 182) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0036496 k( 183) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0036496 k( 184) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0036496 k( 185) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0036496 k( 186) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0036496 k( 187) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0036496 k( 188) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0036496 k( 189) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0036496 k( 190) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0036496 k( 191) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0036496 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 k( 194) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0036496 k( 195) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0036496 k( 196) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0036496 k( 197) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0036496 k( 198) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0036496 k( 199) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0036496 k( 200) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0036496 k( 201) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0036496 k( 202) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0036496 k( 203) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0036496 k( 204) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0036496 k( 205) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0036496 k( 206) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0036496 k( 207) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0036496 k( 208) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0036496 k( 209) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0036496 k( 210) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0036496 k( 211) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0036496 k( 212) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0036496 k( 213) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0036496 k( 214) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0036496 k( 215) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0036496 k( 216) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0036496 k( 217) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0036496 k( 218) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0036496 k( 219) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0036496 k( 220) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0036496 k( 221) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0036496 k( 222) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0036496 k( 223) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0036496 k( 224) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0036496 k( 225) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0036496 k( 226) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0036496 k( 227) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0036496 k( 228) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0036496 k( 229) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0036496 k( 230) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0036496 k( 231) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0036496 k( 232) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0036496 k( 233) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0036496 k( 234) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0036496 k( 235) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0036496 k( 236) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0036496 k( 237) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0036496 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036496 k( 240) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0036496 k( 241) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0036496 k( 242) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0036496 k( 243) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0036496 k( 244) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0036496 k( 245) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0036496 k( 246) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0036496 k( 247) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0036496 k( 248) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0036496 k( 249) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0036496 k( 250) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0036496 k( 251) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0036496 k( 252) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0036496 k( 253) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0036496 k( 254) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0036496 k( 255) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0036496 k( 256) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036496 k( 257) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 258) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0036496 k( 259) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0036496 k( 260) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0036496 k( 261) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0036496 k( 262) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0036496 k( 263) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0036496 k( 264) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0036496 k( 265) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0036496 k( 266) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0036496 k( 267) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0036496 k( 268) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0036496 k( 269) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0036496 k( 270) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0036496 k( 271) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0036496 k( 272) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0036496 k( 273) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0036496 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 Dense grid: 180757 G-vectors FFT dimensions: ( 60, 60, 120) Smooth grid: 45127 G-vectors FFT dimensions: ( 40, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 338, 62) NL pseudopotentials 0.53 Mb ( 169, 206) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5021) G-vector shells 0.02 Mb ( 2387) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 338, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) The potential is recalculated from file : ./BaSbAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.1 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.8 secs Computing kpt #: 11 total cpu time spent up to now is 14.9 secs Computing kpt #: 12 total cpu time spent up to now is 16.2 secs Computing kpt #: 13 total cpu time spent up to now is 17.5 secs Computing kpt #: 14 total cpu time spent up to now is 18.6 secs Computing kpt #: 15 total cpu time spent up to now is 19.8 secs Computing kpt #: 16 total cpu time spent up to now is 21.1 secs Computing kpt #: 17 total cpu time spent up to now is 22.3 secs Computing kpt #: 18 total cpu time spent up to now is 23.6 secs Computing kpt #: 19 total cpu time spent up to now is 24.7 secs Computing kpt #: 20 total cpu time spent up to now is 25.9 secs Computing kpt #: 21 total cpu time spent up to now is 27.2 secs Computing kpt #: 22 total cpu time spent up to now is 28.4 secs Computing kpt #: 23 total cpu time spent up to now is 29.7 secs Computing kpt #: 24 total cpu time spent up to now is 31.1 secs Computing kpt #: 25 total cpu time spent up to now is 32.6 secs Computing kpt #: 26 total cpu time spent up to now is 34.3 secs Computing kpt #: 27 total cpu time spent up to now is 35.4 secs Computing kpt #: 28 total cpu time spent up to now is 36.4 secs Computing kpt #: 29 total cpu time spent up to now is 37.4 secs Computing kpt #: 30 total cpu time spent up to now is 38.3 secs Computing kpt #: 31 total cpu time spent up to now is 39.3 secs Computing kpt #: 32 total cpu time spent up to now is 40.3 secs Computing kpt #: 33 total cpu time spent up to now is 41.3 secs Computing kpt #: 34 total cpu time spent up to now is 42.3 secs Computing kpt #: 35 total cpu time spent up to now is 43.3 secs Computing kpt #: 36 total cpu time spent up to now is 44.2 secs Computing kpt #: 37 total cpu time spent up to now is 45.2 secs Computing kpt #: 38 total cpu time spent up to now is 46.3 secs Computing kpt #: 39 total cpu time spent up to now is 47.4 secs Computing kpt #: 40 total cpu time spent up to now is 48.4 secs Computing kpt #: 41 total cpu time spent up to now is 49.4 secs Computing kpt #: 42 total cpu time spent up to now is 50.4 secs Computing kpt #: 43 total cpu time spent up to now is 51.3 secs Computing kpt #: 44 total cpu time spent up to now is 52.2 secs Computing kpt #: 45 total cpu time spent up to now is 53.2 secs Computing kpt #: 46 total cpu time spent up to now is 54.1 secs Computing kpt #: 47 total cpu time spent up to now is 55.1 secs Computing kpt #: 48 total cpu time spent up to now is 56.0 secs Computing kpt #: 49 total cpu time spent up to now is 57.1 secs Computing kpt #: 50 total cpu time spent up to now is 58.8 secs Computing kpt #: 51 total cpu time spent up to now is 60.3 secs Computing kpt #: 52 total cpu time spent up to now is 62.0 secs Computing kpt #: 53 total cpu time spent up to now is 63.6 secs Computing kpt #: 54 total cpu time spent up to now is 65.1 secs Computing kpt #: 55 total cpu time spent up to now is 66.6 secs Computing kpt #: 56 total cpu time spent up to now is 67.7 secs Computing kpt #: 57 total cpu time spent up to now is 68.7 secs Computing kpt #: 58 total cpu time spent up to now is 69.7 secs Computing kpt #: 59 total cpu time spent up to now is 70.6 secs Computing kpt #: 60 total cpu time spent up to now is 71.5 secs Computing kpt #: 61 total cpu time spent up to now is 72.4 secs Computing kpt #: 62 total cpu time spent up to now is 73.3 secs Computing kpt #: 63 total cpu time spent up to now is 74.2 secs Computing kpt #: 64 total cpu time spent up to now is 75.1 secs Computing kpt #: 65 total cpu time spent up to now is 75.9 secs Computing kpt #: 66 total cpu time spent up to now is 76.8 secs Computing kpt #: 67 total cpu time spent up to now is 77.7 secs Computing kpt #: 68 total cpu time spent up to now is 78.6 secs Computing kpt #: 69 total cpu time spent up to now is 79.5 secs Computing kpt #: 70 total cpu time spent up to now is 80.4 secs Computing kpt #: 71 total cpu time spent up to now is 81.3 secs Computing kpt #: 72 total cpu time spent up to now is 82.2 secs Computing kpt #: 73 total cpu time spent up to now is 83.1 secs Computing kpt #: 74 total cpu time spent up to now is 83.9 secs Computing kpt #: 75 total cpu time spent up to now is 84.7 secs Computing kpt #: 76 total cpu time spent up to now is 85.4 secs Computing kpt #: 77 total cpu time spent up to now is 86.2 secs Computing kpt #: 78 total cpu time spent up to now is 87.0 secs Computing kpt #: 79 total cpu time spent up to now is 87.8 secs Computing kpt #: 80 total cpu time spent up to now is 88.6 secs Computing kpt #: 81 total cpu time spent up to now is 89.4 secs Computing kpt #: 82 total cpu time spent up to now is 90.3 secs Computing kpt #: 83 total cpu time spent up to now is 91.2 secs Computing kpt #: 84 total cpu time spent up to now is 92.1 secs Computing kpt #: 85 total cpu time spent up to now is 93.0 secs Computing kpt #: 86 total cpu time spent up to now is 93.9 secs Computing kpt #: 87 total cpu time spent up to now is 94.9 secs Computing kpt #: 88 total cpu time spent up to now is 95.9 secs Computing kpt #: 89 total cpu time spent up to now is 96.9 secs Computing kpt #: 90 total cpu time spent up to now is 98.0 secs Computing kpt #: 91 total cpu time spent up to now is 99.1 secs Computing kpt #: 92 total cpu time spent up to now is 100.2 secs Computing kpt #: 93 total cpu time spent up to now is 101.4 secs Computing kpt #: 94 total cpu time spent up to now is 102.7 secs Computing kpt #: 95 total cpu time spent up to now is 103.9 secs Computing kpt #: 96 total cpu time spent up to now is 105.2 secs Computing kpt #: 97 total cpu time spent up to now is 106.3 secs Computing kpt #: 98 total cpu time spent up to now is 107.5 secs Computing kpt #: 99 total cpu time spent up to now is 108.7 secs Computing kpt #: 100 total cpu time spent up to now is 109.9 secs Computing kpt #: 101 total cpu time spent up to now is 111.0 secs Computing kpt #: 102 total cpu time spent up to now is 112.3 secs Computing kpt #: 103 total cpu time spent up to now is 113.4 secs Computing kpt #: 104 total cpu time spent up to now is 114.5 secs Computing kpt #: 105 total cpu time spent up to now is 115.5 secs Computing kpt #: 106 total cpu time spent up to now is 116.6 secs Computing kpt #: 107 total cpu time spent up to now is 117.6 secs Computing kpt #: 108 total cpu time spent up to now is 118.5 secs Computing kpt #: 109 total cpu time spent up to now is 119.5 secs Computing kpt #: 110 total cpu time spent up to now is 120.5 secs Computing kpt #: 111 total cpu time spent up to now is 121.4 secs Computing kpt #: 112 total cpu time spent up to now is 122.4 secs Computing kpt #: 113 total cpu time spent up to now is 123.3 secs Computing kpt #: 114 total cpu time spent up to now is 124.3 secs Computing kpt #: 115 total cpu time spent up to now is 125.2 secs Computing kpt #: 116 total cpu time spent up to now is 126.2 secs Computing kpt #: 117 total cpu time spent up to now is 127.2 secs Computing kpt #: 118 total cpu time spent up to now is 128.1 secs Computing kpt #: 119 total cpu time spent up to now is 129.1 secs Computing kpt #: 120 total cpu time spent up to now is 130.1 secs Computing kpt #: 121 total cpu time spent up to now is 131.2 secs Computing kpt #: 122 total cpu time spent up to now is 132.3 secs Computing kpt #: 123 total cpu time spent up to now is 133.4 secs Computing kpt #: 124 total cpu time spent up to now is 134.6 secs Computing kpt #: 125 total cpu time spent up to now is 135.9 secs Computing kpt #: 126 total cpu time spent up to now is 137.6 secs Computing kpt #: 127 total cpu time spent up to now is 139.1 secs Computing kpt #: 128 total cpu time spent up to now is 140.2 secs Computing kpt #: 129 total cpu time spent up to now is 141.3 secs Computing kpt #: 130 total cpu time spent up to now is 142.4 secs Computing kpt #: 131 total cpu time spent up to now is 143.5 secs Computing kpt #: 132 total cpu time spent up to now is 144.5 secs Computing kpt #: 133 total cpu time spent up to now is 145.6 secs Computing kpt #: 134 total cpu time spent up to now is 148.8 secs Computing kpt #: 135 total cpu time spent up to now is 149.9 secs Computing kpt #: 136 total cpu time spent up to now is 150.9 secs Computing kpt #: 137 total cpu time spent up to now is 152.0 secs Computing kpt #: 138 total cpu time spent up to now is 153.1 secs Computing kpt #: 139 total cpu time spent up to now is 154.4 secs Computing kpt #: 140 total cpu time spent up to now is 155.4 secs Computing kpt #: 141 total cpu time spent up to now is 156.7 secs Computing kpt #: 142 total cpu time spent up to now is 157.7 secs Computing kpt #: 143 total cpu time spent up to now is 158.7 secs Computing kpt #: 144 total cpu time spent up to now is 159.7 secs Computing kpt #: 145 total cpu time spent up to now is 160.8 secs Computing kpt #: 146 total cpu time spent up to now is 161.8 secs Computing kpt #: 147 total cpu time spent up to now is 162.8 secs Computing kpt #: 148 total cpu time spent up to now is 163.9 secs Computing kpt #: 149 total cpu time spent up to now is 165.1 secs Computing kpt #: 150 total cpu time spent up to now is 166.4 secs Computing kpt #: 151 total cpu time spent up to now is 167.6 secs Computing kpt #: 152 total cpu time spent up to now is 168.9 secs Computing kpt #: 153 total cpu time spent up to now is 170.1 secs Computing kpt #: 154 total cpu time spent up to now is 171.4 secs Computing kpt #: 155 total cpu time spent up to now is 172.6 secs Computing kpt #: 156 total cpu time spent up to now is 174.0 secs Computing kpt #: 157 total cpu time spent up to now is 175.4 secs Computing kpt #: 158 total cpu time spent up to now is 176.7 secs Computing kpt #: 159 total cpu time spent up to now is 178.1 secs Computing kpt #: 160 total cpu time spent up to now is 179.5 secs Computing kpt #: 161 total cpu time spent up to now is 181.0 secs Computing kpt #: 162 total cpu time spent up to now is 182.4 secs Computing kpt #: 163 total cpu time spent up to now is 183.9 secs Computing kpt #: 164 total cpu time spent up to now is 185.4 secs Computing kpt #: 165 total cpu time spent up to now is 186.9 secs Computing kpt #: 166 total cpu time spent up to now is 188.5 secs Computing kpt #: 167 total cpu time spent up to now is 190.2 secs Computing kpt #: 168 total cpu time spent up to now is 191.8 secs Computing kpt #: 169 total cpu time spent up to now is 193.4 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.5 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.8 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.0 secs Computing kpt #: 173 total cpu time spent up to now is 201.2 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.3 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.5 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.7 secs Computing kpt #: 177 total cpu time spent up to now is 209.8 secs Computing kpt #: 178 total cpu time spent up to now is 211.7 secs Computing kpt #: 179 total cpu time spent up to now is 213.5 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.7 secs Computing kpt #: 181 total cpu time spent up to now is 217.5 secs Computing kpt #: 182 total cpu time spent up to now is 219.3 secs Computing kpt #: 183 total cpu time spent up to now is 221.3 secs Computing kpt #: 184 total cpu time spent up to now is 223.2 secs Computing kpt #: 185 total cpu time spent up to now is 225.1 secs Computing kpt #: 186 total cpu time spent up to now is 227.0 secs Computing kpt #: 187 total cpu time spent up to now is 229.0 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.1 secs Computing kpt #: 189 total cpu time spent up to now is 233.1 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.3 secs Computing kpt #: 191 total cpu time spent up to now is 237.3 secs Computing kpt #: 192 total cpu time spent up to now is 239.3 secs Computing kpt #: 193 total cpu time spent up to now is 240.7 secs Computing kpt #: 194 total cpu time spent up to now is 242.5 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.8 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.0 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.3 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.5 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.8 secs Computing kpt #: 200 total cpu time spent up to now is 255.0 secs Computing kpt #: 201 total cpu time spent up to now is 256.8 secs Computing kpt #: 202 total cpu time spent up to now is 258.2 secs Computing kpt #: 203 total cpu time spent up to now is 259.4 secs Computing kpt #: 204 total cpu time spent up to now is 260.6 secs Computing kpt #: 205 total cpu time spent up to now is 261.8 secs Computing kpt #: 206 total cpu time spent up to now is 263.0 secs Computing kpt #: 207 total cpu time spent up to now is 264.0 secs Computing kpt #: 208 total cpu time spent up to now is 265.0 secs Computing kpt #: 209 total cpu time spent up to now is 266.0 secs Computing kpt #: 210 total cpu time spent up to now is 267.0 secs Computing kpt #: 211 total cpu time spent up to now is 267.9 secs Computing kpt #: 212 total cpu time spent up to now is 268.9 secs Computing kpt #: 213 total cpu time spent up to now is 269.8 secs Computing kpt #: 214 total cpu time spent up to now is 270.8 secs Computing kpt #: 215 total cpu time spent up to now is 271.8 secs Computing kpt #: 216 total cpu time spent up to now is 272.7 secs Computing kpt #: 217 total cpu time spent up to now is 273.7 secs Computing kpt #: 218 total cpu time spent up to now is 274.7 secs Computing kpt #: 219 total cpu time spent up to now is 275.7 secs Computing kpt #: 220 total cpu time spent up to now is 276.7 secs Computing kpt #: 221 total cpu time spent up to now is 277.7 secs Computing kpt #: 222 total cpu time spent up to now is 278.7 secs Computing kpt #: 223 total cpu time spent up to now is 279.7 secs Computing kpt #: 224 total cpu time spent up to now is 280.7 secs Computing kpt #: 225 total cpu time spent up to now is 281.7 secs Computing kpt #: 226 total cpu time spent up to now is 282.8 secs Computing kpt #: 227 total cpu time spent up to now is 283.8 secs Computing kpt #: 228 total cpu time spent up to now is 284.9 secs Computing kpt #: 229 total cpu time spent up to now is 286.0 secs Computing kpt #: 230 total cpu time spent up to now is 287.0 secs Computing kpt #: 231 total cpu time spent up to now is 288.0 secs Computing kpt #: 232 total cpu time spent up to now is 289.1 secs Computing kpt #: 233 total cpu time spent up to now is 290.1 secs Computing kpt #: 234 total cpu time spent up to now is 291.4 secs Computing kpt #: 235 total cpu time spent up to now is 292.5 secs Computing kpt #: 236 total cpu time spent up to now is 293.8 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.0 secs Computing kpt #: 238 total cpu time spent up to now is 297.2 secs Computing kpt #: 239 total cpu time spent up to now is 299.3 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.6 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.7 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.9 secs Computing kpt #: 243 total cpu time spent up to now is 307.7 secs Computing kpt #: 244 total cpu time spent up to now is 309.5 secs Computing kpt #: 245 total cpu time spent up to now is 311.1 secs Computing kpt #: 246 total cpu time spent up to now is 312.8 secs Computing kpt #: 247 total cpu time spent up to now is 314.4 secs Computing kpt #: 248 total cpu time spent up to now is 316.1 secs Computing kpt #: 249 total cpu time spent up to now is 317.7 secs Computing kpt #: 250 total cpu time spent up to now is 319.2 secs Computing kpt #: 251 total cpu time spent up to now is 320.7 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.9 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.1 secs Computing kpt #: 254 total cpu time spent up to now is 326.3 secs Computing kpt #: 255 total cpu time spent up to now is 327.4 secs Computing kpt #: 256 total cpu time spent up to now is 328.3 secs Computing kpt #: 257 total cpu time spent up to now is 329.2 secs Computing kpt #: 258 total cpu time spent up to now is 330.1 secs Computing kpt #: 259 total cpu time spent up to now is 331.0 secs Computing kpt #: 260 total cpu time spent up to now is 331.8 secs Computing kpt #: 261 total cpu time spent up to now is 332.7 secs Computing kpt #: 262 total cpu time spent up to now is 333.6 secs Computing kpt #: 263 total cpu time spent up to now is 334.5 secs Computing kpt #: 264 total cpu time spent up to now is 335.4 secs Computing kpt #: 265 total cpu time spent up to now is 336.3 secs Computing kpt #: 266 total cpu time spent up to now is 337.2 secs Computing kpt #: 267 total cpu time spent up to now is 338.1 secs Computing kpt #: 268 total cpu time spent up to now is 339.0 secs Computing kpt #: 269 total cpu time spent up to now is 339.9 secs Computing kpt #: 270 total cpu time spent up to now is 340.9 secs Computing kpt #: 271 total cpu time spent up to now is 341.9 secs Computing kpt #: 272 total cpu time spent up to now is 342.9 secs Computing kpt #: 273 total cpu time spent up to now is 344.2 secs Computing kpt #: 274 total cpu time spent up to now is 346.0 secs ethr = 1.92E-08, avg # of iterations = 47.0 total cpu time spent up to now is 346.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -18.5729 -18.5729 -18.5614 -18.5614 -5.2963 -5.2963 -5.1910 -5.1910 -3.5445 -3.5445 -3.1887 -3.1887 -3.1469 -3.1469 -3.1123 -3.1123 -0.8293 -0.8293 -0.0211 -0.0211 3.3209 3.3209 3.4533 3.4533 4.0664 4.0664 4.2258 4.2258 4.2545 4.2545 4.4057 4.4057 5.2990 5.2990 5.4431 5.4431 5.5051 5.5051 5.8144 5.8144 5.9744 5.9744 8.3916 8.3916 8.9553 8.9553 9.1605 9.1605 9.2849 9.2849 9.3474 9.3474 9.7938 9.7938 10.1721 10.1721 10.5290 10.5290 11.3331 11.3331 11.3367 11.3367 k = 0.0128 0.0074-0.0000 ( 5650 PWs) bands (ev): -18.5729 -18.5729 -18.5614 -18.5614 -5.2963 -5.2963 -5.1912 -5.1912 -3.5443 -3.5443 -3.1889 -3.1889 -3.1474 -3.1474 -3.1126 -3.1126 -0.8275 -0.8275 -0.0213 -0.0213 3.3216 3.3216 3.4534 3.4534 4.0666 4.0666 4.2248 4.2248 4.2558 4.2558 4.4056 4.4056 5.2991 5.2991 5.4433 5.4433 5.5031 5.5031 5.8124 5.8124 5.9808 5.9808 8.3905 8.3905 8.9217 8.9217 9.1107 9.1107 9.3188 9.3188 9.3673 9.3673 9.7995 9.7995 10.1699 10.1699 10.5337 10.5337 11.3477 11.3477 11.3485 11.3485 k = 0.0256 0.0148-0.0000 ( 5640 PWs) bands (ev): -18.5728 -18.5728 -18.5614 -18.5614 -5.2963 -5.2963 -5.1916 -5.1916 -3.5437 -3.5437 -3.1893 -3.1893 -3.1490 -3.1490 -3.1135 -3.1135 -0.8224 -0.8224 -0.0219 -0.0219 3.3237 3.3237 3.4534 3.4534 4.0670 4.0670 4.2220 4.2220 4.2595 4.2595 4.4053 4.4053 5.2992 5.2992 5.4439 5.4439 5.4972 5.4972 5.8073 5.8073 5.9991 5.9991 8.3873 8.3873 8.8251 8.8251 9.0713 9.0713 9.2434 9.2434 9.4995 9.4995 9.8059 9.8059 10.1667 10.1667 10.5472 10.5472 11.3826 11.3826 11.3913 11.3913 k = 0.0385 0.0222-0.0000 ( 5630 PWs) bands (ev): -18.5727 -18.5727 -18.5612 -18.5612 -5.2962 -5.2962 -5.1924 -5.1924 -3.5427 -3.5427 -3.1901 -3.1901 -3.1516 -3.1516 -3.1150 -3.1150 -0.8140 -0.8140 -0.0230 -0.0230 3.3271 3.3271 3.4536 3.4536 4.0677 4.0677 4.2182 4.2182 4.2648 4.2648 4.4049 4.4049 5.2993 5.2993 5.4446 5.4446 5.4883 5.4883 5.8007 5.8007 6.0269 6.0269 8.3819 8.3819 8.6976 8.6976 9.0505 9.0505 9.1402 9.1402 9.6355 9.6355 9.7990 9.7990 10.1697 10.1697 10.5674 10.5674 11.4374 11.4374 11.4607 11.4607 k = 0.0513 0.0296-0.0000 ( 5640 PWs) bands (ev): -18.5725 -18.5725 -18.5611 -18.5611 -5.2961 -5.2961 -5.1934 -5.1934 -3.5414 -3.5414 -3.1913 -3.1913 -3.1550 -3.1550 -3.1171 -3.1171 -0.8022 -0.8022 -0.0243 -0.0243 3.3320 3.3320 3.4537 3.4537 4.0687 4.0687 4.2137 4.2137 4.2714 4.2714 4.4043 4.4043 5.2995 5.2995 5.4449 5.4449 5.4775 5.4775 5.7940 5.7940 6.0621 6.0621 8.3743 8.3743 8.5607 8.5607 8.9992 8.9992 9.0552 9.0552 9.7188 9.7188 9.8212 9.8212 10.1824 10.1824 10.5921 10.5921 11.5091 11.5091 11.5533 11.5533 k = 0.0641 0.0370-0.0000 ( 5636 PWs) bands (ev): -18.5723 -18.5723 -18.5609 -18.5609 -5.2960 -5.2960 -5.1947 -5.1947 -3.5397 -3.5397 -3.1931 -3.1931 -3.1590 -3.1590 -3.1198 -3.1198 -0.7872 -0.7872 -0.0261 -0.0261 3.3382 3.3382 3.4539 3.4539 4.0700 4.0700 4.2087 4.2087 4.2790 4.2790 4.4036 4.4036 5.2997 5.2997 5.4429 5.4429 5.4678 5.4678 5.7876 5.7876 6.1034 6.1034 8.3627 8.3627 8.4230 8.4230 8.8731 8.8731 9.0351 9.0351 9.6776 9.6776 9.9434 9.9434 10.2053 10.2053 10.6195 10.6195 11.5931 11.5931 11.6654 11.6654 k = 0.0769 0.0444-0.0000 ( 5640 PWs) bands (ev): -18.5720 -18.5720 -18.5607 -18.5607 -5.2960 -5.2960 -5.1963 -5.1963 -3.5377 -3.5377 -3.1959 -3.1959 -3.1632 -3.1632 -3.1230 -3.1230 -0.7691 -0.7691 -0.0281 -0.0281 3.3457 3.3457 3.4542 3.4542 4.0715 4.0715 4.2033 4.2033 4.2877 4.2877 4.4029 4.4029 5.2999 5.2999 5.4346 5.4346 5.4634 5.4634 5.7817 5.7817 6.1498 6.1498 8.2748 8.2748 8.3588 8.3588 8.7348 8.7348 9.0204 9.0204 9.6051 9.6051 10.0681 10.0681 10.2440 10.2440 10.6485 10.6485 11.6603 11.6603 11.7087 11.7087 k = 0.0897 0.0518-0.0000 ( 5646 PWs) bands (ev): -18.5717 -18.5717 -18.5604 -18.5604 -5.2958 -5.2958 -5.1982 -5.1982 -3.5353 -3.5353 -3.1998 -3.1998 -3.1673 -3.1673 -3.1267 -3.1267 -0.7481 -0.7481 -0.0305 -0.0305 3.3545 3.3545 3.4545 3.4545 4.0731 4.0731 4.1976 4.1976 4.2973 4.2973 4.4023 4.4023 5.3001 5.3001 5.4212 5.4212 5.4642 5.4642 5.7764 5.7764 6.2006 6.2006 8.1350 8.1350 8.3443 8.3443 8.5935 8.5935 9.0048 9.0048 9.5205 9.5205 10.1552 10.1552 10.3219 10.3219 10.6789 10.6789 11.6147 11.6147 11.7986 11.7986 k = 0.1026 0.0592-0.0000 ( 5644 PWs) bands (ev): -18.5714 -18.5714 -18.5601 -18.5601 -5.2957 -5.2957 -5.2003 -5.2003 -3.5325 -3.5325 -3.2052 -3.2052 -3.1708 -3.1708 -3.1310 -3.1310 -0.7242 -0.7242 -0.0330 -0.0330 3.3645 3.3645 3.4549 3.4549 4.0749 4.0749 4.1915 4.1915 4.3078 4.3078 4.4018 4.4018 5.3002 5.3002 5.4058 5.4058 5.4672 5.4672 5.7714 5.7714 6.2552 6.2552 7.9944 7.9944 8.3261 8.3261 8.4547 8.4547 8.9873 8.9873 9.4289 9.4289 10.1978 10.1978 10.4411 10.4411 10.7120 10.7120 11.5508 11.5508 11.9046 11.9046 k = 0.1154 0.0666-0.0000 ( 5640 PWs) bands (ev): -18.5710 -18.5710 -18.5597 -18.5597 -5.2956 -5.2956 -5.2027 -5.2027 -3.5295 -3.5295 -3.2121 -3.2121 -3.1737 -3.1737 -3.1356 -3.1356 -0.6976 -0.6976 -0.0358 -0.0358 3.3756 3.3756 3.4554 3.4554 4.0768 4.0768 4.1852 4.1852 4.3190 4.3190 4.4016 4.4016 5.3001 5.3001 5.3900 5.3900 5.4712 5.4712 5.7667 5.7667 6.3133 6.3133 7.8544 7.8544 8.2726 8.2726 8.3508 8.3508 8.9677 8.9677 9.3330 9.3330 10.2221 10.2221 10.5698 10.5698 10.7516 10.7516 11.4811 11.4811 11.9827 11.9827 k = 0.1282 0.0740-0.0000 ( 5648 PWs) bands (ev): -18.5705 -18.5705 -18.5593 -18.5593 -5.2956 -5.2956 -5.2052 -5.2052 -3.5261 -3.5261 -3.2205 -3.2205 -3.1759 -3.1759 -3.1407 -3.1407 -0.6686 -0.6686 -0.0386 -0.0386 3.3879 3.3879 3.4560 3.4560 4.0788 4.0788 4.1786 4.1786 4.3308 4.3308 4.4019 4.4019 5.2997 5.2997 5.3745 5.3745 5.4760 5.4760 5.7621 5.7621 6.3746 6.3746 7.7154 7.7154 8.1462 8.1462 8.3204 8.3204 8.9457 8.9457 9.2347 9.2347 10.2394 10.2394 10.6808 10.6808 10.8121 10.8121 11.4074 11.4074 12.0142 12.0142 k = 0.1410 0.0814-0.0000 ( 5648 PWs) bands (ev): -18.5700 -18.5700 -18.5589 -18.5589 -5.2955 -5.2955 -5.2080 -5.2080 -3.5225 -3.5225 -3.2300 -3.2300 -3.1776 -3.1776 -3.1460 -3.1460 -0.6373 -0.6373 -0.0415 -0.0415 3.4011 3.4011 3.4568 3.4568 4.0808 4.0808 4.1719 4.1719 4.3429 4.3429 4.4028 4.4028 5.2988 5.2988 5.3596 5.3596 5.4812 5.4812 5.7577 5.7577 6.4388 6.4388 7.5778 7.5778 8.0072 8.0072 8.3040 8.3040 8.9214 8.9214 9.1350 9.1350 10.2524 10.2524 10.7500 10.7500 10.9131 10.9131 11.3315 11.3315 12.0480 12.0480 k = 0.1538 0.0888-0.0000 ( 5644 PWs) bands (ev): -18.5695 -18.5695 -18.5585 -18.5585 -5.2955 -5.2955 -5.2110 -5.2110 -3.5186 -3.5186 -3.2403 -3.2403 -3.1789 -3.1789 -3.1517 -3.1517 -0.6039 -0.6039 -0.0444 -0.0444 3.4152 3.4152 3.4578 3.4578 4.0827 4.0827 4.1651 4.1651 4.3549 4.3549 4.4050 4.4050 5.2972 5.2972 5.3459 5.3459 5.4868 5.4868 5.7533 5.7533 6.5056 6.5056 7.4418 7.4418 7.8683 7.8683 8.2899 8.2899 8.8947 8.8947 9.0349 9.0349 10.2620 10.2620 10.7941 10.7941 11.0345 11.0345 11.2549 11.2549 12.0847 12.0847 k = 0.1667 0.0962-0.0000 ( 5644 PWs) bands (ev): -18.5690 -18.5690 -18.5580 -18.5580 -5.2955 -5.2955 -5.2142 -5.2142 -3.5144 -3.5144 -3.2513 -3.2513 -3.1801 -3.1801 -3.1576 -3.1576 -0.5687 -0.5687 -0.0472 -0.0472 3.4299 3.4299 3.4594 3.4594 4.0845 4.0845 4.1582 4.1582 4.3659 4.3659 4.4090 4.4090 5.2943 5.2943 5.3339 5.3339 5.4926 5.4926 5.7490 5.7490 6.5748 6.5748 7.3079 7.3079 7.7311 7.7311 8.2767 8.2767 8.8653 8.8653 8.9353 8.9353 10.2678 10.2678 10.8311 10.8311 11.1417 11.1417 11.1931 11.1931 12.1240 12.1240 k = 0.1795 0.1036-0.0000 ( 5634 PWs) bands (ev): -18.5685 -18.5685 -18.5575 -18.5575 -5.2955 -5.2955 -5.2175 -5.2175 -3.5101 -3.5101 -3.2628 -3.2628 -3.1811 -3.1811 -3.1637 -3.1637 -0.5319 -0.5319 -0.0497 -0.0497 3.4443 3.4443 3.4623 3.4623 4.0860 4.0860 4.1515 4.1515 4.3749 4.3749 4.4160 4.4160 5.2893 5.2893 5.3245 5.3245 5.4986 5.4986 5.7446 5.7446 6.6458 6.6458 7.1767 7.1767 7.5963 7.5963 8.2642 8.2642 8.8262 8.8262 8.8440 8.8440 10.2698 10.2698 10.8664 10.8664 11.0917 11.0917 11.2820 11.2820 12.1660 12.1660 k = 0.1923 0.1110-0.0000 ( 5626 PWs) bands (ev): -18.5679 -18.5679 -18.5570 -18.5570 -5.2956 -5.2956 -5.2210 -5.2210 -3.5055 -3.5055 -3.2745 -3.2745 -3.1823 -3.1823 -3.1697 -3.1697 -0.4937 -0.4937 -0.0521 -0.0521 3.4548 3.4548 3.4700 3.4700 4.0872 4.0872 4.1449 4.1449 4.3812 4.3812 4.4263 4.4263 5.2819 5.2819 5.3181 5.3181 5.5047 5.5047 5.7403 5.7403 6.7182 6.7182 7.0489 7.0489 7.4643 7.4643 8.2523 8.2523 8.7353 8.7353 8.8036 8.8036 10.2675 10.2675 10.9015 10.9015 11.0155 11.0155 11.3882 11.3882 12.2102 12.2102 k = 0.2051 0.1184-0.0000 ( 5624 PWs) bands (ev): -18.5673 -18.5673 -18.5565 -18.5565 -5.2957 -5.2957 -5.2246 -5.2246 -3.5009 -3.5009 -3.2865 -3.2865 -3.1838 -3.1838 -3.1753 -3.1753 -0.4545 -0.4545 -0.0540 -0.0540 3.4596 3.4596 3.4846 3.4846 4.0877 4.0877 4.1387 4.1387 4.3852 4.3852 4.4394 4.4394 5.2725 5.2725 5.3141 5.3141 5.5107 5.5107 5.7361 5.7361 6.7887 6.7887 6.9278 6.9278 7.3353 7.3353 8.2410 8.2410 8.6393 8.6393 8.7681 8.7681 10.2605 10.2605 10.9339 10.9339 10.9424 10.9424 11.4845 11.4845 12.2567 12.2567 k = 0.2179 0.1258-0.0000 ( 5624 PWs) bands (ev): -18.5667 -18.5667 -18.5559 -18.5559 -5.2959 -5.2959 -5.2283 -5.2283 -3.4961 -3.4961 -3.2985 -3.2985 -3.1867 -3.1867 -3.1795 -3.1795 -0.4145 -0.4145 -0.0553 -0.0553 3.4628 3.4628 3.5018 3.5018 4.0876 4.0876 4.1332 4.1332 4.3879 4.3879 4.4542 4.4542 5.2623 5.2623 5.3115 5.3115 5.5167 5.5167 5.7318 5.7318 6.7866 6.7866 6.8840 6.8840 7.2098 7.2098 8.2297 8.2297 8.5454 8.5454 8.7312 8.7312 10.2487 10.2487 10.8631 10.8631 10.9742 10.9742 11.5705 11.5705 12.3049 12.3049 k = 0.2308 0.1332-0.0000 ( 5624 PWs) bands (ev): -18.5660 -18.5660 -18.5554 -18.5554 -5.2962 -5.2962 -5.2320 -5.2320 -3.4913 -3.4913 -3.3104 -3.3104 -3.1917 -3.1917 -3.1815 -3.1815 -0.3742 -0.3742 -0.0559 -0.0559 3.4661 3.4661 3.5199 3.5199 4.0864 4.0864 4.1284 4.1284 4.3896 4.3896 4.4700 4.4700 5.2520 5.2520 5.3095 5.3095 5.5224 5.5224 5.7277 5.7277 6.6770 6.6770 6.9502 6.9502 7.0905 7.0905 8.2177 8.2177 8.4549 8.4549 8.6929 8.6929 10.2322 10.2322 10.7889 10.7889 11.0119 11.0119 11.6477 11.6477 12.3546 12.3546 k = 0.2436 0.1406-0.0000 ( 5614 PWs) bands (ev): -18.5654 -18.5654 -18.5548 -18.5548 -5.2964 -5.2964 -5.2358 -5.2358 -3.4865 -3.4865 -3.3222 -3.3222 -3.1976 -3.1976 -3.1825 -3.1825 -0.3340 -0.3340 -0.0556 -0.0556 3.4698 3.4698 3.5385 3.5385 4.0841 4.0841 4.1246 4.1246 4.3905 4.3905 4.4862 4.4862 5.2418 5.2418 5.3078 5.3078 5.5278 5.5278 5.7236 5.7236 6.5657 6.5657 6.9514 6.9514 7.0470 7.0470 8.2024 8.2024 8.3709 8.3709 8.6534 8.6534 10.2113 10.2113 10.7160 10.7160 11.0510 11.0510 11.7189 11.7189 12.4055 12.4055 k = 0.2564 0.1480-0.0000 ( 5618 PWs) bands (ev): -18.5648 -18.5648 -18.5543 -18.5543 -5.2968 -5.2968 -5.2396 -5.2396 -3.4818 -3.4818 -3.3339 -3.3339 -3.2036 -3.2036 -3.1832 -3.1832 -0.2945 -0.2945 -0.0538 -0.0538 3.4742 3.4742 3.5574 3.5574 4.0807 4.0807 4.1217 4.1217 4.3907 4.3907 4.5027 4.5027 5.2321 5.2321 5.3062 5.3062 5.5327 5.5327 5.7197 5.7197 6.4589 6.4589 6.8422 6.8422 7.1188 7.1188 8.1762 8.1762 8.3010 8.3010 8.6131 8.6131 10.1864 10.1864 10.6445 10.6445 11.0915 11.0915 11.7868 11.7868 12.4569 12.4569 k = 0.2692 0.1554-0.0000 ( 5624 PWs) bands (ev): -18.5642 -18.5642 -18.5537 -18.5537 -5.2972 -5.2972 -5.2434 -5.2434 -3.4771 -3.4771 -3.3452 -3.3452 -3.2096 -3.2096 -3.1838 -3.1838 -0.2567 -0.2567 -0.0499 -0.0499 3.4794 3.4794 3.5765 3.5765 4.0764 4.0764 4.1195 4.1195 4.3900 4.3900 4.5190 4.5190 5.2229 5.2229 5.3046 5.3046 5.5370 5.5370 5.7159 5.7159 6.3578 6.3578 6.7300 6.7300 7.1978 7.1978 8.1266 8.1266 8.2581 8.2581 8.5720 8.5720 10.1582 10.1582 10.5745 10.5745 11.1334 11.1334 11.8539 11.8539 12.5085 12.5085 k = 0.2821 0.1628-0.0000 ( 5636 PWs) bands (ev): -18.5635 -18.5635 -18.5531 -18.5531 -5.2976 -5.2976 -5.2472 -5.2472 -3.4726 -3.4726 -3.3562 -3.3562 -3.2154 -3.2154 -3.1842 -3.1842 -0.2216 -0.2216 -0.0431 -0.0431 3.4855 3.4855 3.5956 3.5956 4.0716 4.0716 4.1176 4.1176 4.3881 4.3881 4.5352 4.5352 5.2144 5.2144 5.3030 5.3030 5.5407 5.5407 5.7123 5.7123 6.2630 6.2630 6.6206 6.6206 7.2779 7.2779 8.0574 8.0574 8.2385 8.2385 8.5307 8.5307 10.1273 10.1273 10.5061 10.5061 11.1768 11.1768 11.9217 11.9217 12.5596 12.5596 k = 0.2949 0.1702-0.0000 ( 5644 PWs) bands (ev): -18.5629 -18.5629 -18.5526 -18.5526 -5.2981 -5.2981 -5.2509 -5.2509 -3.4682 -3.4682 -3.3667 -3.3667 -3.2209 -3.2209 -3.1846 -3.1846 -0.1909 -0.1909 -0.0320 -0.0320 3.4926 3.4926 3.6145 3.6145 4.0665 4.0665 4.1157 4.1157 4.3848 4.3848 4.5509 4.5509 5.2065 5.2065 5.3013 5.3013 5.5435 5.5435 5.7087 5.7087 6.1750 6.1750 6.5150 6.5150 7.3579 7.3579 7.9820 7.9820 8.2294 8.2294 8.4895 8.4895 10.0945 10.0945 10.4391 10.4391 11.2214 11.2214 11.9915 11.9915 12.6094 12.6094 k = 0.3077 0.1776-0.0000 ( 5642 PWs) bands (ev): -18.5623 -18.5623 -18.5521 -18.5521 -5.2986 -5.2986 -5.2546 -5.2546 -3.4641 -3.4641 -3.3767 -3.3767 -3.2261 -3.2261 -3.1850 -3.1850 -0.1661 -0.1661 -0.0152 -0.0152 3.5009 3.5009 3.6332 3.6332 4.0614 4.0614 4.1136 4.1136 4.3797 4.3797 4.5662 4.5662 5.1992 5.1992 5.2997 5.2997 5.5454 5.5454 5.7052 5.7052 6.0943 6.0943 6.4136 6.4136 7.4371 7.4371 7.9065 7.9065 8.2250 8.2250 8.4487 8.4487 10.0603 10.0603 10.3737 10.3737 11.2671 11.2671 12.0636 12.0636 12.6558 12.6558 k = 0.3205 0.1850-0.0000 ( 5640 PWs) bands (ev): -18.5617 -18.5617 -18.5516 -18.5516 -5.2991 -5.2991 -5.2581 -5.2581 -3.4604 -3.4604 -3.3862 -3.3862 -3.2310 -3.2310 -3.1853 -3.1853 -0.1479 -0.1479 0.0074 0.0074 3.5103 3.5103 3.6515 3.6515 4.0565 4.0565 4.1109 4.1109 4.3727 4.3727 4.5811 4.5811 5.1927 5.1927 5.2983 5.2983 5.5463 5.5463 5.7014 5.7014 6.0213 6.0213 6.3170 6.3170 7.5141 7.5141 7.8338 7.8338 8.2233 8.2233 8.4087 8.4087 10.0252 10.0252 10.3099 10.3099 11.3138 11.3138 12.1379 12.1379 12.6727 12.6727 k = 0.3333 0.1925-0.0000 ( 5640 PWs) bands (ev): -18.5612 -18.5612 -18.5511 -18.5511 -5.2997 -5.2997 -5.2615 -5.2615 -3.4570 -3.4570 -3.3950 -3.3950 -3.2354 -3.2354 -3.1856 -3.1856 -0.1353 -0.1353 0.0349 0.0349 3.5209 3.5209 3.6693 3.6693 4.0520 4.0520 4.1074 4.1074 4.3634 4.3634 4.5954 4.5954 5.1868 5.1868 5.2971 5.2971 5.5459 5.5459 5.6971 5.6971 5.9560 5.9560 6.2258 6.2258 7.5860 7.5860 7.7673 7.7673 8.2237 8.2237 8.3702 8.3702 9.9896 9.9896 10.2480 10.2480 11.3610 11.3610 12.2141 12.2141 12.6462 12.6462 k = 0.3462 0.1999-0.0000 ( 5652 PWs) bands (ev): -18.5607 -18.5607 -18.5506 -18.5506 -5.3002 -5.3002 -5.2648 -5.2648 -3.4541 -3.4541 -3.4032 -3.4032 -3.2395 -3.2395 -3.1859 -3.1859 -0.1269 -0.1269 0.0653 0.0653 3.5327 3.5327 3.6866 3.6866 4.0481 4.0481 4.1030 4.1030 4.3517 4.3517 4.6092 4.6092 5.1817 5.1817 5.2963 5.2963 5.5442 5.5442 5.6920 5.6920 5.8985 5.8985 6.1410 6.1410 7.6331 7.6331 7.7263 7.7263 8.2258 8.2258 8.3339 8.3339 9.9534 9.9534 10.1884 10.1884 11.4085 11.4085 12.2911 12.2911 12.6206 12.6206 k = 0.3590 0.2073-0.0000 ( 5638 PWs) bands (ev): -18.5601 -18.5601 -18.5501 -18.5501 -5.3008 -5.3008 -5.2679 -5.2679 -3.4518 -3.4518 -3.4104 -3.4104 -3.2431 -3.2431 -3.1861 -3.1861 -0.1211 -0.1211 0.0967 0.0967 3.5457 3.5457 3.7032 3.7032 4.0449 4.0449 4.0974 4.0974 4.3377 4.3377 4.6226 4.6226 5.1772 5.1772 5.2960 5.2960 5.5409 5.5409 5.6854 5.6854 5.8486 5.8486 6.0638 6.0638 7.6050 7.6050 7.7606 7.7606 8.2282 8.2282 8.3019 8.3019 9.9166 9.9166 10.1316 10.1316 11.4558 11.4558 12.3671 12.3671 12.6001 12.6001 k = 0.3718 0.2147-0.0000 ( 5628 PWs) bands (ev): -18.5597 -18.5597 -18.5497 -18.5497 -5.3013 -5.3013 -5.2708 -5.2708 -3.4502 -3.4502 -3.4167 -3.4167 -3.2463 -3.2463 -3.1863 -3.1863 -0.1169 -0.1169 0.1280 0.1280 3.5597 3.5597 3.7192 3.7192 4.0423 4.0423 4.0904 4.0904 4.3215 4.3215 4.6357 4.6357 5.1733 5.1733 5.2963 5.2963 5.5356 5.5356 5.6765 5.6765 5.8060 5.8060 5.9956 5.9956 7.5508 7.5508 7.8201 7.8201 8.2256 8.2256 8.2807 8.2807 9.8787 9.8787 10.0785 10.0785 11.5026 11.5026 12.4388 12.4388 12.5869 12.5869 k = 0.3846 0.2221-0.0000 ( 5640 PWs) bands (ev): -18.5592 -18.5592 -18.5493 -18.5493 -5.3019 -5.3019 -5.2735 -5.2735 -3.4495 -3.4495 -3.4217 -3.4217 -3.2491 -3.2491 -3.1865 -3.1865 -0.1138 -0.1138 0.1582 0.1582 3.5745 3.5745 3.7346 3.7346 4.0405 4.0405 4.0820 4.0820 4.3037 4.3037 4.6484 4.6484 5.1700 5.1700 5.2974 5.2974 5.5275 5.5275 5.6648 5.6648 5.7701 5.7701 5.9381 5.9381 7.4964 7.4964 7.8776 7.8776 8.2091 8.2091 8.2804 8.2804 9.8394 9.8394 10.0301 10.0301 11.5483 11.5483 12.4979 12.4979 12.5864 12.5864 k = 0.3974 0.2295-0.0000 ( 5638 PWs) bands (ev): -18.5588 -18.5588 -18.5490 -18.5490 -5.3024 -5.3024 -5.2759 -5.2759 -3.4500 -3.4500 -3.4253 -3.4253 -3.2514 -3.2514 -3.1866 -3.1866 -0.1113 -0.1113 0.1866 0.1866 3.5898 3.5898 3.7495 3.7495 4.0390 4.0390 4.0722 4.0722 4.2848 4.2848 4.6607 4.6607 5.1672 5.1672 5.2992 5.2992 5.5157 5.5157 5.6506 5.6506 5.7401 5.7401 5.8929 5.8929 7.4455 7.4455 7.9280 7.9280 8.1848 8.1848 8.2964 8.2964 9.7981 9.7981 9.9873 9.9873 11.5924 11.5924 12.5281 12.5281 12.6116 12.6116 k = 0.4103 0.2369-0.0000 ( 5642 PWs) bands (ev): -18.5585 -18.5585 -18.5487 -18.5487 -5.3028 -5.3028 -5.2781 -5.2781 -3.4515 -3.4515 -3.4275 -3.4275 -3.2534 -3.2534 -3.1868 -3.1868 -0.1094 -0.1094 0.2127 0.2127 3.6052 3.6052 3.7644 3.7644 4.0366 4.0366 4.0621 4.0621 4.2656 4.2656 4.6727 4.6727 5.1650 5.1650 5.3016 5.3016 5.4991 5.4991 5.6353 5.6353 5.7152 5.7152 5.8598 5.8598 7.3992 7.3992 7.9693 7.9693 8.1601 8.1601 8.3221 8.3221 9.7551 9.7551 9.9508 9.9508 11.6343 11.6343 12.5363 12.5363 12.6517 12.6517 k = 0.4231 0.2443-0.0000 ( 5636 PWs) bands (ev): -18.5582 -18.5582 -18.5484 -18.5484 -5.3033 -5.3033 -5.2801 -5.2801 -3.4537 -3.4537 -3.4286 -3.4286 -3.2550 -3.2550 -3.1869 -3.1869 -0.1078 -0.1078 0.2362 0.2362 3.6203 3.6203 3.7795 3.7795 4.0295 4.0295 4.0552 4.0552 4.2469 4.2469 4.6841 4.6841 5.1631 5.1631 5.3044 5.3044 5.4776 5.4776 5.6215 5.6215 5.6948 5.6948 5.8373 5.8373 7.3580 7.3580 8.0011 8.0011 8.1372 8.1372 8.3544 8.3544 9.7114 9.7114 9.9206 9.9206 11.6731 11.6731 12.5402 12.5402 12.6862 12.6862 k = 0.4359 0.2517-0.0000 ( 5640 PWs) bands (ev): -18.5579 -18.5579 -18.5481 -18.5481 -5.3036 -5.3036 -5.2817 -5.2817 -3.4561 -3.4561 -3.4290 -3.4290 -3.2563 -3.2563 -3.1870 -3.1870 -0.1065 -0.1065 0.2565 0.2565 3.6342 3.6342 3.7954 3.7954 4.0153 4.0153 4.0538 4.0538 4.2295 4.2295 4.6948 4.6948 5.1617 5.1617 5.3075 5.3075 5.4527 5.4527 5.6106 5.6106 5.6784 5.6784 5.8226 5.8226 7.3225 7.3225 8.0242 8.0242 8.1172 8.1172 8.3905 8.3905 9.6685 9.6685 9.8963 9.8963 11.7081 11.7081 12.5445 12.5445 12.7097 12.7097 k = 0.4487 0.2591-0.0000 ( 5634 PWs) bands (ev): -18.5577 -18.5577 -18.5479 -18.5479 -5.3040 -5.3040 -5.2831 -5.2831 -3.4585 -3.4585 -3.4291 -3.4291 -3.2573 -3.2573 -3.1870 -3.1870 -0.1054 -0.1054 0.2736 0.2736 3.6465 3.6465 3.8125 3.8125 3.9963 3.9963 4.0554 4.0554 4.2141 4.2141 4.7045 4.7045 5.1606 5.1606 5.3105 5.3105 5.4272 5.4272 5.6029 5.6029 5.6655 5.6655 5.8132 5.8132 7.2929 7.2929 8.0403 8.0403 8.1003 8.1003 8.4270 8.4270 9.6286 9.6286 9.8772 9.8772 11.7385 11.7385 12.5495 12.5495 12.7232 12.7232 k = 0.4615 0.2665-0.0000 ( 5622 PWs) bands (ev): -18.5575 -18.5575 -18.5478 -18.5478 -5.3042 -5.3042 -5.2842 -5.2842 -3.4604 -3.4604 -3.4290 -3.4290 -3.2581 -3.2581 -3.1871 -3.1871 -0.1046 -0.1046 0.2871 0.2871 3.6565 3.6565 3.8310 3.8310 3.9748 3.9748 4.0581 4.0581 4.2014 4.2014 4.7126 4.7126 5.1599 5.1599 5.3134 5.3134 5.4042 5.4042 5.5977 5.5977 5.6558 5.6558 5.8073 5.8073 7.2695 7.2695 8.0511 8.0511 8.0870 8.0870 8.4602 8.4602 9.5940 9.5940 9.8628 9.8628 11.7634 11.7634 12.5546 12.5546 12.7295 12.7295 k = 0.4744 0.2739-0.0000 ( 5628 PWs) bands (ev): -18.5574 -18.5574 -18.5477 -18.5477 -5.3044 -5.3044 -5.2850 -5.2850 -3.4619 -3.4619 -3.4289 -3.4289 -3.2586 -3.2586 -3.1871 -3.1871 -0.1041 -0.1041 0.2968 0.2968 3.6638 3.6638 3.8510 3.8510 3.9520 3.9520 4.0607 4.0607 4.1917 4.1917 4.7189 4.7189 5.1593 5.1593 5.3157 5.3157 5.3860 5.3860 5.5946 5.5946 5.6491 5.6491 5.8038 5.8038 7.2527 7.2527 8.0579 8.0579 8.0773 8.0773 8.4868 8.4868 9.5670 9.5670 9.8528 9.8528 11.7818 11.7818 12.5590 12.5590 12.7317 12.7317 k = 0.4872 0.2813-0.0000 ( 5632 PWs) bands (ev): -18.5573 -18.5573 -18.5476 -18.5476 -5.3045 -5.3045 -5.2854 -5.2854 -3.4628 -3.4628 -3.4288 -3.4288 -3.2589 -3.2589 -3.1872 -3.1872 -0.1037 -0.1037 0.3028 0.3028 3.6683 3.6683 3.8713 3.8713 3.9298 3.9298 4.0627 4.0627 4.1857 4.1857 4.7228 4.7228 5.1590 5.1590 5.3173 5.3173 5.3743 5.3743 5.5928 5.5928 5.6451 5.6451 5.8019 5.8019 7.2425 7.2425 8.0618 8.0618 8.0714 8.0714 8.5041 8.5041 9.5497 9.5497 9.8469 9.8469 11.7932 11.7932 12.5620 12.5620 12.7321 12.7321 k = 0.5000 0.2887-0.0000 ( 5634 PWs) bands (ev): -18.5573 -18.5573 -18.5476 -18.5476 -5.3045 -5.3045 -5.2856 -5.2856 -3.4631 -3.4631 -3.4288 -3.4288 -3.2590 -3.2590 -3.1872 -3.1872 -0.1036 -0.1036 0.3047 0.3047 3.6698 3.6698 3.8836 3.8836 3.9168 3.9168 4.0634 4.0634 4.1836 4.1836 4.7242 4.7242 5.1589 5.1589 5.3179 5.3179 5.3702 5.3702 5.5923 5.5923 5.6438 5.6438 5.8013 5.8013 7.2390 7.2390 8.0631 8.0631 8.0693 8.0693 8.5101 8.5101 9.5438 9.5438 9.8449 9.8449 11.7971 11.7971 12.5631 12.5631 12.7320 12.7320 k = 0.5000 0.2887-0.0000 ( 5634 PWs) bands (ev): -18.5573 -18.5573 -18.5476 -18.5476 -5.3045 -5.3045 -5.2856 -5.2856 -3.4631 -3.4631 -3.4288 -3.4288 -3.2590 -3.2590 -3.1872 -3.1872 -0.1036 -0.1036 0.3047 0.3047 3.6698 3.6698 3.8836 3.8836 3.9168 3.9168 4.0634 4.0634 4.1836 4.1836 4.7242 4.7242 5.1589 5.1589 5.3179 5.3179 5.3702 5.3702 5.5923 5.5923 5.6438 5.6438 5.8013 5.8013 7.2390 7.2390 8.0631 8.0631 8.0693 8.0693 8.5101 8.5101 9.5438 9.5438 9.8449 9.8449 11.7971 11.7971 12.5631 12.5631 12.7320 12.7320 k = 0.4928 0.3012-0.0000 ( 5630 PWs) bands (ev): -18.5573 -18.5573 -18.5476 -18.5476 -5.3046 -5.3046 -5.2856 -5.2856 -3.4630 -3.4630 -3.4287 -3.4287 -3.2592 -3.2592 -3.1875 -3.1875 -0.1028 -0.1028 0.3046 0.3046 3.6697 3.6697 3.8836 3.8836 3.9152 3.9152 4.0659 4.0659 4.1841 4.1841 4.7228 4.7228 5.1593 5.1593 5.3170 5.3170 5.3714 5.3714 5.5923 5.5923 5.6446 5.6446 5.8006 5.8006 7.2392 7.2392 8.0525 8.0525 8.0676 8.0676 8.5095 8.5095 9.5474 9.5474 9.8563 9.8563 11.7986 11.7986 12.5332 12.5332 12.7374 12.7374 k = 0.4855 0.3138-0.0000 ( 5628 PWs) bands (ev): -18.5572 -18.5572 -18.5476 -18.5476 -5.3046 -5.3046 -5.2857 -5.2857 -3.4627 -3.4627 -3.4283 -3.4283 -3.2599 -3.2599 -3.1883 -3.1883 -0.1004 -0.1004 0.3042 0.3042 3.6697 3.6697 3.8833 3.8833 3.9108 3.9108 4.0732 4.0732 4.1854 4.1854 4.7187 4.7187 5.1603 5.1603 5.3145 5.3145 5.3745 5.3745 5.5923 5.5923 5.6471 5.6471 5.7986 5.7986 7.2397 7.2397 8.0147 8.0147 8.0699 8.0699 8.5077 8.5077 9.5575 9.5575 9.8898 9.8898 11.8033 11.8033 12.4601 12.4601 12.7533 12.7533 k = 0.4783 0.3263-0.0000 ( 5626 PWs) bands (ev): -18.5572 -18.5572 -18.5475 -18.5475 -5.3046 -5.3046 -5.2858 -5.2858 -3.4622 -3.4622 -3.4276 -3.4276 -3.2610 -3.2610 -3.1898 -3.1898 -0.0964 -0.0964 0.3036 0.3036 3.6696 3.6696 3.8829 3.8829 3.9042 3.9042 4.0846 4.0846 4.1877 4.1877 4.7119 4.7119 5.1619 5.1619 5.3109 5.3109 5.3793 5.3793 5.5925 5.5925 5.6511 5.6511 5.7954 5.7954 7.2404 7.2404 7.9545 7.9545 8.0743 8.0743 8.5049 8.5049 9.5731 9.5731 9.9434 9.9434 11.8108 11.8108 12.3665 12.3665 12.7798 12.7798 k = 0.4710 0.3389-0.0000 ( 5630 PWs) bands (ev): -18.5571 -18.5571 -18.5475 -18.5475 -5.3047 -5.3047 -5.2859 -5.2859 -3.4615 -3.4615 -3.4267 -3.4267 -3.2626 -3.2626 -3.1918 -3.1918 -0.0908 -0.0908 0.3027 0.3027 3.6695 3.6695 3.8823 3.8823 3.8958 3.8958 4.0994 4.0994 4.1909 4.1909 4.7029 4.7029 5.1639 5.1639 5.3065 5.3065 5.3853 5.3853 5.5930 5.5930 5.6564 5.6564 5.7910 5.7910 7.2411 7.2411 7.8765 7.8765 8.0807 8.0807 8.5010 8.5010 9.5931 9.5931 10.0137 10.0137 11.8211 11.8211 12.2642 12.2642 12.8165 12.8165 k = 0.4638 0.3514-0.0000 ( 5624 PWs) bands (ev): -18.5571 -18.5571 -18.5474 -18.5474 -5.3047 -5.3047 -5.2860 -5.2860 -3.4606 -3.4606 -3.4255 -3.4255 -3.2645 -3.2645 -3.1943 -3.1943 -0.0837 -0.0837 0.3015 0.3015 3.6695 3.6695 3.8816 3.8816 3.8862 3.8862 4.1169 4.1169 4.1950 4.1950 4.6917 4.6917 5.1663 5.1663 5.3018 5.3018 5.3923 5.3923 5.5940 5.5940 5.6628 5.6628 5.7855 5.7855 7.2415 7.2415 7.7850 7.7850 8.0888 8.0888 8.4962 8.4962 9.6172 9.6172 10.0970 10.0970 11.8337 11.8337 12.1584 12.1584 12.8634 12.8634 k = 0.4565 0.3640-0.0000 ( 5624 PWs) bands (ev): -18.5570 -18.5570 -18.5473 -18.5473 -5.3048 -5.3048 -5.2862 -5.2862 -3.4595 -3.4595 -3.4240 -3.4240 -3.2669 -3.2669 -3.1972 -3.1972 -0.0751 -0.0751 0.2999 0.2999 3.6696 3.6696 3.8757 3.8757 3.8808 3.8808 4.1365 4.1365 4.2002 4.2002 4.6787 4.6787 5.1686 5.1686 5.2969 5.2969 5.4002 5.4002 5.5956 5.5956 5.6702 5.6702 5.7792 5.7792 7.2411 7.2411 7.6840 7.6840 8.0985 8.0985 8.4906 8.4906 9.6450 9.6450 10.1899 10.1899 11.8479 11.8479 12.0518 12.0518 12.9199 12.9199 k = 0.4493 0.3765-0.0000 ( 5632 PWs) bands (ev): -18.5569 -18.5569 -18.5473 -18.5473 -5.3049 -5.3049 -5.2865 -5.2865 -3.4583 -3.4583 -3.4224 -3.4224 -3.2696 -3.2696 -3.2005 -3.2005 -0.0652 -0.0652 0.2980 0.2980 3.6700 3.6700 3.8646 3.8646 3.8800 3.8800 4.1575 4.1575 4.2067 4.2067 4.6643 4.6643 5.1709 5.1709 5.2919 5.2919 5.4090 5.4090 5.5979 5.5979 5.6785 5.6785 5.7722 5.7722 7.2391 7.2391 7.5771 7.5771 8.1099 8.1099 8.4842 8.4842 9.6765 9.6765 10.2894 10.2894 11.8615 11.8615 11.9476 11.9476 12.9853 12.9853 k = 0.4420 0.3891-0.0000 ( 5638 PWs) bands (ev): -18.5568 -18.5568 -18.5472 -18.5472 -5.3050 -5.3050 -5.2867 -5.2867 -3.4569 -3.4569 -3.4205 -3.4205 -3.2727 -3.2727 -3.2042 -3.2042 -0.0540 -0.0540 0.2957 0.2957 3.6706 3.6706 3.8531 3.8531 3.8790 3.8790 4.1784 4.1784 4.2154 4.2154 4.6489 4.6489 5.1729 5.1729 5.2870 5.2870 5.4186 5.4186 5.6007 5.6007 5.6875 5.6875 5.7648 5.7648 7.2337 7.2337 7.4683 7.4683 8.1227 8.1227 8.4771 8.4771 9.7117 9.7117 10.3932 10.3932 11.8289 11.8289 11.8913 11.8913 13.0581 13.0581 k = 0.4348 0.4016-0.0000 ( 5624 PWs) bands (ev): -18.5567 -18.5567 -18.5471 -18.5471 -5.3051 -5.3051 -5.2870 -5.2870 -3.4555 -3.4555 -3.4184 -3.4184 -3.2760 -3.2760 -3.2082 -3.2082 -0.0416 -0.0416 0.2930 0.2930 3.6715 3.6715 3.8413 3.8413 3.8779 3.8779 4.1969 4.1969 4.2284 4.2284 4.6326 4.6326 5.1745 5.1745 5.2822 5.2822 5.4293 5.4293 5.6041 5.6041 5.6973 5.6973 5.7570 5.7570 7.2185 7.2185 7.3658 7.3658 8.1369 8.1369 8.4695 8.4695 9.7504 9.7504 10.4994 10.4994 11.7292 11.7292 11.9036 11.9036 13.1261 13.1261 k = 0.4275 0.4142-0.0000 ( 5620 PWs) bands (ev): -18.5565 -18.5565 -18.5470 -18.5470 -5.3052 -5.3052 -5.2874 -5.2874 -3.4540 -3.4540 -3.4161 -3.4161 -3.2795 -3.2795 -3.2123 -3.2123 -0.0280 -0.0280 0.2898 0.2898 3.6727 3.6727 3.8295 3.8295 3.8766 3.8766 4.2107 4.2107 4.2476 4.2476 4.6159 4.6159 5.1756 5.1756 5.2775 5.2775 5.4410 5.4410 5.6081 5.6081 5.7077 5.7077 5.7492 5.7492 7.1700 7.1700 7.2943 7.2943 8.1523 8.1523 8.4615 8.4615 9.7925 9.7925 10.6068 10.6068 11.6276 11.6276 11.9189 11.9189 13.1149 13.1149 k = 0.4203 0.4267-0.0000 ( 5622 PWs) bands (ev): -18.5564 -18.5564 -18.5468 -18.5468 -5.3053 -5.3053 -5.2877 -5.2877 -3.4524 -3.4524 -3.4137 -3.4137 -3.2833 -3.2833 -3.2166 -3.2166 -0.0136 -0.0136 0.2861 0.2861 3.6744 3.6744 3.8177 3.8177 3.8751 3.8751 4.2211 4.2211 4.2711 4.2711 4.5991 4.5991 5.1761 5.1761 5.2730 5.2730 5.4540 5.4540 5.6123 5.6123 5.7186 5.7186 5.7416 5.7416 7.0767 7.0767 7.2666 7.2666 8.1687 8.1687 8.4532 8.4532 9.8379 9.8379 10.7142 10.7142 11.5278 11.5278 11.9327 11.9327 13.0866 13.0866 k = 0.4130 0.4393-0.0000 ( 5622 PWs) bands (ev): -18.5563 -18.5563 -18.5467 -18.5467 -5.3054 -5.3054 -5.2881 -5.2881 -3.4509 -3.4509 -3.4112 -3.4112 -3.2871 -3.2871 -3.2209 -3.2209 0.0017 0.0017 0.2818 0.2818 3.6765 3.6765 3.8063 3.8063 3.8734 3.8734 4.2302 4.2302 4.2963 4.2963 4.5825 4.5825 5.1762 5.1762 5.2687 5.2687 5.4683 5.4683 5.6168 5.6168 5.7288 5.7288 5.7357 5.7357 6.9678 6.9678 7.2545 7.2545 8.1860 8.1860 8.4448 8.4448 9.8863 9.8863 10.8205 10.8205 11.4311 11.4311 11.9436 11.9436 13.0635 13.0635 k = 0.4058 0.4518-0.0000 ( 5616 PWs) bands (ev): -18.5562 -18.5562 -18.5466 -18.5466 -5.3056 -5.3056 -5.2884 -5.2884 -3.4494 -3.4494 -3.4085 -3.4085 -3.2911 -3.2911 -3.2251 -3.2251 0.0177 0.0177 0.2770 0.2770 3.6789 3.6789 3.7954 3.7954 3.8712 3.8712 4.2390 4.2390 4.3217 4.3217 4.5663 4.5663 5.1757 5.1757 5.2645 5.2645 5.4841 5.4841 5.6213 5.6213 5.7261 5.7261 5.7439 5.7439 6.8564 6.8564 7.2457 7.2457 8.2040 8.2040 8.4363 8.4363 9.9374 9.9374 10.9238 10.9238 11.3390 11.3390 11.9505 11.9505 13.0364 13.0364 k = 0.3986 0.4644-0.0000 ( 5618 PWs) bands (ev): -18.5560 -18.5560 -18.5465 -18.5465 -5.3057 -5.3057 -5.2888 -5.2888 -3.4480 -3.4480 -3.4058 -3.4058 -3.2950 -3.2950 -3.2292 -3.2292 0.0342 0.0342 0.2715 0.2715 3.6817 3.6817 3.7852 3.7852 3.8687 3.8687 4.2477 4.2477 4.3465 4.3465 4.5509 4.5509 5.1747 5.1747 5.2604 5.2604 5.5012 5.5012 5.6257 5.6257 5.7203 5.7203 5.7568 5.7568 6.7461 6.7461 7.2376 7.2376 8.2223 8.2223 8.4279 8.4279 9.9909 9.9909 11.0185 11.0185 11.2571 11.2571 11.9527 11.9527 12.9799 12.9799 k = 0.3913 0.4769-0.0000 ( 5612 PWs) bands (ev): -18.5559 -18.5559 -18.5464 -18.5464 -5.3058 -5.3058 -5.2892 -5.2892 -3.4467 -3.4467 -3.4031 -3.4031 -3.2989 -3.2989 -3.2331 -3.2331 0.0509 0.0509 0.2655 0.2655 3.6847 3.6847 3.7761 3.7761 3.8657 3.8657 4.2564 4.2564 4.3699 4.3699 4.5365 4.5365 5.1735 5.1735 5.2565 5.2565 5.5195 5.5195 5.6298 5.6298 5.7153 5.7153 5.7708 5.7708 6.6387 6.6387 7.2294 7.2294 8.2407 8.2407 8.4198 8.4198 10.0465 10.0465 11.0706 11.0706 11.2189 11.2189 11.9502 11.9502 12.9100 12.9100 k = 0.3841 0.4895-0.0000 ( 5608 PWs) bands (ev): -18.5558 -18.5558 -18.5463 -18.5463 -5.3060 -5.3060 -5.2896 -5.2896 -3.4455 -3.4455 -3.4004 -3.4004 -3.3027 -3.3027 -3.2367 -3.2367 0.0678 0.0678 0.2589 0.2589 3.6879 3.6879 3.7684 3.7684 3.8622 3.8622 4.2650 4.2650 4.3910 4.3910 4.5236 4.5236 5.1721 5.1721 5.2528 5.2528 5.5386 5.5386 5.6338 5.6338 5.7115 5.7115 5.7860 5.7860 6.5352 6.5352 7.2210 7.2210 8.2588 8.2588 8.4120 8.4120 10.1039 10.1039 11.0276 11.0276 11.2764 11.2764 11.9431 11.9431 12.8385 12.8385 k = 0.3768 0.5020-0.0000 ( 5610 PWs) bands (ev): -18.5557 -18.5557 -18.5462 -18.5462 -5.3061 -5.3061 -5.2900 -5.2900 -3.4445 -3.4445 -3.3979 -3.3979 -3.3062 -3.3062 -3.2400 -3.2400 0.0844 0.0844 0.2517 0.2517 3.6909 3.6909 3.7623 3.7623 3.8583 3.8583 4.2735 4.2735 4.4091 4.4091 4.5128 4.5128 5.1706 5.1706 5.2492 5.2492 5.5576 5.5576 5.6377 5.6377 5.7093 5.7093 5.8028 5.8028 6.4364 6.4364 7.2125 7.2125 8.2763 8.2763 8.4048 8.4048 10.1627 10.1627 10.9533 10.9533 11.3653 11.3653 11.9323 11.9323 12.7684 12.7684 k = 0.3696 0.5146-0.0000 ( 5605 PWs) bands (ev): -18.5556 -18.5556 -18.5461 -18.5461 -5.3062 -5.3062 -5.2903 -5.2903 -3.4437 -3.4437 -3.3955 -3.3955 -3.3094 -3.3094 -3.2428 -3.2428 0.1006 0.1006 0.2440 0.2440 3.6935 3.6935 3.7582 3.7582 3.8538 3.8538 4.2817 4.2817 4.4230 4.4230 4.5047 4.5047 5.1691 5.1691 5.2458 5.2458 5.5752 5.5752 5.6419 5.6419 5.7088 5.7088 5.8217 5.8217 6.3431 6.3431 7.2041 7.2041 8.2925 8.2925 8.3983 8.3983 10.2225 10.2225 10.8756 10.8756 11.4559 11.4559 11.9190 11.9190 12.7014 12.7014 k = 0.3623 0.5271-0.0000 ( 5603 PWs) bands (ev): -18.5555 -18.5555 -18.5460 -18.5460 -5.3063 -5.3063 -5.2906 -5.2906 -3.4431 -3.4431 -3.3933 -3.3933 -3.3122 -3.3122 -3.2451 -3.2451 0.1160 0.1160 0.2361 0.2361 3.6955 3.6955 3.7562 3.7562 3.8489 3.8489 4.2892 4.2892 4.4319 4.4319 4.5000 4.5000 5.1678 5.1678 5.2428 5.2428 5.5897 5.5897 5.6471 5.6471 5.7101 5.7101 5.8438 5.8438 6.2561 6.2561 7.1963 7.1963 8.3070 8.3070 8.3929 8.3929 10.2830 10.2830 10.7995 10.7995 11.5412 11.5412 11.9050 11.9050 12.6395 12.6395 k = 0.3551 0.5397-0.0000 ( 5603 PWs) bands (ev): -18.5554 -18.5554 -18.5459 -18.5459 -5.3064 -5.3064 -5.2909 -5.2909 -3.4427 -3.4427 -3.3915 -3.3915 -3.3146 -3.3146 -3.2470 -3.2470 0.1300 0.1300 0.2283 0.2283 3.6967 3.6967 3.7564 3.7564 3.8438 3.8438 4.2959 4.2959 4.4358 4.4358 4.4989 4.4989 5.1667 5.1667 5.2402 5.2402 5.5995 5.5995 5.6532 5.6532 5.7131 5.7131 5.8702 5.8702 6.1762 6.1762 7.1895 7.1895 8.3190 8.3190 8.3887 8.3887 10.3439 10.3439 10.7260 10.7260 11.6160 11.6160 11.8926 11.8926 12.5852 12.5852 k = 0.3478 0.5522-0.0000 ( 5611 PWs) bands (ev): -18.5554 -18.5554 -18.5459 -18.5459 -5.3065 -5.3065 -5.2911 -5.2911 -3.4424 -3.4424 -3.3902 -3.3902 -3.3163 -3.3163 -3.2483 -3.2483 0.1417 0.1417 0.2211 0.2211 3.6973 3.6973 3.7581 3.7581 3.8391 3.8391 4.3013 4.3013 4.4363 4.4363 4.4999 4.4999 5.1658 5.1658 5.2382 5.2382 5.6049 5.6049 5.6593 5.6593 5.7170 5.7170 5.9021 5.9021 6.1041 6.1041 7.1840 7.1840 8.3278 8.3278 8.3861 8.3861 10.4049 10.4049 10.6559 10.6559 11.6734 11.6734 11.8852 11.8852 12.5419 12.5419 k = 0.3406 0.5648-0.0000 ( 5599 PWs) bands (ev): -18.5553 -18.5553 -18.5459 -18.5459 -5.3065 -5.3065 -5.2912 -5.2912 -3.4423 -3.4423 -3.3893 -3.3893 -3.3174 -3.3174 -3.2490 -3.2490 0.1499 0.1499 0.2158 0.2158 3.6976 3.6976 3.7601 3.7601 3.8353 3.8353 4.3049 4.3049 4.4355 4.4355 4.5012 4.5012 5.1652 5.1652 5.2369 5.2369 5.6072 5.6072 5.6636 5.6636 5.7203 5.7203 5.9402 5.9402 6.0410 6.0410 7.1804 7.1804 8.3328 8.3328 8.3852 8.3852 10.4658 10.4658 10.5895 10.5895 11.7068 11.7068 11.8850 11.8850 12.5137 12.5137 k = 0.3333 0.5774-0.0000 ( 5589 PWs) bands (ev): -18.5553 -18.5553 -18.5458 -18.5458 -5.3065 -5.3065 -5.2913 -5.2913 -3.4422 -3.4422 -3.3890 -3.3890 -3.3177 -3.3177 -3.2493 -3.2493 0.1528 0.1528 0.2139 0.2139 3.6976 3.6976 3.7612 3.7612 3.8338 3.8338 4.3061 4.3061 4.4350 4.4350 4.5017 4.5017 5.1651 5.1651 5.2364 5.2364 5.6078 5.6078 5.6652 5.6652 5.7217 5.7217 5.9773 5.9773 5.9954 5.9954 7.1791 7.1791 8.3343 8.3343 8.3852 8.3852 10.5217 10.5217 10.5317 10.5317 11.7162 11.7162 11.8873 11.8873 12.5041 12.5041 k = 0.3333 0.5774-0.0000 ( 5589 PWs) bands (ev): -18.5553 -18.5553 -18.5458 -18.5458 -5.3065 -5.3065 -5.2913 -5.2913 -3.4422 -3.4422 -3.3890 -3.3890 -3.3177 -3.3177 -3.2493 -3.2493 0.1528 0.1528 0.2139 0.2139 3.6976 3.6976 3.7612 3.7612 3.8338 3.8338 4.3061 4.3061 4.4350 4.4350 4.5017 4.5017 5.1651 5.1651 5.2364 5.2364 5.6078 5.6078 5.6652 5.6652 5.7217 5.7217 5.9773 5.9773 5.9954 5.9954 7.1791 7.1791 8.3343 8.3343 8.3852 8.3852 10.5217 10.5217 10.5317 10.5317 11.7162 11.7162 11.8873 11.8873 12.5041 12.5041 k = 0.3259 0.5645-0.0000 ( 5599 PWs) bands (ev): -18.5553 -18.5553 -18.5459 -18.5459 -5.3065 -5.3065 -5.2912 -5.2912 -3.4422 -3.4422 -3.3893 -3.3893 -3.3174 -3.3174 -3.2490 -3.2490 0.1499 0.1499 0.2157 0.2157 3.6975 3.6975 3.7597 3.7597 3.8358 3.8358 4.3047 4.3047 4.4357 4.4357 4.5012 4.5012 5.1653 5.1653 5.2369 5.2369 5.6074 5.6074 5.6632 5.6632 5.7203 5.7203 5.9413 5.9413 6.0403 6.0403 7.1806 7.1806 8.3331 8.3331 8.3847 8.3847 10.4668 10.4668 10.5887 10.5887 11.7096 11.7096 11.8818 11.8818 12.5130 12.5130 k = 0.3185 0.5517-0.0000 ( 5601 PWs) bands (ev): -18.5554 -18.5554 -18.5459 -18.5459 -5.3065 -5.3065 -5.2910 -5.2910 -3.4422 -3.4422 -3.3902 -3.3902 -3.3163 -3.3163 -3.2483 -3.2483 0.1424 0.1424 0.2198 0.2198 3.6971 3.6971 3.7552 3.7552 3.8418 3.8418 4.3003 4.3003 4.4377 4.4377 4.4999 4.4999 5.1658 5.1658 5.2388 5.2388 5.6064 5.6064 5.6565 5.6565 5.7172 5.7172 5.9085 5.9085 6.0994 6.0994 7.1854 7.1854 8.3299 8.3299 8.3823 8.3823 10.4117 10.4117 10.6501 10.6501 11.6943 11.6943 11.8634 11.8634 12.5335 12.5335 k = 0.3111 0.5389-0.0000 ( 5609 PWs) bands (ev): -18.5554 -18.5554 -18.5460 -18.5460 -5.3064 -5.3064 -5.2907 -5.2907 -3.4422 -3.4422 -3.3916 -3.3916 -3.3145 -3.3145 -3.2471 -3.2471 0.1321 0.1321 0.2242 0.2242 3.6956 3.6956 3.7487 3.7487 3.8515 3.8515 4.2930 4.2930 4.4409 4.4409 4.4984 4.4984 5.1667 5.1667 5.2421 5.2421 5.6049 5.6049 5.6448 5.6448 5.7142 5.7142 5.8851 5.8851 6.1645 6.1645 7.1938 7.1938 8.3251 8.3251 8.3773 8.3773 10.3613 10.3613 10.7115 10.7115 11.6742 11.6742 11.8343 11.8343 12.5534 12.5534 k = 0.3037 0.5260-0.0000 ( 5605 PWs) bands (ev): -18.5555 -18.5555 -18.5460 -18.5460 -5.3062 -5.3062 -5.2903 -5.2903 -3.4420 -3.4420 -3.3934 -3.3934 -3.3122 -3.3122 -3.2455 -3.2455 0.1203 0.1203 0.2276 0.2276 3.6921 3.6921 3.7417 3.7417 3.8638 3.8638 4.2832 4.2832 4.4447 4.4447 4.4975 4.4975 5.1678 5.1678 5.2471 5.2471 5.6023 5.6023 5.6302 5.6302 5.7124 5.7124 5.8692 5.8692 6.2348 6.2348 7.2062 7.2062 8.3185 8.3185 8.3693 8.3693 10.3159 10.3159 10.7730 10.7730 11.6502 11.6502 11.7997 11.7997 12.5597 12.5597 k = 0.2963 0.5132-0.0000 ( 5601 PWs) bands (ev): -18.5557 -18.5557 -18.5462 -18.5462 -5.3061 -5.3061 -5.2897 -5.2897 -3.4416 -3.4416 -3.3955 -3.3955 -3.3094 -3.3094 -3.2436 -3.2436 0.1076 0.1076 0.2292 0.2292 3.6854 3.6854 3.7362 3.7362 3.8781 3.8781 4.2711 4.2711 4.4488 4.4488 4.4976 4.4976 5.1691 5.1691 5.2537 5.2537 5.5961 5.5961 5.6181 5.6181 5.7121 5.7121 5.8585 5.8585 6.3097 6.3097 7.2227 7.2227 8.3089 8.3089 8.3590 8.3590 10.2756 10.2756 10.8349 10.8349 11.6216 11.6216 11.7647 11.7647 12.5439 12.5439 k = 0.2889 0.5004-0.0000 ( 5593 PWs) bands (ev): -18.5558 -18.5558 -18.5463 -18.5463 -5.3058 -5.3058 -5.2889 -5.2889 -3.4410 -3.4410 -3.3980 -3.3980 -3.3063 -3.3063 -3.2413 -3.2413 0.0945 0.0945 0.2285 0.2285 3.6749 3.6749 3.7328 3.7328 3.8936 3.8936 4.2572 4.2572 4.4529 4.4529 4.4989 4.4989 5.1703 5.1703 5.2620 5.2620 5.5844 5.5844 5.6128 5.6128 5.7129 5.7129 5.8515 5.8515 6.3886 6.3886 7.2435 7.2435 8.2946 8.2946 8.3480 8.3480 10.2406 10.2406 10.8974 10.8974 11.5874 11.5874 11.7339 11.7339 12.5054 12.5054 k = 0.2815 0.4875-0.0000 ( 5599 PWs) bands (ev): -18.5560 -18.5560 -18.5465 -18.5465 -5.3056 -5.3056 -5.2880 -5.2880 -3.4401 -3.4401 -3.4006 -3.4006 -3.3028 -3.3028 -3.2389 -3.2389 0.0812 0.0812 0.2252 0.2252 3.6615 3.6615 3.7312 3.7312 3.9099 3.9099 4.2422 4.2422 4.4571 4.4571 4.5014 4.5014 5.1715 5.1715 5.2716 5.2716 5.5718 5.5718 5.6116 5.6116 5.7148 5.7148 5.8473 5.8473 6.4712 6.4712 7.2687 7.2687 8.2735 8.2735 8.3381 8.3381 10.2112 10.2112 10.9609 10.9609 11.5473 11.5473 11.7093 11.7093 12.4489 12.4489 k = 0.2741 0.4747-0.0000 ( 5611 PWs) bands (ev): -18.5563 -18.5563 -18.5467 -18.5467 -5.3052 -5.3052 -5.2868 -5.2868 -3.4388 -3.4388 -3.4033 -3.4033 -3.2990 -3.2990 -3.2362 -3.2362 0.0679 0.0679 0.2190 0.2190 3.6461 3.6461 3.7303 3.7303 3.9266 3.9266 4.2266 4.2266 4.4615 4.4615 4.5046 4.5046 5.1725 5.1725 5.2821 5.2821 5.5618 5.5618 5.6123 5.6123 5.7181 5.7181 5.8456 5.8456 6.5570 6.5570 7.2983 7.2983 8.2451 8.2451 8.3297 8.3297 10.1874 10.1874 11.0254 11.0254 11.5026 11.5026 11.6912 11.6912 12.3801 12.3801 k = 0.2667 0.4619-0.0000 ( 5613 PWs) bands (ev): -18.5565 -18.5565 -18.5469 -18.5469 -5.3049 -5.3049 -5.2855 -5.2855 -3.4373 -3.4373 -3.4061 -3.4061 -3.2950 -3.2950 -3.2334 -3.2334 0.0548 0.0548 0.2099 0.2099 3.6296 3.6296 3.7295 3.7295 3.9433 3.9433 4.2108 4.2108 4.4660 4.4660 4.5083 4.5083 5.1732 5.1732 5.2924 5.2924 5.5558 5.5558 5.6144 5.6144 5.7233 5.7233 5.8466 5.8466 6.6456 6.6456 7.3324 7.3324 8.2098 8.2098 8.3225 8.3225 10.1694 10.1694 11.0909 11.0909 11.4555 11.4555 11.6787 11.6787 12.3037 12.3038 k = 0.2593 0.4491-0.0000 ( 5613 PWs) bands (ev): -18.5568 -18.5568 -18.5472 -18.5472 -5.3045 -5.3045 -5.2840 -5.2840 -3.4355 -3.4355 -3.4089 -3.4089 -3.2908 -3.2908 -3.2304 -3.2304 0.0421 0.0421 0.1978 0.1978 3.6128 3.6128 3.7281 3.7281 3.9597 3.9597 4.1954 4.1954 4.4704 4.4704 4.5123 4.5123 5.1737 5.1737 5.3018 5.3018 5.5541 5.5541 5.6178 5.6178 5.7313 5.7313 5.8506 5.8506 6.7366 6.7366 7.3708 7.3708 8.1682 8.1682 8.3159 8.3159 10.1572 10.1572 11.1566 11.1566 11.4080 11.4080 11.6709 11.6709 12.2231 12.2231 k = 0.2519 0.4362-0.0000 ( 5625 PWs) bands (ev): -18.5572 -18.5572 -18.5475 -18.5475 -5.3040 -5.3040 -5.2822 -5.2822 -3.4336 -3.4336 -3.4114 -3.4114 -3.2864 -3.2864 -3.2274 -3.2274 0.0297 0.0297 0.1825 0.1825 3.5960 3.5960 3.7259 3.7259 3.9755 3.9755 4.1807 4.1807 4.4743 4.4743 4.5167 4.5167 5.1740 5.1740 5.3094 5.3094 5.5561 5.5561 5.6228 5.6228 5.7437 5.7437 5.8581 5.8581 6.8296 6.8296 7.4135 7.4135 8.1210 8.1210 8.3095 8.3095 10.1510 10.1510 11.2194 11.2194 11.3643 11.3643 11.6675 11.6675 12.1405 12.1405 k = 0.2444 0.4234-0.0000 ( 5641 PWs) bands (ev): -18.5575 -18.5575 -18.5478 -18.5478 -5.3035 -5.3035 -5.2803 -5.2803 -3.4319 -3.4319 -3.4133 -3.4133 -3.2818 -3.2818 -3.2244 -3.2244 0.0180 0.0180 0.1642 0.1642 3.5797 3.5797 3.7225 3.7225 3.9905 3.9905 4.1671 4.1671 4.4771 4.4771 4.5215 4.5215 5.1742 5.1742 5.3147 5.3147 5.5605 5.5605 5.6291 5.6291 5.7625 5.7625 5.8696 5.8696 6.9242 6.9242 7.4604 7.4604 8.0686 8.0686 8.3032 8.3032 10.1506 10.1506 11.2587 11.2587 11.3449 11.3449 11.6682 11.6682 12.0575 12.0575 k = 0.2370 0.4106-0.0000 ( 5637 PWs) bands (ev): -18.5580 -18.5580 -18.5482 -18.5482 -5.3030 -5.3030 -5.2781 -5.2781 -3.4313 -3.4313 -3.4137 -3.4137 -3.2770 -3.2770 -3.2214 -3.2214 0.0068 0.0068 0.1429 0.1429 3.5642 3.5642 3.7177 3.7177 4.0045 4.0045 4.1548 4.1548 4.4783 4.4783 4.5268 4.5268 5.1744 5.1744 5.3177 5.3177 5.5654 5.5654 5.6363 5.6363 5.7898 5.7898 5.8859 5.8859 7.0200 7.0200 7.5115 7.5115 8.0117 8.0117 8.2970 8.2970 10.1562 10.1562 11.2370 11.2370 11.3866 11.3866 11.6733 11.6733 11.9757 11.9757 k = 0.2296 0.3977-0.0000 ( 5641 PWs) bands (ev): -18.5584 -18.5584 -18.5486 -18.5486 -5.3025 -5.3025 -5.2758 -5.2758 -3.4322 -3.4322 -3.4121 -3.4121 -3.2720 -3.2720 -3.2183 -3.2183 -0.0037 -0.0037 0.1187 0.1187 3.5496 3.5496 3.7114 3.7114 4.0175 4.0175 4.1439 4.1439 4.4780 4.4780 4.5320 4.5320 5.1749 5.1749 5.3190 5.3190 5.5697 5.5697 5.6435 5.6435 5.8269 5.8269 5.9077 5.9077 7.1166 7.1166 7.5666 7.5666 7.9506 7.9506 8.2909 8.2909 10.1676 10.1676 11.1944 11.1944 11.4468 11.4468 11.6832 11.6832 11.8974 11.8974 k = 0.2222 0.3849-0.0000 ( 5639 PWs) bands (ev): -18.5589 -18.5589 -18.5490 -18.5490 -5.3019 -5.3019 -5.2732 -5.2732 -3.4346 -3.4346 -3.4086 -3.4086 -3.2669 -3.2669 -3.2154 -3.2154 -0.0134 -0.0134 0.0918 0.0918 3.5361 3.5361 3.7035 3.7035 4.0293 4.0293 4.1345 4.1345 4.4761 4.4761 4.5367 4.5367 5.1758 5.1758 5.3190 5.3190 5.5726 5.5726 5.6502 5.6502 5.8739 5.8739 5.9356 5.9356 7.2136 7.2136 7.6255 7.6255 7.8860 7.8860 8.2851 8.2851 10.1847 10.1847 11.1491 11.1491 11.5032 11.5032 11.6957 11.6957 11.8293 11.8293 k = 0.2148 0.3721-0.0000 ( 5639 PWs) bands (ev): -18.5594 -18.5594 -18.5494 -18.5494 -5.3014 -5.3014 -5.2705 -5.2705 -3.4380 -3.4380 -3.4038 -3.4038 -3.2615 -3.2615 -3.2125 -3.2125 -0.0225 -0.0225 0.0625 0.0625 3.5238 3.5238 3.6940 3.6940 4.0401 4.0401 4.1266 4.1266 4.4729 4.4729 4.5403 4.5403 5.1774 5.1774 5.3181 5.3181 5.5741 5.5741 5.6565 5.6565 5.9297 5.9297 5.9709 5.9709 7.3103 7.3103 7.6874 7.6874 7.8191 7.8191 8.2797 8.2797 10.2073 10.2073 11.1036 11.1036 11.5459 11.5459 11.6898 11.6898 11.7995 11.7995 k = 0.2074 0.3592-0.0000 ( 5631 PWs) bands (ev): -18.5599 -18.5599 -18.5499 -18.5499 -5.3008 -5.3008 -5.2676 -5.2676 -3.4418 -3.4418 -3.3980 -3.3980 -3.2560 -3.2560 -3.2097 -3.2097 -0.0311 -0.0311 0.0312 0.0312 3.5128 3.5128 3.6830 3.6830 4.0499 4.0499 4.1201 4.1201 4.4686 4.4686 4.5422 4.5422 5.1800 5.1800 5.3167 5.3167 5.5742 5.5742 5.6624 5.6624 5.9901 5.9901 6.0173 6.0173 7.4061 7.4061 7.7333 7.7333 7.7696 7.7696 8.2751 8.2751 10.2353 10.2353 11.0587 11.0587 11.5611 11.5611 11.6545 11.6545 11.8316 11.8316 k = 0.2000 0.3464-0.0000 ( 5625 PWs) bands (ev): -18.5604 -18.5604 -18.5504 -18.5504 -5.3002 -5.3002 -5.2645 -5.2645 -3.4460 -3.4460 -3.3914 -3.3914 -3.2503 -3.2503 -3.2070 -3.2070 -0.0401 -0.0401 -0.0009 -0.0009 3.5030 3.5030 3.6705 3.6705 4.0587 4.0587 4.1149 4.1149 4.4635 4.4635 4.5421 4.5421 5.1836 5.1836 5.3150 5.3150 5.5730 5.5730 5.6681 5.6681 6.0471 6.0471 6.0819 6.0819 7.4990 7.4990 7.6736 7.6736 7.8287 7.8287 8.2716 8.2716 10.2684 10.2684 11.0144 11.0144 11.5275 11.5275 11.6436 11.6436 11.8918 11.8918 k = 0.1926 0.3336-0.0000 ( 5629 PWs) bands (ev): -18.5610 -18.5610 -18.5509 -18.5509 -5.2996 -5.2996 -5.2612 -5.2612 -3.4505 -3.4505 -3.3841 -3.3841 -3.2443 -3.2443 -3.2044 -3.2044 -0.0550 -0.0550 -0.0283 -0.0283 3.4944 3.4944 3.6567 3.6567 4.0667 4.0667 4.1108 4.1108 4.4579 4.4579 4.5398 4.5398 5.1883 5.1883 5.3133 5.3133 5.5707 5.5707 5.6737 5.6737 6.1042 6.1042 6.1608 6.1608 7.5628 7.5628 7.6298 7.6298 7.9005 7.9005 8.2699 8.2699 10.3064 10.3064 10.9709 10.9709 11.4672 11.4672 11.6512 11.6512 11.9625 11.9625 k = 0.1852 0.3208-0.0000 ( 5641 PWs) bands (ev): -18.5616 -18.5616 -18.5514 -18.5514 -5.2991 -5.2991 -5.2578 -5.2578 -3.4552 -3.4552 -3.3761 -3.3761 -3.2383 -3.2383 -3.2019 -3.2019 -0.0849 -0.0849 -0.0412 -0.0412 3.4871 3.4871 3.6417 3.6417 4.0741 4.0741 4.1078 4.1078 4.4518 4.4518 4.5351 4.5351 5.1941 5.1941 5.3116 5.3116 5.5673 5.5673 5.6794 5.6794 6.1664 6.1664 6.2481 6.2481 7.5086 7.5086 7.7006 7.7006 7.9743 7.9743 8.2711 8.2711 10.3489 10.3489 10.9280 10.9280 11.4025 11.4025 11.6599 11.6599 12.0368 12.0368 k = 0.1778 0.3079-0.0000 ( 5639 PWs) bands (ev): -18.5622 -18.5622 -18.5520 -18.5520 -5.2985 -5.2985 -5.2543 -5.2543 -3.4600 -3.4600 -3.3675 -3.3675 -3.2320 -3.2320 -3.1995 -3.1995 -0.1222 -0.1222 -0.0474 -0.0474 3.4808 3.4808 3.6258 3.6258 4.0808 4.0808 4.1057 4.1057 4.4455 4.4455 4.5283 4.5283 5.2009 5.2009 5.3101 5.3101 5.5632 5.5632 5.6852 5.6852 6.2349 6.2349 6.3420 6.3420 7.4327 7.4327 7.7904 7.7904 8.0470 8.0470 8.2773 8.2773 10.3955 10.3955 10.8859 10.8859 11.3388 11.3388 11.6657 11.6657 12.1103 12.1103 k = 0.1704 0.2951-0.0000 ( 5639 PWs) bands (ev): -18.5628 -18.5628 -18.5525 -18.5525 -5.2980 -5.2980 -5.2507 -5.2507 -3.4650 -3.4650 -3.3584 -3.3584 -3.2256 -3.2256 -3.1973 -3.1973 -0.1619 -0.1619 -0.0514 -0.0514 3.4755 3.4755 3.6090 3.6090 4.0867 4.0867 4.1046 4.1046 4.4392 4.4392 4.5194 4.5194 5.2087 5.2087 5.3088 5.3088 5.5583 5.5583 5.6910 5.6910 6.3098 6.3098 6.4420 6.4420 7.3540 7.3540 7.8809 7.8809 8.1131 8.1131 8.2937 8.2937 10.4457 10.4457 10.8449 10.8449 11.2776 11.2776 11.6667 11.6667 12.1790 12.1790 k = 0.1630 0.2823-0.0000 ( 5647 PWs) bands (ev): -18.5635 -18.5635 -18.5531 -18.5531 -5.2976 -5.2976 -5.2470 -5.2470 -3.4701 -3.4701 -3.3488 -3.3488 -3.2191 -3.2191 -3.1951 -3.1951 -0.2028 -0.2028 -0.0541 -0.0541 3.4710 3.4710 3.5916 3.5916 4.0914 4.0914 4.1049 4.1049 4.4330 4.4330 4.5088 4.5088 5.2173 5.2173 5.3077 5.3077 5.5528 5.5528 5.6968 5.6968 6.3908 6.3908 6.5474 6.5474 7.2742 7.2742 7.9708 7.9708 8.1633 8.1633 8.3289 8.3289 10.4982 10.4982 10.8056 10.8056 11.2196 11.2196 11.6610 11.6610 12.2381 12.2381 k = 0.1556 0.2694-0.0000 ( 5647 PWs) bands (ev): -18.5641 -18.5641 -18.5536 -18.5536 -5.2971 -5.2971 -5.2433 -5.2433 -3.4752 -3.4752 -3.3387 -3.3387 -3.2125 -3.2125 -3.1931 -3.1931 -0.2445 -0.2445 -0.0559 -0.0559 3.4674 3.4674 3.5738 3.5738 4.0940 4.0940 4.1075 4.1075 4.4270 4.4270 4.4968 4.4968 5.2267 5.2267 5.3069 5.3069 5.5469 5.5469 5.7027 5.7027 6.4778 6.4778 6.6579 6.6579 7.1942 7.1942 8.0599 8.0599 8.1929 8.1929 8.3867 8.3867 10.5504 10.5504 10.7704 10.7704 11.1652 11.1652 11.6464 11.6464 12.2818 12.2818 k = 0.1481 0.2566-0.0000 ( 5645 PWs) bands (ev): -18.5647 -18.5647 -18.5542 -18.5542 -5.2968 -5.2968 -5.2395 -5.2395 -3.4803 -3.4803 -3.3282 -3.3282 -3.2059 -3.2059 -3.1910 -3.1910 -0.2865 -0.2865 -0.0568 -0.0568 3.4643 3.4643 3.5557 3.5557 4.0945 4.0945 4.1122 4.1122 4.4212 4.4212 4.4837 4.4837 5.2366 5.2366 5.3063 5.3063 5.5406 5.5406 5.7085 5.7085 6.5702 6.5702 6.7730 6.7730 7.1145 7.1145 8.1482 8.1482 8.2094 8.2094 8.4592 8.4592 10.5941 10.5941 10.7473 10.7473 11.1145 11.1145 11.6205 11.6205 12.3048 12.3048 k = 0.1407 0.2438-0.0000 ( 5633 PWs) bands (ev): -18.5654 -18.5654 -18.5548 -18.5548 -5.2964 -5.2964 -5.2357 -5.2357 -3.4854 -3.4854 -3.3174 -3.3174 -3.1995 -3.1995 -3.1889 -3.1889 -0.3287 -0.3287 -0.0570 -0.0570 3.4618 3.4618 3.5375 3.5375 4.0940 4.0940 4.1180 4.1180 4.4157 4.4157 4.4698 4.4698 5.2471 5.2471 5.3061 5.3061 5.5341 5.5341 5.7143 5.7143 6.6677 6.6677 6.8915 6.8915 7.0364 7.0364 8.2197 8.2197 8.2365 8.2365 8.5382 8.5382 10.6087 10.6087 10.7566 10.7566 11.0672 11.0672 11.5814 11.5814 12.3062 12.3062 k = 0.1333 0.2309-0.0000 ( 5621 PWs) bands (ev): -18.5660 -18.5660 -18.5553 -18.5553 -5.2961 -5.2961 -5.2320 -5.2320 -3.4905 -3.4905 -3.3063 -3.3063 -3.1936 -3.1936 -3.1864 -3.1864 -0.3706 -0.3706 -0.0565 -0.0565 3.4596 3.4596 3.5195 3.5195 4.0930 4.0930 4.1243 4.1243 4.4105 4.4105 4.4556 4.4556 5.2579 5.2579 5.3062 5.3062 5.5273 5.5273 5.7200 5.7200 6.7696 6.7696 6.9499 6.9499 7.0240 7.0240 8.2293 8.2293 8.3225 8.3225 8.6195 8.6195 10.5898 10.5898 10.8028 10.8028 11.0232 11.0232 11.5279 11.5279 12.2900 12.2900 k = 0.1259 0.2181-0.0000 ( 5631 PWs) bands (ev): -18.5666 -18.5666 -18.5559 -18.5559 -5.2959 -5.2959 -5.2282 -5.2282 -3.4956 -3.4956 -3.2950 -3.2950 -3.1893 -3.1893 -3.1823 -3.1823 -0.4120 -0.4120 -0.0555 -0.0555 3.4576 3.4576 3.5020 3.5020 4.0918 4.0918 4.1308 4.1308 4.4054 4.4054 4.4415 4.4415 5.2689 5.2689 5.3069 5.3069 5.5205 5.5205 5.7256 5.7256 6.8582 6.8582 6.8943 6.8943 7.1482 7.1482 8.2382 8.2382 8.4075 8.4075 8.7012 8.7012 10.5571 10.5571 10.8656 10.8656 10.9821 10.9821 11.4600 11.4600 12.2624 12.2624 k = 0.1185 0.2053-0.0000 ( 5623 PWs) bands (ev): -18.5673 -18.5673 -18.5564 -18.5564 -5.2957 -5.2957 -5.2246 -5.2246 -3.5005 -3.5005 -3.2836 -3.2836 -3.1867 -3.1867 -3.1767 -3.1767 -0.4528 -0.4528 -0.0539 -0.0539 3.4553 3.4553 3.4853 3.4853 4.0903 4.0903 4.1376 4.1376 4.3998 4.3998 4.4283 4.4283 5.2796 5.2796 5.3085 5.3085 5.5137 5.5137 5.7311 5.7311 6.7958 6.7958 6.9919 6.9919 7.2797 7.2797 8.2476 8.2476 8.4903 8.4903 8.7826 8.7826 10.5207 10.5207 10.9347 10.9347 10.9438 10.9438 11.3787 11.3787 12.2284 12.2284 k = 0.1111 0.1925-0.0000 ( 5609 PWs) bands (ev): -18.5679 -18.5679 -18.5570 -18.5570 -5.2956 -5.2956 -5.2210 -5.2210 -3.5052 -3.5052 -3.2722 -3.2722 -3.1849 -3.1849 -3.1704 -3.1704 -0.4925 -0.4925 -0.0519 -0.0519 3.4514 3.4514 3.4709 3.4709 4.0887 4.0887 4.1444 4.1444 4.3925 4.3925 4.4173 4.4173 5.2889 5.2889 5.3121 5.3121 5.5069 5.5069 5.7364 5.7364 6.7213 6.7213 7.1066 7.1066 7.4149 7.4149 8.2578 8.2578 8.5700 8.5700 8.8636 8.8636 10.4837 10.4837 10.9071 10.9071 11.0059 11.0059 11.2872 11.2872 12.1913 12.1913 k = 0.1037 0.1796-0.0000 ( 5623 PWs) bands (ev): -18.5684 -18.5684 -18.5575 -18.5575 -5.2955 -5.2955 -5.2176 -5.2176 -3.5099 -3.5099 -3.2609 -3.2609 -3.1833 -3.1833 -3.1641 -3.1641 -0.5310 -0.5310 -0.0496 -0.0496 3.4425 3.4425 3.4623 3.4623 4.0869 4.0869 4.1513 4.1513 4.3824 4.3824 4.4100 4.4100 5.2949 5.2949 5.3196 5.3196 5.5003 5.5003 5.7417 5.7417 6.6479 6.6479 7.2255 7.2255 7.5533 7.5533 8.2688 8.2688 8.6454 8.6454 8.9448 8.9448 10.4473 10.4473 10.8722 10.8722 11.0681 11.0681 11.1964 11.1964 12.1532 12.1532 k = 0.0963 0.1668-0.0000 ( 5623 PWs) bands (ev): -18.5690 -18.5690 -18.5580 -18.5580 -5.2955 -5.2955 -5.2142 -5.2142 -3.5143 -3.5143 -3.2499 -3.2499 -3.1818 -3.1818 -3.1579 -3.1579 -0.5681 -0.5681 -0.0471 -0.0471 3.4291 3.4291 3.4590 3.4590 4.0850 4.0850 4.1583 4.1583 4.3702 4.3702 4.4058 4.4058 5.2979 5.2979 5.3307 5.3307 5.4938 5.4938 5.7467 5.7467 6.5763 6.5763 7.3480 7.3480 7.6944 7.6944 8.2808 8.2808 8.7153 8.7153 9.0267 9.0267 10.4122 10.4122 10.8378 10.8378 11.0400 11.0400 11.1891 11.1891 12.1155 12.1155 k = 0.0889 0.1540-0.0000 ( 5639 PWs) bands (ev): -18.5695 -18.5695 -18.5585 -18.5585 -5.2955 -5.2955 -5.2111 -5.2111 -3.5185 -3.5185 -3.2393 -3.2393 -3.1802 -3.1802 -3.1519 -3.1519 -0.6035 -0.6035 -0.0443 -0.0443 3.4149 3.4149 3.4575 3.4575 4.0830 4.0830 4.1652 4.1652 4.3571 4.3571 4.4034 4.4034 5.2993 5.2993 5.3440 5.3440 5.4876 5.4876 5.7517 5.7517 6.5069 6.5069 7.4737 7.4737 7.8377 7.8377 8.2937 8.2937 8.7784 8.7784 9.1101 9.1101 10.3786 10.3786 10.8014 10.8014 10.9337 10.9337 11.2565 11.2565 12.0790 12.0790 k = 0.0815 0.1411-0.0000 ( 5647 PWs) bands (ev): -18.5700 -18.5700 -18.5589 -18.5589 -5.2955 -5.2955 -5.2081 -5.2081 -3.5224 -3.5224 -3.2292 -3.2292 -3.1785 -3.1785 -3.1462 -3.1462 -0.6369 -0.6369 -0.0415 -0.0415 3.4010 3.4010 3.4565 3.4565 4.0809 4.0809 4.1720 4.1720 4.3440 4.3440 4.4021 4.4021 5.3000 5.3000 5.3585 5.3585 5.4818 5.4818 5.7565 5.7565 6.4398 6.4398 7.6023 7.6023 7.9821 7.9821 8.3081 8.3081 8.8341 8.8341 9.1951 9.1951 10.3467 10.3467 10.7493 10.7493 10.8300 10.8300 11.3317 11.3317 12.0443 12.0443 k = 0.0741 0.1283-0.0000 ( 5651 PWs) bands (ev): -18.5705 -18.5705 -18.5593 -18.5593 -5.2956 -5.2956 -5.2053 -5.2053 -3.5261 -3.5261 -3.2200 -3.2200 -3.1765 -3.1765 -3.1407 -3.1407 -0.6683 -0.6683 -0.0386 -0.0386 3.3878 3.3878 3.4558 3.4558 4.0789 4.0789 4.1787 4.1787 4.3313 4.3313 4.4015 4.4015 5.3003 5.3003 5.3738 5.3738 5.4764 5.4764 5.7613 5.7613 6.3754 6.3754 7.7336 7.7336 8.1254 8.1254 8.3253 8.3253 8.8822 8.8822 9.2817 9.2817 10.3164 10.3164 10.6473 10.6473 10.7708 10.7708 11.4072 11.4072 12.0117 12.0117 k = 0.0667 0.1155-0.0000 ( 5647 PWs) bands (ev): -18.5710 -18.5710 -18.5597 -18.5597 -5.2956 -5.2956 -5.2027 -5.2027 -3.5294 -3.5294 -3.2118 -3.2118 -3.1741 -3.1741 -3.1357 -3.1357 -0.6974 -0.6974 -0.0358 -0.0358 3.3756 3.3756 3.4553 3.4553 4.0769 4.0769 4.1852 4.1852 4.3193 4.3193 4.4015 4.4015 5.3004 5.3004 5.3896 5.3896 5.4715 5.4715 5.7662 5.7662 6.3139 6.3139 7.8673 7.8673 8.2554 8.2554 8.3568 8.3568 8.9227 8.9227 9.3692 9.3692 10.2869 10.2869 10.5186 10.5186 10.7353 10.7353 11.4807 11.4807 11.9813 11.9813 k = 0.0593 0.1026-0.0000 ( 5641 PWs) bands (ev): -18.5714 -18.5714 -18.5601 -18.5601 -5.2957 -5.2957 -5.2003 -5.2003 -3.5325 -3.5325 -3.2050 -3.2050 -3.1711 -3.1711 -3.1310 -3.1310 -0.7240 -0.7240 -0.0330 -0.0330 3.3645 3.3645 3.4549 3.4549 4.0749 4.0749 4.1915 4.1915 4.3079 4.3079 4.4017 4.4017 5.3003 5.3003 5.4056 5.4056 5.4674 5.4674 5.7711 5.7711 6.2557 6.2557 8.0031 8.0031 8.3200 8.3200 8.4537 8.4537 8.9564 8.9564 9.4563 9.4563 10.2557 10.2557 10.3852 10.3852 10.7047 10.7047 11.5506 11.5506 11.9284 11.9284 k = 0.0519 0.0898-0.0000 ( 5643 PWs) bands (ev): -18.5717 -18.5717 -18.5604 -18.5604 -5.2958 -5.2958 -5.1982 -5.1982 -3.5353 -3.5353 -3.1997 -3.1997 -3.1674 -3.1674 -3.1268 -3.1268 -0.7479 -0.7479 -0.0305 -0.0305 3.3545 3.3545 3.4545 3.4545 4.0731 4.0731 4.1976 4.1976 4.2974 4.2974 4.4022 4.4022 5.3002 5.3002 5.4210 5.4210 5.4643 5.4643 5.7762 5.7762 6.2009 6.2009 8.1406 8.1406 8.3417 8.3417 8.5922 8.5922 8.9840 8.9840 9.5410 9.5410 10.2016 10.2016 10.2726 10.2726 10.6755 10.6755 11.6147 11.6147 11.8169 11.8169 k = 0.0444 0.0770-0.0000 ( 5639 PWs) bands (ev): -18.5720 -18.5720 -18.5607 -18.5607 -5.2959 -5.2959 -5.1963 -5.1963 -3.5377 -3.5377 -3.1958 -3.1958 -3.1633 -3.1633 -3.1230 -3.1230 -0.7690 -0.7690 -0.0282 -0.0282 3.3457 3.3457 3.4542 3.4542 4.0715 4.0715 4.2033 4.2033 4.2878 4.2878 4.4029 4.4029 5.3000 5.3000 5.4345 5.4345 5.4635 5.4635 5.7816 5.7816 6.1501 6.1501 8.2785 8.2785 8.3568 8.3568 8.7353 8.7353 9.0065 9.0065 9.6207 9.6207 10.0800 10.0800 10.2269 10.2269 10.6470 10.6470 11.6636 11.6636 11.7181 11.7181 k = 0.0370 0.0642-0.0000 ( 5637 PWs) bands (ev): -18.5723 -18.5723 -18.5609 -18.5609 -5.2960 -5.2960 -5.1947 -5.1947 -3.5397 -3.5397 -3.1931 -3.1931 -3.1590 -3.1590 -3.1198 -3.1198 -0.7871 -0.7871 -0.0261 -0.0261 3.3382 3.3382 3.4539 3.4539 4.0700 4.0700 4.2087 4.2087 4.2791 4.2791 4.4036 4.4036 5.2997 5.2997 5.4428 5.4428 5.4678 5.4678 5.7875 5.7875 6.1036 6.1036 8.3635 8.3635 8.4229 8.4229 8.8758 8.8758 9.0249 9.0249 9.6904 9.6904 9.9403 9.9403 10.2011 10.2011 10.6189 10.6189 11.6007 11.6007 11.6596 11.6596 k = 0.0296 0.0513-0.0000 ( 5641 PWs) bands (ev): -18.5725 -18.5725 -18.5611 -18.5611 -5.2961 -5.2961 -5.1934 -5.1934 -3.5414 -3.5414 -3.1913 -3.1913 -3.1550 -3.1550 -3.1171 -3.1171 -0.8021 -0.8021 -0.0244 -0.0244 3.3320 3.3320 3.4537 3.4537 4.0687 4.0687 4.2137 4.2137 4.2714 4.2714 4.4043 4.4043 5.2995 5.2995 5.4449 5.4449 5.4775 5.4775 5.7939 5.7939 6.0623 6.0623 8.3744 8.3744 8.5608 8.5608 9.0076 9.0076 9.0431 9.0431 9.7333 9.7333 9.8104 9.8104 10.1816 10.1816 10.5920 10.5920 11.5132 11.5132 11.5501 11.5501 k = 0.0222 0.0385-0.0000 ( 5633 PWs) bands (ev): -18.5727 -18.5727 -18.5612 -18.5612 -5.2962 -5.2962 -5.1924 -5.1924 -3.5427 -3.5427 -3.1901 -3.1901 -3.1516 -3.1516 -3.1150 -3.1150 -0.8139 -0.8139 -0.0230 -0.0230 3.3272 3.3272 3.4536 3.4536 4.0677 4.0677 4.2182 4.2182 4.2648 4.2648 4.4049 4.4049 5.2993 5.2993 5.4446 5.4446 5.4882 5.4882 5.8007 5.8007 6.0269 6.0269 8.3819 8.3819 8.6975 8.6975 9.0519 9.0519 9.1373 9.1373 9.6388 9.6388 9.7971 9.7971 10.1695 10.1695 10.5674 10.5674 11.4390 11.4390 11.4595 11.4595 k = 0.0148 0.0257-0.0000 ( 5635 PWs) bands (ev): -18.5728 -18.5728 -18.5614 -18.5614 -5.2963 -5.2963 -5.1916 -5.1916 -3.5437 -3.5437 -3.1893 -3.1893 -3.1490 -3.1490 -3.1135 -3.1135 -0.8224 -0.8224 -0.0219 -0.0219 3.3237 3.3237 3.4534 3.4534 4.0670 4.0670 4.2220 4.2220 4.2595 4.2595 4.4053 4.4053 5.2992 5.2992 5.4439 5.4439 5.4972 5.4972 5.8073 5.8073 5.9991 5.9991 8.3873 8.3873 8.8250 8.8250 9.0714 9.0714 9.2428 9.2428 9.5002 9.5002 9.8058 9.8058 10.1667 10.1667 10.5472 10.5472 11.3831 11.3831 11.3909 11.3909 k = 0.0074 0.0128-0.0000 ( 5641 PWs) bands (ev): -18.5729 -18.5729 -18.5614 -18.5614 -5.2963 -5.2963 -5.1912 -5.1912 -3.5443 -3.5443 -3.1889 -3.1889 -3.1474 -3.1474 -3.1126 -3.1126 -0.8275 -0.8275 -0.0213 -0.0213 3.3216 3.3216 3.4534 3.4534 4.0666 4.0666 4.2248 4.2248 4.2558 4.2558 4.4056 4.4056 5.2991 5.2991 5.4433 5.4433 5.5031 5.5031 5.8124 5.8124 5.9808 5.9808 8.3905 8.3905 8.9217 8.9217 9.1106 9.1106 9.3188 9.3188 9.3674 9.3674 9.7995 9.7995 10.1699 10.1699 10.5338 10.5338 11.3478 11.3478 11.3485 11.3485 k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -18.5729 -18.5729 -18.5614 -18.5614 -5.2963 -5.2963 -5.1910 -5.1910 -3.5445 -3.5445 -3.1887 -3.1887 -3.1469 -3.1469 -3.1123 -3.1123 -0.8293 -0.8293 -0.0211 -0.0211 3.3209 3.3209 3.4533 3.4533 4.0664 4.0664 4.2258 4.2258 4.2545 4.2545 4.4057 4.4057 5.2990 5.2990 5.4431 5.4431 5.5051 5.5051 5.8144 5.8144 5.9744 5.9744 8.3916 8.3916 8.9553 8.9553 9.1605 9.1605 9.2849 9.2849 9.3474 9.3474 9.7938 9.7938 10.1721 10.1721 10.5290 10.5290 11.3331 11.3331 11.3367 11.3367 k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -18.5729 -18.5729 -18.5614 -18.5614 -5.2963 -5.2963 -5.1910 -5.1910 -3.5445 -3.5445 -3.1887 -3.1887 -3.1469 -3.1469 -3.1123 -3.1123 -0.8293 -0.8293 -0.0211 -0.0211 3.3209 3.3209 3.4533 3.4533 4.0664 4.0664 4.2258 4.2258 4.2545 4.2545 4.4057 4.4057 5.2990 5.2990 5.4431 5.4431 5.5051 5.5051 5.8144 5.8144 5.9744 5.9744 8.3916 8.3916 8.9553 8.9553 9.1605 9.1605 9.2849 9.2849 9.3474 9.3474 9.7938 9.7938 10.1721 10.1721 10.5290 10.5290 11.3331 11.3331 11.3367 11.3367 k = 0.0000 0.0000 0.0150 ( 5653 PWs) bands (ev): -18.5729 -18.5729 -18.5615 -18.5615 -5.2961 -5.2961 -5.1912 -5.1912 -3.5439 -3.5439 -3.1898 -3.1898 -3.1468 -3.1468 -3.1123 -3.1123 -0.8274 -0.8274 -0.0228 -0.0228 3.3211 3.3211 3.4531 3.4531 4.0667 4.0667 4.2261 4.2261 4.2539 4.2539 4.4053 4.4053 5.2994 5.2994 5.4433 5.4433 5.5046 5.5046 5.8045 5.8045 5.9879 5.9879 8.3839 8.3839 8.9566 8.9566 9.1620 9.1620 9.2853 9.2853 9.3490 9.3490 9.7907 9.7907 10.1680 10.1680 10.5351 10.5351 11.3349 11.3349 11.3389 11.3389 k = 0.0000 0.0000 0.0300 ( 5635 PWs) bands (ev): -18.5728 -18.5728 -18.5615 -18.5615 -5.2953 -5.2953 -5.1918 -5.1918 -3.5422 -3.5422 -3.1929 -3.1929 -3.1466 -3.1466 -3.1126 -3.1126 -0.8217 -0.8217 -0.0277 -0.0277 3.3220 3.3220 3.4522 3.4522 4.0675 4.0675 4.2271 4.2271 4.2522 4.2522 4.4042 4.4042 5.3006 5.3006 5.4438 5.4438 5.5032 5.5032 5.7813 5.7813 6.0220 6.0220 8.3614 8.3614 8.9607 8.9607 9.1664 9.1664 9.2863 9.2863 9.3535 9.3535 9.7816 9.7816 10.1560 10.1560 10.5533 10.5533 11.3401 11.3401 11.3456 11.3456 k = 0.0000 0.0000 0.0450 ( 5623 PWs) bands (ev): -18.5727 -18.5727 -18.5617 -18.5617 -5.2941 -5.2941 -5.1929 -5.1929 -3.5394 -3.5394 -3.1980 -3.1980 -3.1462 -3.1462 -3.1129 -3.1129 -0.8124 -0.8124 -0.0359 -0.0359 3.3234 3.3234 3.4508 3.4508 4.0688 4.0688 4.2285 4.2285 4.2495 4.2495 4.4022 4.4022 5.3026 5.3026 5.4447 5.4447 5.5008 5.5008 5.7536 5.7536 6.0676 6.0676 8.3251 8.3251 8.9675 8.9675 9.1738 9.1738 9.2879 9.2879 9.3601 9.3601 9.7669 9.7669 10.1366 10.1366 10.5828 10.5828 11.3489 11.3489 11.3567 11.3567 k = 0.0000 0.0000 0.0600 ( 5629 PWs) bands (ev): -18.5725 -18.5725 -18.5618 -18.5618 -5.2924 -5.2924 -5.1943 -5.1943 -3.5355 -3.5355 -3.2049 -3.2049 -3.1457 -3.1457 -3.1134 -3.1134 -0.7994 -0.7994 -0.0473 -0.0473 3.3253 3.3253 3.4488 3.4488 4.0707 4.0707 4.2301 4.2301 4.2462 4.2462 4.3996 4.3996 5.3054 5.3054 5.4460 5.4460 5.4975 5.4975 5.7255 5.7255 6.1207 6.1207 8.2767 8.2767 8.9770 8.9770 9.1841 9.1841 9.2902 9.2902 9.3677 9.3677 9.7472 9.7472 10.1106 10.1106 10.6228 10.6228 11.3611 11.3611 11.3723 11.3723 k = 0.0000 0.0000 0.0750 ( 5628 PWs) bands (ev): -18.5723 -18.5723 -18.5620 -18.5620 -5.2903 -5.2903 -5.1960 -5.1960 -3.5305 -3.5305 -3.2137 -3.2137 -3.1451 -3.1451 -3.1141 -3.1141 -0.7831 -0.7831 -0.0617 -0.0617 3.3278 3.3278 3.4464 3.4464 4.0731 4.0731 4.2307 4.2307 4.2436 4.2436 4.3962 4.3962 5.3090 5.3090 5.4477 5.4477 5.4933 5.4933 5.6985 5.6985 6.1793 6.1793 8.2179 8.2179 8.9891 8.9891 9.1973 9.1973 9.2931 9.2931 9.3755 9.3755 9.7234 9.7234 10.0790 10.0790 10.6724 10.6724 11.3769 11.3769 11.3922 11.3922 k = 0.0000 0.0000 0.0900 ( 5640 PWs) bands (ev): -18.5721 -18.5721 -18.5623 -18.5623 -5.2877 -5.2877 -5.1982 -5.1982 -3.5243 -3.5243 -3.2241 -3.2241 -3.1443 -3.1443 -3.1149 -3.1149 -0.7635 -0.7635 -0.0791 -0.0791 3.3307 3.3307 3.4434 3.4434 4.0759 4.0759 4.2282 4.2282 4.2438 4.2438 4.3921 4.3921 5.3132 5.3132 5.4497 5.4497 5.4883 5.4883 5.6733 5.6733 6.2427 6.2427 8.1504 8.1504 9.0038 9.0038 9.2133 9.2133 9.2966 9.2966 9.3824 9.3824 9.6961 9.6961 10.0428 10.0428 10.7303 10.7303 11.3961 11.3961 11.4164 11.4164 k = 0.0000 0.0000 0.1050 ( 5652 PWs) bands (ev): -18.5718 -18.5718 -18.5626 -18.5626 -5.2848 -5.2848 -5.2007 -5.2007 -3.5171 -3.5171 -3.2360 -3.2360 -3.1434 -3.1434 -3.1158 -3.1158 -0.7410 -0.7410 -0.0993 -0.0993 3.3342 3.3342 3.4399 3.4399 4.0794 4.0794 4.2227 4.2227 4.2469 4.2469 4.3874 4.3874 5.3182 5.3182 5.4522 5.4522 5.4825 5.4825 5.6500 5.6500 6.3104 6.3104 8.0758 8.0758 9.0209 9.0209 9.2321 9.2321 9.3008 9.3008 9.3881 9.3881 9.6660 9.6660 10.0030 10.0030 10.7956 10.7956 11.4189 11.4189 11.4449 11.4449 k = 0.0000 0.0000 0.1200 ( 5640 PWs) bands (ev): -18.5714 -18.5714 -18.5629 -18.5629 -5.2814 -5.2814 -5.2036 -5.2036 -3.5089 -3.5089 -3.2492 -3.2492 -3.1424 -3.1424 -3.1168 -3.1168 -0.7157 -0.7157 -0.1222 -0.1222 3.3380 3.3380 3.4359 3.4359 4.0833 4.0833 4.2158 4.2158 4.2514 4.2514 4.3820 4.3820 5.3239 5.3239 5.4551 5.4551 5.4760 5.4760 5.6287 5.6287 6.3820 6.3820 7.9955 7.9955 9.0404 9.0404 9.2535 9.2535 9.3055 9.3055 9.3920 9.3920 9.6336 9.6336 9.9604 9.9604 10.8673 10.8673 11.4451 11.4451 11.4778 11.4778 k = 0.0000 0.0000 0.1350 ( 5640 PWs) bands (ev): -18.5711 -18.5711 -18.5633 -18.5633 -5.2778 -5.2778 -5.2068 -5.2068 -3.4996 -3.4996 -3.2634 -3.2634 -3.1413 -3.1413 -3.1180 -3.1180 -0.6879 -0.6879 -0.1476 -0.1476 3.3423 3.3423 3.4316 3.4316 4.0877 4.0877 4.2080 4.2080 4.2568 4.2568 4.3761 4.3761 5.3302 5.3302 5.4584 5.4584 5.4688 5.4688 5.6092 5.6092 6.4572 6.4572 7.9105 7.9105 9.0622 9.0622 9.2776 9.2776 9.3108 9.3108 9.3942 9.3942 9.5995 9.5995 9.9158 9.9158 10.9445 10.9445 11.4747 11.4747 11.5149 11.5149 k = 0.0000 0.0000 0.1500 ( 5652 PWs) bands (ev): -18.5706 -18.5706 -18.5637 -18.5637 -5.2738 -5.2738 -5.2103 -5.2103 -3.4893 -3.4893 -3.2785 -3.2785 -3.1401 -3.1401 -3.1192 -3.1192 -0.6579 -0.6579 -0.1752 -0.1752 3.3470 3.3470 3.4269 3.4269 4.0926 4.0926 4.1997 4.1997 4.2629 4.2629 4.3697 4.3697 5.3371 5.3371 5.4610 5.4610 5.4623 5.4623 5.5914 5.5914 6.5359 6.5359 7.8219 7.8219 9.0861 9.0861 9.3042 9.3042 9.3166 9.3166 9.3944 9.3944 9.5642 9.5642 9.8700 9.8700 11.0264 11.0264 11.5077 11.5077 11.5562 11.5562 k = 0.0000 0.0000 0.1650 ( 5652 PWs) bands (ev): -18.5702 -18.5702 -18.5642 -18.5642 -5.2696 -5.2696 -5.2141 -5.2141 -3.4781 -3.4781 -3.2943 -3.2943 -3.1388 -3.1388 -3.1205 -3.1205 -0.6260 -0.6260 -0.2048 -0.2048 3.3521 3.3521 3.4218 3.4218 4.0980 4.0980 4.1911 4.1911 4.2694 4.2694 4.3629 4.3629 5.3446 5.3446 5.4528 5.4528 5.4666 5.4666 5.5752 5.5752 6.6177 6.6177 7.7305 7.7305 9.1120 9.1120 9.3229 9.3229 9.3332 9.3332 9.3929 9.3929 9.5280 9.5280 9.8235 9.8235 11.1124 11.1124 11.5440 11.5440 11.6017 11.6017 k = 0.0000 0.0000 0.1800 ( 5652 PWs) bands (ev): -18.5697 -18.5697 -18.5646 -18.5646 -5.2651 -5.2651 -5.2182 -5.2182 -3.4659 -3.4659 -3.3106 -3.3106 -3.1374 -3.1374 -3.1220 -3.1220 -0.5926 -0.5926 -0.2363 -0.2363 3.3574 3.3574 3.4164 3.4164 4.1039 4.1039 4.1823 4.1823 4.2765 4.2765 4.3556 4.3556 5.3525 5.3525 5.4441 5.4441 5.4714 5.4714 5.5605 5.5605 6.7024 6.7024 7.6370 7.6370 9.1398 9.1398 9.3296 9.3296 9.3646 9.3646 9.3896 9.3896 9.4916 9.4916 9.7767 9.7767 11.2016 11.2016 11.5833 11.5833 11.6515 11.6515 k = 0.0000 0.0000 0.1950 ( 5646 PWs) bands (ev): -18.5693 -18.5693 -18.5651 -18.5651 -5.2605 -5.2605 -5.2224 -5.2224 -3.4528 -3.4528 -3.3272 -3.3272 -3.1359 -3.1359 -3.1234 -3.1234 -0.5578 -0.5578 -0.2693 -0.2693 3.3630 3.3630 3.4108 3.4108 4.1102 4.1102 4.1735 4.1735 4.2839 4.2839 4.3480 4.3480 5.3609 5.3609 5.4351 5.4351 5.4768 5.4768 5.5472 5.5472 6.7897 6.7897 7.5421 7.5421 9.1693 9.1693 9.3368 9.3368 9.3844 9.3844 9.3982 9.3982 9.4554 9.4554 9.7302 9.7302 11.2937 11.2937 11.6252 11.6252 11.7053 11.7053 k = 0.0000 0.0000 0.2100 ( 5646 PWs) bands (ev): -18.5688 -18.5688 -18.5656 -18.5656 -5.2557 -5.2557 -5.2269 -5.2269 -3.4390 -3.4390 -3.3439 -3.3439 -3.1344 -3.1344 -3.1249 -3.1249 -0.5221 -0.5221 -0.3037 -0.3037 3.3688 3.3688 3.4050 3.4050 4.1169 4.1169 4.1647 4.1647 4.2916 4.2916 4.3402 4.3402 5.3696 5.3696 5.4258 5.4258 5.4828 5.4828 5.5351 5.5351 6.8793 6.8793 7.4463 7.4463 9.2004 9.2004 9.3442 9.3442 9.3763 9.3763 9.4211 9.4211 9.4339 9.4339 9.6842 9.6842 11.3881 11.3881 11.6687 11.6687 11.7632 11.7632 k = 0.0000 0.0000 0.2250 ( 5640 PWs) bands (ev): -18.5682 -18.5682 -18.5661 -18.5661 -5.2509 -5.2509 -5.2315 -5.2315 -3.4244 -3.4244 -3.3607 -3.3607 -3.1329 -3.1329 -3.1265 -3.1265 -0.4856 -0.4856 -0.3391 -0.3391 3.3747 3.3747 3.3990 3.3990 4.1240 4.1240 4.1561 4.1561 4.2995 4.2995 4.3322 4.3322 5.3787 5.3787 5.4164 5.4164 5.4895 5.4895 5.5241 5.5241 6.9709 6.9709 7.3502 7.3502 9.2327 9.2327 9.3519 9.3519 9.3609 9.3609 9.3935 9.3935 9.4716 9.4716 9.6391 9.6391 11.4839 11.4839 11.7100 11.7100 11.8251 11.8251 k = 0.0000 0.0000 0.2400 ( 5628 PWs) bands (ev): -18.5677 -18.5677 -18.5667 -18.5667 -5.2460 -5.2460 -5.2363 -5.2363 -3.4092 -3.4092 -3.3772 -3.3772 -3.1313 -3.1313 -3.1281 -3.1281 -0.4488 -0.4488 -0.3753 -0.3753 3.3808 3.3808 3.3930 3.3930 4.1316 4.1316 4.1476 4.1476 4.3076 4.3076 4.3240 4.3240 5.3879 5.3879 5.4069 5.4069 5.4969 5.4969 5.5141 5.5141 7.0641 7.0641 7.2541 7.2541 9.2661 9.2661 9.3331 9.3331 9.3599 9.3599 9.3781 9.3781 9.5111 9.5111 9.5950 9.5950 11.5798 11.5798 11.7273 11.7273 11.8535 11.8535 k = 0.0000 0.0000 0.2550 ( 5628 PWs) bands (ev): -18.5672 -18.5672 -18.5672 -18.5672 -5.2411 -5.2411 -5.2411 -5.2411 -3.3934 -3.3934 -3.3934 -3.3934 -3.1297 -3.1297 -3.1297 -3.1297 -0.4120 -0.4120 -0.4120 -0.4120 3.3869 3.3869 3.3869 3.3869 4.1395 4.1395 4.1395 4.1395 4.3158 4.3158 4.3158 4.3158 5.3974 5.3974 5.3974 5.3974 5.5051 5.5051 5.5051 5.5051 7.1587 7.1587 7.1587 7.1587 9.3000 9.3000 9.3000 9.3000 9.3683 9.3683 9.3683 9.3683 9.5523 9.5523 9.5523 9.5523 11.6707 11.6707 11.6707 11.6707 11.8620 11.8620 k = 0.0000 0.0000 0.2550 ( 5628 PWs) bands (ev): -18.5672 -18.5672 -18.5672 -18.5672 -5.2411 -5.2411 -5.2411 -5.2411 -3.3934 -3.3934 -3.3934 -3.3934 -3.1297 -3.1297 -3.1297 -3.1297 -0.4120 -0.4120 -0.4120 -0.4120 3.3869 3.3869 3.3869 3.3869 4.1395 4.1395 4.1395 4.1395 4.3158 4.3158 4.3158 4.3158 5.3974 5.3974 5.3974 5.3974 5.5051 5.5051 5.5051 5.5051 7.1587 7.1587 7.1587 7.1587 9.3000 9.3000 9.3000 9.3000 9.3683 9.3683 9.3683 9.3683 9.5523 9.5523 9.5523 9.5523 11.6707 11.6707 11.6707 11.6707 11.8620 11.8620 k = 0.0128 0.0074 0.2550 ( 5638 PWs) bands (ev): -18.5672 -18.5672 -18.5672 -18.5672 -5.2412 -5.2412 -5.2412 -5.2412 -3.3934 -3.3934 -3.3934 -3.3934 -3.1301 -3.1301 -3.1301 -3.1301 -0.4112 -0.4112 -0.4112 -0.4112 3.3872 3.3872 3.3872 3.3872 4.1394 4.1394 4.1394 4.1394 4.3161 4.3161 4.3161 4.3161 5.3961 5.3961 5.3961 5.3961 5.5063 5.5063 5.5063 5.5063 7.1601 7.1601 7.1601 7.1601 9.2204 9.2204 9.2204 9.2204 9.3943 9.3943 9.3943 9.3943 9.6000 9.6000 9.6000 9.6000 11.6577 11.6577 11.6577 11.6577 11.8677 11.8677 k = 0.0256 0.0148 0.2550 ( 5640 PWs) bands (ev): -18.5671 -18.5671 -18.5671 -18.5671 -5.2414 -5.2414 -5.2414 -5.2414 -3.3932 -3.3932 -3.3932 -3.3932 -3.1311 -3.1311 -3.1311 -3.1311 -0.4089 -0.4089 -0.4089 -0.4089 3.3881 3.3881 3.3881 3.3881 4.1391 4.1391 4.1391 4.1391 4.3168 4.3168 4.3168 4.3168 5.3924 5.3924 5.3924 5.3924 5.5099 5.5099 5.5099 5.5099 7.1645 7.1645 7.1645 7.1645 9.0946 9.0946 9.0946 9.0946 9.3979 9.3979 9.3979 9.3979 9.7046 9.7046 9.7046 9.7046 11.6260 11.6260 11.6260 11.6260 11.8787 11.8787 k = 0.0385 0.0222 0.2550 ( 5644 PWs) bands (ev): -18.5670 -18.5670 -18.5670 -18.5670 -5.2418 -5.2418 -5.2418 -5.2418 -3.3930 -3.3930 -3.3930 -3.3930 -3.1329 -3.1329 -3.1329 -3.1329 -0.4051 -0.4051 -0.4051 -0.4051 3.3897 3.3897 3.3897 3.3897 4.1386 4.1386 4.1386 4.1386 4.3182 4.3182 4.3182 4.3182 5.3868 5.3868 5.3868 5.3868 5.5153 5.5153 5.5153 5.5153 7.1718 7.1718 7.1718 7.1718 8.9593 8.9593 8.9593 8.9593 9.3847 9.3847 9.3847 9.3847 9.8239 9.8239 9.8239 9.8239 11.5860 11.5860 11.5860 11.5860 11.8892 11.8892 k = 0.0513 0.0296 0.2550 ( 5648 PWs) bands (ev): -18.5668 -18.5668 -18.5668 -18.5668 -5.2423 -5.2423 -5.2423 -5.2423 -3.3927 -3.3927 -3.3927 -3.3927 -3.1354 -3.1354 -3.1354 -3.1354 -0.3998 -0.3998 -0.3998 -0.3998 3.3920 3.3920 3.3920 3.3920 4.1379 4.1379 4.1379 4.1379 4.3201 4.3201 4.3201 4.3201 5.3798 5.3798 5.3798 5.3798 5.5220 5.5220 5.5220 5.5220 7.1818 7.1818 7.1818 7.1818 8.8203 8.8203 8.8203 8.8203 9.3621 9.3621 9.3621 9.3621 9.9446 9.9446 9.9446 9.9446 11.5440 11.5440 11.5440 11.5440 11.8993 11.8993 k = 0.0641 0.0370 0.2550 ( 5640 PWs) bands (ev): -18.5666 -18.5666 -18.5666 -18.5666 -5.2429 -5.2429 -5.2429 -5.2429 -3.3924 -3.3924 -3.3924 -3.3924 -3.1385 -3.1385 -3.1385 -3.1385 -0.3931 -0.3931 -0.3931 -0.3931 3.3948 3.3948 3.3948 3.3948 4.1370 4.1370 4.1370 4.1370 4.3226 4.3226 4.3226 4.3226 5.3719 5.3719 5.3719 5.3719 5.5295 5.5295 5.5295 5.5295 7.1943 7.1943 7.1943 7.1943 8.6799 8.6799 8.6799 8.6799 9.3322 9.3322 9.3322 9.3322 10.0625 10.0625 10.0625 10.0625 11.5028 11.5028 11.5028 11.5028 11.9102 11.9102 k = 0.0769 0.0444 0.2550 ( 5650 PWs) bands (ev): -18.5664 -18.5664 -18.5664 -18.5664 -5.2437 -5.2437 -5.2437 -5.2437 -3.3919 -3.3919 -3.3919 -3.3919 -3.1422 -3.1422 -3.1422 -3.1422 -0.3849 -0.3849 -0.3849 -0.3849 3.3983 3.3983 3.3983 3.3983 4.1358 4.1358 4.1358 4.1358 4.3256 4.3256 4.3256 4.3256 5.3635 5.3635 5.3635 5.3635 5.5376 5.5376 5.5376 5.5376 7.2091 7.2091 7.2091 7.2091 8.5393 8.5393 8.5393 8.5393 9.2959 9.2959 9.2959 9.2959 10.1754 10.1754 10.1754 10.1754 11.4640 11.4640 11.4640 11.4640 11.9230 11.9230 k = 0.0897 0.0518 0.2550 ( 5636 PWs) bands (ev): -18.5661 -18.5661 -18.5661 -18.5661 -5.2446 -5.2446 -5.2446 -5.2446 -3.3915 -3.3915 -3.3915 -3.3915 -3.1464 -3.1464 -3.1464 -3.1464 -0.3754 -0.3754 -0.3754 -0.3754 3.4024 3.4024 3.4024 3.4024 4.1345 4.1345 4.1345 4.1345 4.3293 4.3293 4.3293 4.3293 5.3547 5.3547 5.3547 5.3547 5.5458 5.5458 5.5458 5.5458 7.2257 7.2257 7.2257 7.2257 8.3995 8.3995 8.3995 8.3995 9.2539 9.2539 9.2539 9.2539 10.2813 10.2813 10.2813 10.2813 11.4285 11.4285 11.4285 11.4285 11.9380 11.9380 k = 0.1026 0.0592 0.2550 ( 5632 PWs) bands (ev): -18.5657 -18.5657 -18.5657 -18.5657 -5.2456 -5.2456 -5.2456 -5.2456 -3.3910 -3.3910 -3.3910 -3.3910 -3.1512 -3.1512 -3.1512 -3.1512 -0.3645 -0.3645 -0.3645 -0.3645 3.4070 3.4070 3.4070 3.4070 4.1330 4.1330 4.1330 4.1330 4.3336 4.3336 4.3336 4.3336 5.3460 5.3460 5.3460 5.3460 5.5541 5.5541 5.5541 5.5541 7.2436 7.2436 7.2436 7.2436 8.2616 8.2616 8.2616 8.2616 9.2067 9.2067 9.2067 9.2067 10.3783 10.3783 10.3783 10.3783 11.3972 11.3972 11.3972 11.3972 11.9550 11.9550 k = 0.1154 0.0666 0.2550 ( 5630 PWs) bands (ev): -18.5653 -18.5653 -18.5653 -18.5653 -5.2468 -5.2468 -5.2468 -5.2468 -3.3904 -3.3904 -3.3904 -3.3904 -3.1564 -3.1564 -3.1564 -3.1564 -0.3524 -0.3524 -0.3524 -0.3524 3.4123 3.4123 3.4123 3.4123 4.1312 4.1312 4.1312 4.1312 4.3386 4.3386 4.3386 4.3386 5.3373 5.3373 5.3373 5.3373 5.5623 5.5623 5.5623 5.5623 7.2617 7.2617 7.2617 7.2617 8.1270 8.1270 8.1270 8.1270 9.1549 9.1549 9.1549 9.1549 10.4639 10.4639 10.4639 10.4639 11.3710 11.3710 11.3710 11.3710 11.9704 11.9704 k = 0.1282 0.0740 0.2550 ( 5630 PWs) bands (ev): -18.5649 -18.5649 -18.5649 -18.5649 -5.2481 -5.2481 -5.2481 -5.2481 -3.3899 -3.3899 -3.3899 -3.3899 -3.1620 -3.1620 -3.1620 -3.1620 -0.3391 -0.3391 -0.3391 -0.3391 3.4181 3.4181 3.4181 3.4181 4.1293 4.1293 4.1293 4.1293 4.3442 4.3442 4.3442 4.3442 5.3288 5.3288 5.3288 5.3288 5.5703 5.5703 5.5703 5.5703 7.2782 7.2782 7.2782 7.2782 7.9976 7.9976 7.9976 7.9976 9.0991 9.0991 9.0991 9.0991 10.5352 10.5352 10.5352 10.5352 11.3509 11.3509 11.3509 11.3509 11.9698 11.9698 k = 0.1410 0.0814 0.2550 ( 5628 PWs) bands (ev): -18.5645 -18.5645 -18.5645 -18.5645 -5.2495 -5.2495 -5.2495 -5.2495 -3.3895 -3.3895 -3.3895 -3.3895 -3.1679 -3.1679 -3.1679 -3.1679 -0.3247 -0.3247 -0.3247 -0.3247 3.4245 3.4245 3.4245 3.4245 4.1272 4.1272 4.1272 4.1272 4.3504 4.3504 4.3504 4.3504 5.3206 5.3206 5.3206 5.3206 5.5780 5.5780 5.5780 5.5780 7.2898 7.2898 7.2898 7.2898 7.8770 7.8770 7.8770 7.8770 9.0399 9.0399 9.0399 9.0399 10.5892 10.5892 10.5892 10.5892 11.3379 11.3379 11.3379 11.3379 11.9578 11.9578 k = 0.1538 0.0888 0.2550 ( 5620 PWs) bands (ev): -18.5640 -18.5640 -18.5640 -18.5640 -5.2510 -5.2510 -5.2510 -5.2510 -3.3890 -3.3890 -3.3890 -3.3890 -3.1740 -3.1740 -3.1740 -3.1740 -0.3093 -0.3093 -0.3093 -0.3093 3.4315 3.4315 3.4315 3.4315 4.1249 4.1249 4.1249 4.1249 4.3571 4.3571 4.3571 4.3571 5.3127 5.3127 5.3127 5.3127 5.5853 5.5853 5.5853 5.5853 7.2901 7.2901 7.2901 7.2901 7.7718 7.7718 7.7718 7.7718 8.9777 8.9777 8.9777 8.9777 10.6234 10.6234 10.6234 10.6234 11.3322 11.3322 11.3322 11.3322 11.9536 11.9536 k = 0.1667 0.0962 0.2550 ( 5622 PWs) bands (ev): -18.5635 -18.5635 -18.5635 -18.5635 -5.2526 -5.2526 -5.2526 -5.2526 -3.3887 -3.3887 -3.3887 -3.3887 -3.1803 -3.1803 -3.1803 -3.1803 -0.2929 -0.2929 -0.2929 -0.2929 3.4391 3.4391 3.4391 3.4391 4.1225 4.1225 4.1225 4.1225 4.3645 4.3645 4.3645 4.3645 5.3052 5.3052 5.3052 5.3052 5.5922 5.5922 5.5922 5.5922 7.2687 7.2687 7.2687 7.2687 7.6926 7.6926 7.6926 7.6926 8.9131 8.9131 8.9131 8.9131 10.6374 10.6374 10.6374 10.6374 11.3326 11.3326 11.3326 11.3326 11.9636 11.9636 k = 0.1795 0.1036 0.2550 ( 5616 PWs) bands (ev): -18.5630 -18.5630 -18.5630 -18.5630 -5.2543 -5.2543 -5.2543 -5.2543 -3.3885 -3.3885 -3.3885 -3.3885 -3.1866 -3.1866 -3.1866 -3.1866 -0.2757 -0.2757 -0.2757 -0.2757 3.4472 3.4472 3.4472 3.4472 4.1200 4.1200 4.1200 4.1200 4.3723 4.3723 4.3723 4.3723 5.2981 5.2981 5.2981 5.2981 5.5987 5.5987 5.5987 5.5987 7.2158 7.2158 7.2158 7.2158 7.6492 7.6492 7.6492 7.6492 8.8466 8.8466 8.8466 8.8466 10.6327 10.6327 10.6327 10.6327 11.3367 11.3367 11.3367 11.3367 11.9904 11.9904 k = 0.1923 0.1110 0.2550 ( 5634 PWs) bands (ev): -18.5624 -18.5624 -18.5624 -18.5624 -5.2561 -5.2561 -5.2561 -5.2561 -3.3884 -3.3884 -3.3884 -3.3884 -3.1928 -3.1928 -3.1928 -3.1928 -0.2577 -0.2577 -0.2577 -0.2577 3.4559 3.4559 3.4559 3.4559 4.1174 4.1174 4.1174 4.1174 4.3805 4.3805 4.3805 4.3805 5.2914 5.2914 5.2914 5.2914 5.6047 5.6047 5.6047 5.6047 7.1338 7.1338 7.1338 7.1338 7.6395 7.6395 7.6395 7.6395 8.7787 8.7787 8.7787 8.7787 10.6125 10.6125 10.6125 10.6125 11.3419 11.3419 11.3419 11.3419 12.0341 12.0341 k = 0.2051 0.1184 0.2550 ( 5638 PWs) bands (ev): -18.5619 -18.5619 -18.5619 -18.5619 -5.2580 -5.2580 -5.2580 -5.2580 -3.3886 -3.3886 -3.3886 -3.3886 -3.1990 -3.1990 -3.1990 -3.1990 -0.2390 -0.2390 -0.2390 -0.2390 3.4652 3.4652 3.4652 3.4652 4.1147 4.1147 4.1147 4.1147 4.3891 4.3891 4.3891 4.3891 5.2851 5.2851 5.2851 5.2851 5.6102 5.6102 5.6102 5.6102 7.0339 7.0339 7.0339 7.0339 7.6522 7.6522 7.6522 7.6522 8.7098 8.7098 8.7098 8.7098 10.5806 10.5806 10.5806 10.5806 11.3463 11.3463 11.3463 11.3463 12.0929 12.0929 k = 0.2179 0.1258 0.2550 ( 5634 PWs) bands (ev): -18.5613 -18.5613 -18.5613 -18.5613 -5.2600 -5.2600 -5.2600 -5.2600 -3.3889 -3.3889 -3.3889 -3.3889 -3.2050 -3.2050 -3.2050 -3.2050 -0.2198 -0.2198 -0.2198 -0.2198 3.4751 3.4751 3.4751 3.4751 4.1120 4.1120 4.1120 4.1120 4.3979 4.3979 4.3979 4.3979 5.2793 5.2793 5.2793 5.2793 5.6153 5.6153 5.6153 5.6153 6.9258 6.9258 6.9258 6.9258 7.6777 7.6777 7.6777 7.6777 8.6404 8.6404 8.6404 8.6404 10.5405 10.5405 10.5405 10.5405 11.3492 11.3492 11.3492 11.3492 12.1641 12.1641 k = 0.2308 0.1332 0.2550 ( 5638 PWs) bands (ev): -18.5607 -18.5607 -18.5607 -18.5607 -5.2620 -5.2620 -5.2620 -5.2620 -3.3895 -3.3895 -3.3895 -3.3895 -3.2107 -3.2107 -3.2107 -3.2107 -0.2001 -0.2001 -0.2001 -0.2001 3.4856 3.4856 3.4856 3.4856 4.1093 4.1093 4.1093 4.1093 4.4067 4.4067 4.4067 4.4067 5.2739 5.2739 5.2739 5.2739 5.6198 5.6198 5.6198 5.6198 6.8150 6.8150 6.8150 6.8150 7.7107 7.7107 7.7107 7.7107 8.5708 8.5708 8.5708 8.5708 10.4951 10.4951 10.4951 10.4951 11.3504 11.3504 11.3504 11.3504 12.2440 12.2440 k = 0.2436 0.1406 0.2550 ( 5632 PWs) bands (ev): -18.5601 -18.5601 -18.5601 -18.5601 -5.2641 -5.2641 -5.2641 -5.2641 -3.3904 -3.3904 -3.3904 -3.3904 -3.2161 -3.2161 -3.2161 -3.2161 -0.1801 -0.1801 -0.1801 -0.1801 3.4967 3.4967 3.4967 3.4967 4.1064 4.1064 4.1064 4.1064 4.4156 4.4156 4.4156 4.4156 5.2689 5.2689 5.2689 5.2689 5.6238 5.6238 5.6238 5.6238 6.7045 6.7045 6.7045 6.7045 7.7482 7.7482 7.7482 7.7482 8.5016 8.5016 8.5016 8.5016 10.4465 10.4465 10.4465 10.4465 11.3502 11.3502 11.3502 11.3502 12.3287 12.3287 k = 0.2564 0.1480 0.2550 ( 5640 PWs) bands (ev): -18.5595 -18.5595 -18.5595 -18.5595 -5.2662 -5.2662 -5.2662 -5.2662 -3.3915 -3.3915 -3.3915 -3.3915 -3.2210 -3.2210 -3.2210 -3.2210 -0.1598 -0.1598 -0.1598 -0.1598 3.5085 3.5085 3.5085 3.5085 4.1035 4.1035 4.1035 4.1035 4.4242 4.4242 4.4242 4.4242 5.2643 5.2643 5.2643 5.2643 5.6273 5.6273 5.6273 5.6273 6.5959 6.5959 6.5959 6.5959 7.7885 7.7885 7.7885 7.7885 8.4331 8.4331 8.4331 8.4331 10.3965 10.3965 10.3965 10.3965 11.3485 11.3485 11.3485 11.3485 12.4132 12.4132 k = 0.2692 0.1554 0.2550 ( 5648 PWs) bands (ev): -18.5589 -18.5589 -18.5589 -18.5589 -5.2683 -5.2683 -5.2683 -5.2683 -3.3930 -3.3930 -3.3930 -3.3930 -3.2256 -3.2256 -3.2256 -3.2256 -0.1394 -0.1394 -0.1394 -0.1394 3.5211 3.5211 3.5211 3.5211 4.1006 4.1006 4.1006 4.1006 4.4325 4.4325 4.4325 4.4325 5.2601 5.2601 5.2601 5.2601 5.6303 5.6303 5.6303 5.6303 6.4904 6.4904 6.4904 6.4904 7.8304 7.8304 7.8304 7.8304 8.3658 8.3658 8.3658 8.3658 10.3463 10.3463 10.3463 10.3463 11.3456 11.3456 11.3456 11.3456 12.4932 12.4932 k = 0.2821 0.1628 0.2550 ( 5636 PWs) bands (ev): -18.5583 -18.5583 -18.5583 -18.5583 -5.2705 -5.2705 -5.2705 -5.2705 -3.3948 -3.3948 -3.3948 -3.3948 -3.2296 -3.2296 -3.2296 -3.2296 -0.1191 -0.1191 -0.1191 -0.1191 3.5343 3.5343 3.5343 3.5343 4.0975 4.0975 4.0975 4.0975 4.4401 4.4401 4.4401 4.4401 5.2562 5.2562 5.2562 5.2562 5.6327 5.6327 5.6327 5.6327 6.3887 6.3887 6.3887 6.3887 7.8731 7.8731 7.8731 7.8731 8.3004 8.3004 8.3004 8.3004 10.2971 10.2971 10.2971 10.2971 11.3412 11.3412 11.3412 11.3412 12.5684 12.5684 k = 0.2949 0.1702 0.2550 ( 5638 PWs) bands (ev): -18.5578 -18.5578 -18.5578 -18.5578 -5.2726 -5.2726 -5.2726 -5.2726 -3.3968 -3.3968 -3.3968 -3.3968 -3.2332 -3.2332 -3.2332 -3.2332 -0.0989 -0.0989 -0.0989 -0.0989 3.5483 3.5483 3.5483 3.5483 4.0942 4.0942 4.0942 4.0942 4.4469 4.4469 4.4469 4.4469 5.2527 5.2527 5.2527 5.2527 5.6347 5.6347 5.6347 5.6347 6.2915 6.2915 6.2915 6.2915 7.9153 7.9153 7.9153 7.9153 8.2375 8.2375 8.2375 8.2375 10.2495 10.2495 10.2495 10.2495 11.3353 11.3353 11.3353 11.3353 12.6417 12.6417 k = 0.3077 0.1776 0.2550 ( 5642 PWs) bands (ev): -18.5572 -18.5572 -18.5572 -18.5572 -5.2747 -5.2747 -5.2747 -5.2747 -3.3991 -3.3991 -3.3991 -3.3991 -3.2363 -3.2363 -3.2363 -3.2363 -0.0790 -0.0790 -0.0790 -0.0790 3.5630 3.5630 3.5630 3.5630 4.0908 4.0908 4.0908 4.0908 4.4527 4.4527 4.4527 4.4527 5.2495 5.2495 5.2495 5.2495 5.6360 5.6360 5.6360 5.6360 6.1995 6.1995 6.1995 6.1995 7.9550 7.9550 7.9550 7.9550 8.1792 8.1792 8.1792 8.1792 10.2041 10.2041 10.2041 10.2041 11.3277 11.3277 11.3277 11.3277 12.7149 12.7149 k = 0.3205 0.1850 0.2550 ( 5630 PWs) bands (ev): -18.5567 -18.5567 -18.5567 -18.5567 -5.2767 -5.2767 -5.2767 -5.2767 -3.4016 -3.4016 -3.4016 -3.4016 -3.2389 -3.2389 -3.2389 -3.2389 -0.0595 -0.0595 -0.0595 -0.0595 3.5785 3.5785 3.5785 3.5785 4.0872 4.0872 4.0872 4.0872 4.4572 4.4572 4.4572 4.4572 5.2466 5.2466 5.2466 5.2466 5.6367 5.6367 5.6367 5.6367 6.1131 6.1131 6.1131 6.1131 7.9866 7.9866 7.9866 7.9866 8.1307 8.1307 8.1307 8.1307 10.1615 10.1615 10.1615 10.1615 11.3182 11.3182 11.3182 11.3182 12.7888 12.7888 k = 0.3333 0.1925 0.2550 ( 5636 PWs) bands (ev): -18.5561 -18.5561 -18.5561 -18.5561 -5.2787 -5.2787 -5.2787 -5.2787 -3.4043 -3.4043 -3.4043 -3.4043 -3.2411 -3.2411 -3.2411 -3.2411 -0.0405 -0.0405 -0.0405 -0.0405 3.5948 3.5948 3.5948 3.5948 4.0832 4.0832 4.0832 4.0832 4.4603 4.4603 4.4603 4.4603 5.2441 5.2441 5.2441 5.2441 5.6367 5.6367 5.6367 5.6367 6.0328 6.0328 6.0328 6.0328 7.9924 7.9924 7.9924 7.9924 8.1098 8.1098 8.1098 8.1098 10.1219 10.1219 10.1219 10.1219 11.3069 11.3069 11.3069 11.3069 12.8637 12.8637 k = 0.3462 0.1999 0.2550 ( 5628 PWs) bands (ev): -18.5556 -18.5556 -18.5556 -18.5556 -5.2807 -5.2807 -5.2807 -5.2807 -3.4071 -3.4071 -3.4071 -3.4071 -3.2428 -3.2428 -3.2428 -3.2428 -0.0222 -0.0222 -0.0222 -0.0222 3.6119 3.6119 3.6119 3.6119 4.0788 4.0788 4.0788 4.0788 4.4617 4.4617 4.4617 4.4617 5.2419 5.2419 5.2419 5.2419 5.6359 5.6359 5.6359 5.6359 5.9592 5.9592 5.9592 5.9592 7.9620 7.9620 7.9620 7.9620 8.1267 8.1267 8.1267 8.1267 10.0857 10.0857 10.0857 10.0857 11.2937 11.2937 11.2937 11.2937 12.9395 12.9395 k = 0.3590 0.2073 0.2550 ( 5630 PWs) bands (ev): -18.5552 -18.5552 -18.5552 -18.5552 -5.2825 -5.2825 -5.2825 -5.2825 -3.4100 -3.4100 -3.4100 -3.4100 -3.2442 -3.2442 -3.2442 -3.2442 -0.0047 -0.0047 -0.0047 -0.0047 3.6296 3.6296 3.6296 3.6296 4.0740 4.0740 4.0740 4.0740 4.4612 4.4612 4.4612 4.4612 5.2400 5.2400 5.2400 5.2400 5.6339 5.6339 5.6339 5.6339 5.8930 5.8930 5.8930 5.8930 7.9178 7.9178 7.9178 7.9178 8.1588 8.1588 8.1588 8.1588 10.0530 10.0530 10.0530 10.0530 11.2788 11.2788 11.2788 11.2788 13.0160 13.0160 k = 0.3718 0.2147 0.2550 ( 5636 PWs) bands (ev): -18.5547 -18.5547 -18.5547 -18.5547 -5.2842 -5.2842 -5.2842 -5.2842 -3.4128 -3.4128 -3.4128 -3.4128 -3.2453 -3.2453 -3.2453 -3.2453 0.0118 0.0118 0.0118 0.0118 3.6481 3.6481 3.6481 3.6481 4.0687 4.0687 4.0687 4.0687 4.4590 4.4590 4.4590 4.4590 5.2383 5.2383 5.2383 5.2383 5.6303 5.6303 5.6303 5.6303 5.8348 5.8348 5.8348 5.8348 7.8720 7.8720 7.8720 7.8720 8.1938 8.1938 8.1938 8.1938 10.0240 10.0240 10.0240 10.0240 11.2624 11.2624 11.2624 11.2624 13.0927 13.0927 k = 0.3846 0.2221 0.2550 ( 5632 PWs) bands (ev): -18.5543 -18.5543 -18.5543 -18.5543 -5.2859 -5.2859 -5.2859 -5.2859 -3.4156 -3.4156 -3.4156 -3.4156 -3.2461 -3.2461 -3.2461 -3.2461 0.0272 0.0272 0.0272 0.0272 3.6671 3.6671 3.6671 3.6671 4.0627 4.0627 4.0627 4.0627 4.4550 4.4550 4.4550 4.4550 5.2370 5.2370 5.2370 5.2370 5.6243 5.6243 5.6243 5.6243 5.7857 5.7857 5.7857 5.7857 7.8280 7.8280 7.8280 7.8280 8.2283 8.2283 8.2283 8.2283 9.9987 9.9987 9.9987 9.9987 11.2448 11.2448 11.2448 11.2448 13.1693 13.1693 k = 0.3974 0.2295 0.2550 ( 5628 PWs) bands (ev): -18.5539 -18.5539 -18.5539 -18.5539 -5.2873 -5.2873 -5.2873 -5.2873 -3.4183 -3.4183 -3.4183 -3.4183 -3.2466 -3.2466 -3.2466 -3.2466 0.0414 0.0414 0.0414 0.0414 3.6865 3.6865 3.6865 3.6865 4.0561 4.0561 4.0561 4.0561 4.4494 4.4494 4.4494 4.4494 5.2359 5.2359 5.2359 5.2359 5.6146 5.6146 5.6146 5.6146 5.7468 5.7468 5.7468 5.7468 7.7871 7.7871 7.7871 7.7871 8.2607 8.2607 8.2607 8.2607 9.9769 9.9769 9.9769 9.9769 11.2266 11.2266 11.2266 11.2266 13.2451 13.2451 k = 0.4103 0.2369 0.2550 ( 5644 PWs) bands (ev): -18.5536 -18.5536 -18.5536 -18.5536 -5.2887 -5.2887 -5.2887 -5.2887 -3.4207 -3.4207 -3.4207 -3.4207 -3.2470 -3.2470 -3.2470 -3.2470 0.0543 0.0543 0.0543 0.0543 3.7061 3.7061 3.7061 3.7061 4.0487 4.0487 4.0487 4.0487 4.4426 4.4426 4.4426 4.4426 5.2351 5.2351 5.2351 5.2351 5.6006 5.6006 5.6006 5.6006 5.7189 5.7189 5.7189 5.7189 7.7500 7.7500 7.7500 7.7500 8.2905 8.2905 8.2905 8.2905 9.9587 9.9587 9.9587 9.9587 11.2084 11.2084 11.2084 11.2084 13.3195 13.3195 k = 0.4231 0.2443 0.2550 ( 5644 PWs) bands (ev): -18.5533 -18.5533 -18.5533 -18.5533 -5.2899 -5.2899 -5.2899 -5.2899 -3.4229 -3.4229 -3.4229 -3.4229 -3.2473 -3.2473 -3.2473 -3.2473 0.0657 0.0657 0.0657 0.0657 3.7256 3.7256 3.7256 3.7256 4.0407 4.0407 4.0407 4.0407 4.4350 4.4350 4.4350 4.4350 5.2345 5.2345 5.2345 5.2345 5.5831 5.5831 5.5831 5.5831 5.7009 5.7009 5.7009 5.7009 7.7170 7.7170 7.7170 7.7170 8.3170 8.3170 8.3170 8.3170 9.9437 9.9437 9.9437 9.9437 11.1907 11.1907 11.1907 11.1907 13.3916 13.3916 k = 0.4359 0.2517 0.2550 ( 5640 PWs) bands (ev): -18.5530 -18.5530 -18.5530 -18.5530 -5.2909 -5.2909 -5.2909 -5.2909 -3.4249 -3.4249 -3.4249 -3.4249 -3.2475 -3.2475 -3.2475 -3.2475 0.0755 0.0755 0.0755 0.0755 3.7445 3.7445 3.7445 3.7445 4.0321 4.0321 4.0321 4.0321 4.4272 4.4272 4.4272 4.4272 5.2341 5.2341 5.2341 5.2341 5.5646 5.5646 5.5646 5.5646 5.6900 5.6900 5.6900 5.6900 7.6886 7.6886 7.6886 7.6886 8.3400 8.3400 8.3400 8.3400 9.9319 9.9319 9.9319 9.9319 11.1741 11.1741 11.1741 11.1741 13.4601 13.4601 k = 0.4487 0.2591 0.2550 ( 5640 PWs) bands (ev): -18.5528 -18.5528 -18.5528 -18.5528 -5.2918 -5.2918 -5.2918 -5.2918 -3.4265 -3.4265 -3.4265 -3.4265 -3.2475 -3.2475 -3.2475 -3.2475 0.0837 0.0837 0.0837 0.0837 3.7622 3.7622 3.7622 3.7622 4.0233 4.0233 4.0233 4.0233 4.4197 4.4197 4.4197 4.4197 5.2338 5.2338 5.2338 5.2338 5.5478 5.5478 5.5478 5.5478 5.6835 5.6835 5.6835 5.6835 7.6650 7.6650 7.6650 7.6650 8.3591 8.3591 8.3591 8.3591 9.9227 9.9227 9.9227 9.9227 11.1595 11.1595 11.1595 11.1595 13.5234 13.5234 k = 0.4615 0.2665 0.2550 ( 5644 PWs) bands (ev): -18.5526 -18.5526 -18.5526 -18.5526 -5.2924 -5.2924 -5.2924 -5.2924 -3.4278 -3.4278 -3.4278 -3.4278 -3.2476 -3.2476 -3.2476 -3.2476 0.0902 0.0902 0.0902 0.0902 3.7779 3.7779 3.7779 3.7779 4.0149 4.0149 4.0149 4.0149 4.4131 4.4131 4.4131 4.4131 5.2336 5.2336 5.2336 5.2336 5.5339 5.5339 5.5339 5.5339 5.6796 5.6796 5.6796 5.6796 7.6464 7.6464 7.6464 7.6464 8.3742 8.3742 8.3742 8.3742 9.9160 9.9160 9.9160 9.9160 11.1474 11.1474 11.1474 11.1474 13.5793 13.5793 k = 0.4744 0.2739 0.2550 ( 5646 PWs) bands (ev): -18.5525 -18.5525 -18.5525 -18.5525 -5.2929 -5.2929 -5.2929 -5.2929 -3.4288 -3.4288 -3.4288 -3.4288 -3.2476 -3.2476 -3.2476 -3.2476 0.0948 0.0948 0.0948 0.0948 3.7905 3.7905 3.7905 3.7905 4.0077 4.0077 4.0077 4.0077 4.4080 4.4080 4.4080 4.4080 5.2336 5.2336 5.2336 5.2336 5.5237 5.5237 5.5237 5.5237 5.6773 5.6773 5.6773 5.6773 7.6329 7.6329 7.6329 7.6329 8.3850 8.3850 8.3850 8.3850 9.9115 9.9115 9.9115 9.9115 11.1383 11.1383 11.1383 11.1383 13.6243 13.6243 k = 0.4872 0.2813 0.2550 ( 5656 PWs) bands (ev): -18.5525 -18.5525 -18.5525 -18.5525 -5.2932 -5.2932 -5.2932 -5.2932 -3.4294 -3.4294 -3.4294 -3.4294 -3.2476 -3.2476 -3.2476 -3.2476 0.0976 0.0976 0.0976 0.0976 3.7988 3.7988 3.7988 3.7988 4.0027 4.0027 4.0027 4.0027 4.4048 4.4048 4.4048 4.4048 5.2335 5.2335 5.2335 5.2335 5.5176 5.5176 5.5176 5.5176 5.6760 5.6760 5.6760 5.6760 7.6249 7.6249 7.6249 7.6249 8.3916 8.3916 8.3916 8.3916 9.9089 9.9089 9.9089 9.9089 11.1327 11.1327 11.1327 11.1327 13.6542 13.6542 k = 0.5000 0.2887 0.2550 ( 5648 PWs) bands (ev): -18.5524 -18.5524 -18.5524 -18.5524 -5.2933 -5.2933 -5.2933 -5.2933 -3.4296 -3.4296 -3.4296 -3.4296 -3.2476 -3.2476 -3.2476 -3.2476 0.0986 0.0986 0.0986 0.0986 3.8017 3.8017 3.8017 3.8017 4.0009 4.0009 4.0009 4.0009 4.4037 4.4037 4.4037 4.4037 5.2335 5.2335 5.2335 5.2335 5.5155 5.5155 5.5155 5.5155 5.6756 5.6756 5.6756 5.6756 7.6221 7.6221 7.6221 7.6221 8.3938 8.3938 8.3938 8.3938 9.9080 9.9080 9.9080 9.9080 11.1308 11.1308 11.1308 11.1308 13.6649 13.6649 k = 0.5000 0.2887 0.2550 ( 5648 PWs) bands (ev): -18.5524 -18.5524 -18.5524 -18.5524 -5.2933 -5.2933 -5.2933 -5.2933 -3.4296 -3.4296 -3.4296 -3.4296 -3.2476 -3.2476 -3.2476 -3.2476 0.0986 0.0986 0.0986 0.0986 3.8017 3.8017 3.8017 3.8017 4.0009 4.0009 4.0009 4.0009 4.4037 4.4037 4.4037 4.4037 5.2335 5.2335 5.2335 5.2335 5.5155 5.5155 5.5155 5.5155 5.6756 5.6756 5.6756 5.6756 7.6221 7.6221 7.6221 7.6221 8.3938 8.3938 8.3938 8.3938 9.9080 9.9080 9.9080 9.9080 11.1308 11.1308 11.1308 11.1308 13.6649 13.6649 k = 0.4928 0.3012 0.2550 ( 5648 PWs) bands (ev): -18.5524 -18.5524 -18.5524 -18.5524 -5.2934 -5.2934 -5.2932 -5.2932 -3.4299 -3.4299 -3.4289 -3.4289 -3.2480 -3.2480 -3.2478 -3.2478 0.0967 0.0967 0.1012 0.1012 3.7958 3.7958 3.8071 3.8071 3.9798 3.9798 4.0228 4.0228 4.3944 4.3944 4.4133 4.4133 5.2269 5.2269 5.2399 5.2399 5.5105 5.5105 5.5217 5.5217 5.6758 5.6758 5.6758 5.6758 7.6067 7.6067 7.6267 7.6267 8.3907 8.3907 8.3976 8.3976 9.9086 9.9086 9.9098 9.9098 11.1363 11.1363 11.1398 11.1398 13.6362 13.6367 k = 0.4855 0.3138 0.2550 ( 5656 PWs) bands (ev): -18.5524 -18.5524 -18.5524 -18.5524 -5.2935 -5.2935 -5.2932 -5.2932 -3.4300 -3.4300 -3.4279 -3.4279 -3.2490 -3.2490 -3.2485 -3.2485 0.0956 0.0956 0.1045 0.1045 3.7895 3.7895 3.8119 3.8119 3.9597 3.9597 4.0454 4.0454 4.3856 4.3856 4.4230 4.4230 5.2202 5.2202 5.2458 5.2458 5.5066 5.5066 5.5291 5.5291 5.6762 5.6762 5.6763 5.6763 7.5808 7.5808 7.6203 7.6203 8.3882 8.3882 8.4020 8.4020 9.9117 9.9117 9.9138 9.9138 11.1563 11.1563 11.1629 11.1629 13.5876 13.5886 k = 0.4783 0.3263 0.2550 ( 5654 PWs) bands (ev): -18.5524 -18.5524 -18.5524 -18.5524 -5.2937 -5.2937 -5.2932 -5.2932 -3.4298 -3.4298 -3.4266 -3.4266 -3.2505 -3.2505 -3.2498 -3.2498 0.0952 0.0952 0.1086 0.1086 3.7828 3.7828 3.8159 3.8159 3.9409 3.9409 4.0683 4.0683 4.3775 4.3775 4.4326 4.4326 5.2135 5.2135 5.2511 5.2511 5.5038 5.5038 5.5376 5.5376 5.6769 5.6769 5.6771 5.6771 7.5454 7.5454 7.6032 7.6032 8.3866 8.3866 8.4070 8.4070 9.9172 9.9172 9.9196 9.9196 11.1904 11.1904 11.1997 11.1997 13.5312 13.5338 k = 0.4710 0.3389 0.2550 ( 5646 PWs) bands (ev): -18.5523 -18.5523 -18.5523 -18.5523 -5.2938 -5.2938 -5.2932 -5.2932 -3.4292 -3.4292 -3.4249 -3.4249 -3.2526 -3.2526 -3.2516 -3.2516 0.0956 0.0956 0.1133 0.1133 3.7758 3.7758 3.8188 3.8188 3.9237 3.9237 4.0915 4.0915 4.3704 4.3704 4.4419 4.4419 5.2069 5.2069 5.2558 5.2558 5.5021 5.5021 5.5475 5.5475 5.6779 5.6779 5.6782 5.6782 7.5014 7.5014 7.5760 7.5760 8.3856 8.3856 8.4124 8.4124 9.9251 9.9251 9.9270 9.9270 11.2380 11.2380 11.2491 11.2491 13.4717 13.4728 k = 0.4638 0.3514 0.2550 ( 5642 PWs) bands (ev): -18.5523 -18.5523 -18.5522 -18.5522 -5.2940 -5.2940 -5.2933 -5.2933 -3.4284 -3.4284 -3.4230 -3.4230 -3.2552 -3.2552 -3.2540 -3.2540 0.0966 0.0966 0.1186 0.1186 3.7686 3.7686 3.8201 3.8201 3.9086 3.9086 4.1147 4.1147 4.3645 4.3645 4.4507 4.4507 5.2008 5.2008 5.2597 5.2597 5.5014 5.5014 5.5586 5.5586 5.6790 5.6790 5.6797 5.6797 7.4501 7.4501 7.5397 7.5397 8.3854 8.3854 8.4184 8.4184 9.9350 9.9350 9.9356 9.9356 11.2982 11.2982 11.3100 11.3100 13.4086 13.4098 k = 0.4565 0.3640 0.2550 ( 5644 PWs) bands (ev): -18.5522 -18.5522 -18.5522 -18.5522 -5.2942 -5.2942 -5.2934 -5.2934 -3.4272 -3.4272 -3.4208 -3.4208 -3.2582 -3.2582 -3.2569 -3.2569 0.0984 0.0984 0.1245 0.1245 3.7611 3.7611 3.8194 3.8194 3.8962 3.8962 4.1376 4.1376 4.3600 4.3600 4.4589 4.4589 5.1950 5.1950 5.2629 5.2629 5.5017 5.5017 5.5710 5.5710 5.6802 5.6802 5.6817 5.6817 7.3928 7.3928 7.4952 7.4952 8.3858 8.3858 8.4247 8.4247 9.9452 9.9452 9.9467 9.9467 11.3698 11.3698 11.3811 11.3811 13.3465 13.3477 k = 0.4493 0.3765 0.2550 ( 5640 PWs) bands (ev): -18.5521 -18.5521 -18.5521 -18.5521 -5.2945 -5.2945 -5.2935 -5.2935 -3.4258 -3.4258 -3.4183 -3.4183 -3.2616 -3.2616 -3.2603 -3.2603 0.1007 0.1007 0.1310 0.1310 3.7535 3.7535 3.8162 3.8162 3.8869 3.8869 4.1598 4.1598 4.3572 4.3572 4.4664 4.4664 5.1899 5.1899 5.2652 5.2652 5.5030 5.5030 5.5846 5.5846 5.6815 5.6815 5.6842 5.6842 7.3309 7.3309 7.4438 7.4438 8.3869 8.3869 8.4313 8.4313 9.9556 9.9556 9.9599 9.9599 11.4515 11.4515 11.4606 11.4606 13.2861 13.2862 k = 0.4420 0.3891 0.2550 ( 5636 PWs) bands (ev): -18.5520 -18.5520 -18.5520 -18.5520 -5.2948 -5.2948 -5.2936 -5.2936 -3.4242 -3.4242 -3.4155 -3.4155 -3.2654 -3.2654 -3.2641 -3.2641 0.1036 0.1036 0.1378 0.1378 3.7457 3.7457 3.8103 3.8103 3.8807 3.8807 4.1809 4.1809 4.3563 4.3563 4.4729 4.4729 5.1854 5.1854 5.2666 5.2666 5.5053 5.5053 5.5991 5.5991 5.6827 5.6827 5.6875 5.6875 7.2657 7.2657 7.3868 7.3868 8.3885 8.3885 8.4383 8.4383 9.9664 9.9664 9.9741 9.9741 11.5420 11.5420 11.5471 11.5471 13.2301 13.2301 k = 0.4348 0.4016 0.2550 ( 5628 PWs) bands (ev): -18.5519 -18.5519 -18.5519 -18.5519 -5.2950 -5.2950 -5.2938 -5.2938 -3.4223 -3.4223 -3.4125 -3.4125 -3.2695 -3.2695 -3.2683 -3.2683 0.1070 0.1070 0.1450 0.1450 3.7378 3.7378 3.8025 3.8025 3.8772 3.8772 4.2006 4.2006 4.3577 4.3577 4.4786 4.4786 5.1817 5.1817 5.2673 5.2673 5.5085 5.5085 5.6141 5.6141 5.6838 5.6838 5.6923 5.6923 7.1983 7.1983 7.3252 7.3252 8.3906 8.3906 8.4454 8.4454 9.9777 9.9777 9.9890 9.9890 11.6388 11.6388 11.6397 11.6397 13.1783 13.1783 k = 0.4275 0.4142 0.2550 ( 5640 PWs) bands (ev): -18.5518 -18.5518 -18.5517 -18.5517 -5.2953 -5.2953 -5.2940 -5.2940 -3.4203 -3.4203 -3.4093 -3.4093 -3.2739 -3.2739 -3.2728 -3.2728 0.1108 0.1108 0.1525 0.1525 3.7300 3.7300 3.7936 3.7936 3.8752 3.8752 4.2186 4.2186 4.3613 4.3613 4.4832 4.4832 5.1787 5.1787 5.2672 5.2672 5.5126 5.5126 5.6286 5.6286 5.6846 5.6846 5.6994 5.6994 7.1300 7.1300 7.2602 7.2602 8.3932 8.3932 8.4526 8.4526 9.9891 9.9891 10.0043 10.0043 11.7339 11.7339 11.7428 11.7428 13.1312 13.1312 k = 0.4203 0.4267 0.2550 ( 5630 PWs) bands (ev): -18.5517 -18.5517 -18.5516 -18.5516 -5.2956 -5.2956 -5.2942 -5.2942 -3.4180 -3.4180 -3.4058 -3.4058 -3.2785 -3.2785 -3.2776 -3.2776 0.1150 0.1150 0.1601 0.1601 3.7222 3.7222 3.7846 3.7846 3.8740 3.8740 4.2344 4.2344 4.3673 4.3673 4.4869 4.4869 5.1764 5.1764 5.2665 5.2665 5.5177 5.5177 5.6412 5.6412 5.6851 5.6851 5.7101 5.7101 7.0618 7.0618 7.1928 7.1928 8.3962 8.3962 8.4600 8.4600 10.0006 10.0006 10.0198 10.0198 11.8305 11.8305 11.8497 11.8497 13.0893 13.0893 k = 0.4130 0.4393 0.2550 ( 5632 PWs) bands (ev): -18.5515 -18.5515 -18.5515 -18.5515 -5.2960 -5.2960 -5.2944 -5.2944 -3.4156 -3.4156 -3.4022 -3.4022 -3.2832 -3.2832 -3.2827 -3.2827 0.1194 0.1194 0.1677 0.1677 3.7146 3.7146 3.7760 3.7760 3.8730 3.8730 4.2482 4.2482 4.3754 4.3754 4.4897 4.4897 5.1748 5.1748 5.2651 5.2651 5.5235 5.5235 5.6509 5.6509 5.6852 5.6852 5.7256 5.7256 6.9948 6.9948 7.1242 7.1242 8.3994 8.3994 8.4673 8.4673 10.0119 10.0119 10.0350 10.0350 11.9266 11.9266 11.9585 11.9585 13.0530 13.0530 k = 0.4058 0.4518 0.2550 ( 5630 PWs) bands (ev): -18.5514 -18.5514 -18.5514 -18.5514 -5.2963 -5.2963 -5.2946 -5.2946 -3.4131 -3.4131 -3.3984 -3.3984 -3.2879 -3.2879 -3.2879 -3.2879 0.1240 0.1240 0.1754 0.1754 3.7072 3.7072 3.7681 3.7681 3.8719 3.8719 4.2601 4.2601 4.3850 4.3850 4.4915 4.4915 5.1738 5.1738 5.2633 5.2633 5.5302 5.5302 5.6576 5.6576 5.6847 5.6847 5.7458 5.7458 6.9299 6.9299 7.0551 7.0551 8.4029 8.4029 8.4744 8.4744 10.0229 10.0229 10.0498 10.0498 12.0205 12.0205 12.0672 12.0672 13.0227 13.0227 k = 0.3986 0.4644 0.2550 ( 5636 PWs) bands (ev): -18.5513 -18.5513 -18.5512 -18.5512 -5.2966 -5.2966 -5.2948 -5.2948 -3.4106 -3.4106 -3.3945 -3.3945 -3.2933 -3.2933 -3.2927 -3.2927 0.1287 0.1287 0.1828 0.1828 3.7003 3.7003 3.7613 3.7613 3.8704 3.8704 4.2707 4.2707 4.3953 4.3953 4.4926 4.4926 5.1733 5.1733 5.2610 5.2610 5.5376 5.5376 5.6619 5.6619 5.6836 5.6836 5.7698 5.7698 6.8681 6.8681 6.9865 6.9865 8.4065 8.4065 8.4814 8.4814 10.0335 10.0335 10.0638 10.0638 12.1101 12.1101 12.1738 12.1738 12.9986 12.9986 k = 0.3913 0.4769 0.2550 ( 5640 PWs) bands (ev): -18.5512 -18.5512 -18.5511 -18.5511 -5.2969 -5.2969 -5.2951 -5.2951 -3.4081 -3.4081 -3.3906 -3.3906 -3.2987 -3.2987 -3.2973 -3.2973 0.1333 0.1333 0.1900 0.1900 3.6937 3.6937 3.7556 3.7556 3.8684 3.8684 4.2803 4.2803 4.4055 4.4055 4.4930 4.4930 5.1732 5.1732 5.2585 5.2585 5.5456 5.5456 5.6647 5.6647 5.6817 5.6817 5.7966 5.7966 6.8101 6.8101 6.9192 6.9192 8.4101 8.4101 8.4880 8.4880 10.0433 10.0433 10.0769 10.0769 12.1937 12.1937 12.2761 12.2761 12.9809 12.9809 k = 0.3841 0.4895 0.2550 ( 5638 PWs) bands (ev): -18.5511 -18.5511 -18.5510 -18.5510 -5.2972 -5.2972 -5.2953 -5.2953 -3.4056 -3.4056 -3.3866 -3.3866 -3.3040 -3.3040 -3.3017 -3.3017 0.1377 0.1377 0.1967 0.1967 3.6878 3.6878 3.7512 3.7512 3.8658 3.8658 4.2893 4.2893 4.4148 4.4148 4.4929 4.4929 5.1735 5.1735 5.2558 5.2558 5.5543 5.5543 5.6665 5.6665 5.6791 5.6791 5.8253 5.8253 6.7569 6.7569 6.8544 6.8544 8.4137 8.4137 8.4943 8.4943 10.0522 10.0522 10.0887 10.0887 12.2699 12.2699 12.3723 12.3723 12.9698 12.9698 k = 0.3768 0.5020 0.2550 ( 5630 PWs) bands (ev): -18.5510 -18.5510 -18.5509 -18.5509 -5.2975 -5.2975 -5.2956 -5.2956 -3.4032 -3.4032 -3.3826 -3.3826 -3.3092 -3.3092 -3.3058 -3.3058 0.1419 0.1419 0.2029 0.2029 3.6824 3.6824 3.7481 3.7481 3.8628 3.8628 4.2980 4.2980 4.4227 4.4227 4.4923 4.4923 5.1740 5.1740 5.2531 5.2531 5.5634 5.5634 5.6677 5.6677 5.6755 5.6755 5.8548 5.8548 6.7091 6.7091 6.7928 6.7928 8.4171 8.4171 8.5000 8.5000 10.0602 10.0602 10.0991 10.0991 12.3376 12.3376 12.4606 12.4606 12.9652 12.9652 k = 0.3696 0.5146 0.2550 ( 5636 PWs) bands (ev): -18.5509 -18.5509 -18.5508 -18.5508 -5.2978 -5.2978 -5.2958 -5.2958 -3.4011 -3.4011 -3.3788 -3.3788 -3.3142 -3.3142 -3.3094 -3.3094 0.1458 0.1458 0.2085 0.2085 3.6778 3.6778 3.7463 3.7463 3.8593 3.8593 4.3065 4.3065 4.4288 4.4288 4.4915 4.4915 5.1747 5.1747 5.2504 5.2504 5.5729 5.5729 5.6684 5.6684 5.6710 5.6710 5.8841 5.8841 6.6676 6.6676 6.7359 6.7359 8.4203 8.4203 8.5052 8.5052 10.0669 10.0669 10.1080 10.1080 12.3961 12.3961 12.5397 12.5397 12.9669 12.9669 k = 0.3623 0.5271 0.2550 ( 5632 PWs) bands (ev): -18.5508 -18.5508 -18.5507 -18.5507 -5.2980 -5.2980 -5.2960 -5.2960 -3.3992 -3.3992 -3.3752 -3.3752 -3.3187 -3.3187 -3.3126 -3.3126 0.1491 0.1491 0.2133 0.2133 3.6740 3.6740 3.7457 3.7457 3.8554 3.8554 4.3147 4.3147 4.4327 4.4327 4.4905 4.4905 5.1754 5.1754 5.2480 5.2480 5.5826 5.5826 5.6655 5.6655 5.6687 5.6687 5.9120 5.9120 6.6329 6.6329 6.6851 6.6851 8.4231 8.4231 8.5096 8.5096 10.0724 10.0724 10.1152 10.1152 12.4449 12.4449 12.6089 12.6089 12.9743 12.9744 k = 0.3551 0.5397 0.2550 ( 5632 PWs) bands (ev): -18.5507 -18.5507 -18.5507 -18.5507 -5.2982 -5.2982 -5.2962 -5.2962 -3.3977 -3.3977 -3.3720 -3.3720 -3.3227 -3.3227 -3.3152 -3.3152 0.1519 0.1519 0.2171 0.2171 3.6711 3.6711 3.7460 3.7460 3.8516 3.8516 4.3223 4.3223 4.4346 4.4346 4.4896 4.4896 5.1761 5.1761 5.2458 5.2458 5.5922 5.5922 5.6593 5.6593 5.6689 5.6689 5.9369 5.9369 6.6054 6.6054 6.6421 6.6421 8.4255 8.4255 8.5132 8.5132 10.0766 10.0766 10.1207 10.1207 12.4840 12.4840 12.6676 12.6676 12.9863 12.9864 k = 0.3478 0.5522 0.2550 ( 5634 PWs) bands (ev): -18.5507 -18.5507 -18.5506 -18.5506 -5.2984 -5.2984 -5.2963 -5.2963 -3.3965 -3.3965 -3.3694 -3.3694 -3.3258 -3.3258 -3.3171 -3.3171 0.1540 0.1540 0.2200 0.2200 3.6690 3.6690 3.7470 3.7470 3.8481 3.8481 4.3289 4.3289 4.4348 4.4348 4.4887 4.4887 5.1766 5.1766 5.2442 5.2442 5.6012 5.6012 5.6526 5.6526 5.6689 5.6689 5.9568 5.9568 6.5857 6.5857 6.6092 6.6092 8.4273 8.4273 8.5159 8.5159 10.0795 10.0795 10.1244 10.1244 12.5128 12.5128 12.7148 12.7148 13.0007 13.0007 k = 0.3406 0.5648 0.2550 ( 5626 PWs) bands (ev): -18.5506 -18.5506 -18.5506 -18.5506 -5.2985 -5.2985 -5.2964 -5.2964 -3.3959 -3.3959 -3.3677 -3.3677 -3.3279 -3.3279 -3.3182 -3.3182 0.1553 0.1553 0.2218 0.2218 3.6677 3.6677 3.7481 3.7481 3.8454 3.8454 4.3338 4.3338 4.4341 4.4341 4.4881 4.4881 5.1770 5.1770 5.2431 5.2431 5.6086 5.6086 5.6465 5.6465 5.6689 5.6689 5.9697 5.9697 6.5739 6.5739 6.5883 6.5883 8.4285 8.4285 8.5176 8.5176 10.0811 10.0811 10.1266 10.1266 12.5309 12.5309 12.7479 12.7479 13.0126 13.0126 k = 0.3333 0.5774 0.2550 ( 5610 PWs) bands (ev): -18.5506 -18.5506 -18.5506 -18.5506 -5.2985 -5.2985 -5.2964 -5.2964 -3.3957 -3.3957 -3.3672 -3.3672 -3.3286 -3.3286 -3.3186 -3.3186 0.1558 0.1558 0.2225 0.2225 3.6673 3.6673 3.7486 3.7486 3.8444 3.8444 4.3356 4.3356 4.4336 4.4336 4.4879 4.4879 5.1772 5.1772 5.2427 5.2427 5.6118 5.6118 5.6437 5.6437 5.6689 5.6689 5.9742 5.9742 6.5699 6.5699 6.5811 6.5811 8.4289 8.4289 8.5182 8.5182 10.0816 10.0816 10.1273 10.1273 12.5371 12.5371 12.7607 12.7607 13.0158 13.0158 k = 0.3333 0.5774 0.2550 ( 5610 PWs) bands (ev): -18.5506 -18.5506 -18.5506 -18.5506 -5.2985 -5.2985 -5.2964 -5.2964 -3.3957 -3.3957 -3.3672 -3.3672 -3.3286 -3.3286 -3.3186 -3.3186 0.1558 0.1558 0.2225 0.2225 3.6673 3.6673 3.7486 3.7486 3.8444 3.8444 4.3356 4.3356 4.4336 4.4336 4.4879 4.4879 5.1772 5.1772 5.2427 5.2427 5.6118 5.6118 5.6437 5.6437 5.6689 5.6689 5.9742 5.9742 6.5699 6.5699 6.5811 6.5811 8.4289 8.4289 8.5182 8.5182 10.0816 10.0816 10.1273 10.1273 12.5371 12.5371 12.7607 12.7607 13.0158 13.0158 k = 0.3259 0.5645 0.2550 ( 5622 PWs) bands (ev): -18.5506 -18.5506 -18.5506 -18.5506 -5.2985 -5.2985 -5.2964 -5.2964 -3.3959 -3.3959 -3.3677 -3.3677 -3.3279 -3.3279 -3.3182 -3.3182 0.1553 0.1553 0.2218 0.2218 3.6677 3.6677 3.7478 3.7478 3.8457 3.8457 4.3333 4.3333 4.4345 4.4345 4.4882 4.4882 5.1770 5.1770 5.2431 5.2431 5.6084 5.6084 5.6468 5.6468 5.6689 5.6689 5.9697 5.9697 6.5740 6.5740 6.5885 6.5885 8.4284 8.4284 8.5175 8.5175 10.0812 10.0812 10.1266 10.1266 12.5304 12.5304 12.7460 12.7460 13.0189 13.0189 k = 0.3185 0.5517 0.2550 ( 5634 PWs) bands (ev): -18.5507 -18.5507 -18.5506 -18.5506 -5.2984 -5.2984 -5.2963 -5.2963 -3.3964 -3.3964 -3.3692 -3.3692 -3.3260 -3.3260 -3.3171 -3.3171 0.1537 0.1537 0.2197 0.2197 3.6688 3.6688 3.7450 3.7450 3.8501 3.8501 4.3261 4.3261 4.4379 4.4379 4.4891 4.4891 5.1764 5.1764 5.2446 5.2446 5.6005 5.6005 5.6539 5.6539 5.6691 5.6691 5.9570 5.9570 6.5858 6.5858 6.6098 6.6098 8.4269 8.4269 8.5155 8.5155 10.0800 10.0800 10.1250 10.1250 12.5106 12.5106 12.7058 12.7058 13.0344 13.0346 k = 0.3111 0.5389 0.2550 ( 5628 PWs) bands (ev): -18.5507 -18.5507 -18.5507 -18.5507 -5.2981 -5.2981 -5.2961 -5.2961 -3.3973 -3.3973 -3.3713 -3.3713 -3.3233 -3.3233 -3.3154 -3.3154 0.1510 0.1510 0.2162 0.2162 3.6705 3.6705 3.7400 3.7400 3.8576 3.8576 4.3142 4.3142 4.4435 4.4435 4.4906 4.4906 5.1755 5.1755 5.2471 5.2471 5.5910 5.5910 5.6627 5.6627 5.6695 5.6695 5.9383 5.9383 6.6049 6.6049 6.6430 6.6430 8.4243 8.4243 8.5121 8.5121 10.0784 10.0784 10.1227 10.1227 12.4793 12.4793 12.6503 12.6503 13.0490 13.0541 k = 0.3037 0.5260 0.2550 ( 5632 PWs) bands (ev): -18.5508 -18.5508 -18.5508 -18.5508 -5.2978 -5.2978 -5.2958 -5.2958 -3.3982 -3.3982 -3.3736 -3.3736 -3.3200 -3.3200 -3.3132 -3.3132 0.1472 0.1472 0.2113 0.2113 3.6725 3.6725 3.7329 3.7329 3.8678 3.8678 4.2986 4.2986 4.4507 4.4507 4.4930 4.4930 5.1740 5.1740 5.2509 5.2509 5.5814 5.5814 5.6702 5.6702 5.6720 5.6720 5.9162 5.9162 6.6308 6.6308 6.6858 6.6858 8.4204 8.4204 8.5071 8.5071 10.0769 10.0769 10.1201 10.1201 12.4390 12.4390 12.5874 12.5874 13.0639 13.0641 k = 0.2963 0.5132 0.2550 ( 5624 PWs) bands (ev): -18.5509 -18.5509 -18.5509 -18.5509 -5.2974 -5.2974 -5.2954 -5.2954 -3.3993 -3.3993 -3.3760 -3.3760 -3.3163 -3.3163 -3.3106 -3.3106 0.1421 0.1421 0.2048 0.2048 3.6748 3.6748 3.7242 3.7242 3.8804 3.8804 4.2805 4.2805 4.4587 4.4587 4.4961 4.4961 5.1720 5.1720 5.2557 5.2557 5.5725 5.5725 5.6712 5.6712 5.6819 5.6819 5.8928 5.8928 6.6629 6.6629 6.7360 6.7360 8.4152 8.4152 8.5006 8.5006 10.0757 10.0757 10.1176 10.1176 12.3923 12.3923 12.5213 12.5213 13.0860 13.0861 k = 0.2889 0.5004 0.2550 ( 5620 PWs) bands (ev): -18.5511 -18.5511 -18.5510 -18.5510 -5.2969 -5.2969 -5.2949 -5.2949 -3.4003 -3.4003 -3.3783 -3.3783 -3.3125 -3.3125 -3.3077 -3.3077 0.1358 0.1358 0.1968 0.1968 3.6770 3.6770 3.7143 3.7143 3.8945 3.8945 4.2607 4.2607 4.4669 4.4669 4.5001 4.5001 5.1696 5.1696 5.2616 5.2616 5.5650 5.5650 5.6726 5.6726 5.6922 5.6922 5.8701 5.8701 6.7005 6.7005 6.7920 6.7920 8.4085 8.4085 8.4924 8.4924 10.0753 10.0753 10.1157 10.1157 12.3415 12.3415 12.4542 12.4542 13.1111 13.1179 k = 0.2815 0.4875 0.2550 ( 5624 PWs) bands (ev): -18.5513 -18.5513 -18.5512 -18.5512 -5.2962 -5.2962 -5.2943 -5.2943 -3.4012 -3.4012 -3.3804 -3.3804 -3.3085 -3.3085 -3.3045 -3.3045 0.1283 0.1283 0.1874 0.1874 3.6788 3.6788 3.7035 3.7035 3.9098 3.9098 4.2402 4.2402 4.4747 4.4747 4.5049 4.5049 5.1667 5.1667 5.2683 5.2683 5.5595 5.5595 5.6741 5.6741 5.7033 5.7033 5.8498 5.8498 6.7431 6.7431 6.8523 6.8523 8.4004 8.4004 8.4825 8.4825 10.0762 10.0762 10.1149 10.1149 12.2882 12.2882 12.3872 12.3872 13.1252 13.1253 k = 0.2741 0.4747 0.2550 ( 5620 PWs) bands (ev): -18.5515 -18.5515 -18.5515 -18.5515 -5.2955 -5.2955 -5.2936 -5.2936 -3.4020 -3.4020 -3.3822 -3.3822 -3.3045 -3.3045 -3.3011 -3.3011 0.1196 0.1196 0.1765 0.1765 3.6799 3.6799 3.6920 3.6920 3.9257 3.9257 4.2196 4.2196 4.4817 4.4817 4.5103 4.5103 5.1635 5.1635 5.2754 5.2754 5.5566 5.5566 5.6758 5.6758 5.7156 5.7156 5.8331 5.8331 6.7898 6.7898 6.9160 6.9160 8.3907 8.3907 8.4710 8.4710 10.0789 10.0789 10.1156 10.1156 12.2338 12.2338 12.3209 12.3209 13.0972 13.0972 k = 0.2667 0.4619 0.2550 ( 5620 PWs) bands (ev): -18.5518 -18.5518 -18.5517 -18.5517 -5.2946 -5.2946 -5.2927 -5.2927 -3.4026 -3.4026 -3.3838 -3.3838 -3.3005 -3.3005 -3.2976 -3.2976 0.1096 0.1096 0.1642 0.1642 3.6801 3.6801 3.6801 3.6801 3.9416 3.9416 4.1997 4.1997 4.4877 4.4877 4.5162 4.5162 5.1602 5.1602 5.2823 5.2823 5.5568 5.5568 5.6770 5.6770 5.7296 5.7296 5.8214 5.8214 6.8403 6.8403 6.9822 6.9822 8.3794 8.3794 8.4580 8.4580 10.0837 10.0837 10.1181 10.1181 12.1790 12.1790 12.2558 12.2558 13.0483 13.0483 k = 0.2593 0.4491 0.2550 ( 5624 PWs) bands (ev): -18.5521 -18.5521 -18.5520 -18.5520 -5.2936 -5.2936 -5.2918 -5.2918 -3.4030 -3.4030 -3.3851 -3.3851 -3.2965 -3.2965 -3.2939 -3.2939 0.0985 0.0985 0.1506 0.1506 3.6679 3.6679 3.6791 3.6791 3.9574 3.9574 4.1809 4.1809 4.4924 4.4924 4.5223 4.5223 5.1571 5.1571 5.2883 5.2883 5.5604 5.5604 5.6774 5.6774 5.7461 5.7461 5.8161 5.8161 6.8938 6.8938 7.0502 7.0502 8.3667 8.3667 8.4435 8.4435 10.0912 10.0912 10.1231 10.1231 12.1244 12.1244 12.1921 12.1921 12.9829 12.9829 k = 0.2519 0.4362 0.2550 ( 5616 PWs) bands (ev): -18.5524 -18.5524 -18.5523 -18.5523 -5.2924 -5.2924 -5.2907 -5.2907 -3.4031 -3.4031 -3.3861 -3.3861 -3.2925 -3.2925 -3.2902 -3.2902 0.0862 0.0862 0.1357 0.1357 3.6555 3.6555 3.6765 3.6765 3.9726 3.9726 4.1638 4.1638 4.4957 4.4957 4.5283 4.5283 5.1545 5.1545 5.2931 5.2931 5.5671 5.5671 5.6763 5.6763 5.7660 5.7660 5.8181 5.8181 6.9499 6.9499 7.1193 7.1193 8.3526 8.3526 8.4278 8.4278 10.1015 10.1015 10.1307 10.1307 12.0705 12.0705 12.1301 12.1301 12.9055 12.9055 k = 0.2444 0.4234 0.2550 ( 5616 PWs) bands (ev): -18.5527 -18.5527 -18.5527 -18.5527 -5.2911 -5.2911 -5.2895 -5.2895 -3.4030 -3.4030 -3.3869 -3.3869 -3.2885 -3.2885 -3.2864 -3.2864 0.0728 0.0728 0.1196 0.1196 3.6430 3.6430 3.6723 3.6723 3.9869 3.9869 4.1486 4.1486 4.4975 4.4975 4.5335 4.5335 5.1528 5.1528 5.2961 5.2961 5.5765 5.5765 5.6738 5.6738 5.7907 5.7907 5.8281 5.8281 7.0079 7.0079 7.1888 7.1888 8.3373 8.3373 8.4112 8.4112 10.1152 10.1152 10.1413 10.1413 12.0175 12.0175 12.0698 12.0698 12.8197 12.8197 k = 0.2370 0.4106 0.2550 ( 5616 PWs) bands (ev): -18.5531 -18.5531 -18.5531 -18.5531 -5.2897 -5.2897 -5.2882 -5.2882 -3.4027 -3.4027 -3.3873 -3.3873 -3.2845 -3.2845 -3.2825 -3.2825 0.0584 0.0584 0.1024 0.1024 3.6306 3.6306 3.6663 3.6663 4.0003 4.0003 4.1356 4.1356 4.4978 4.4978 4.5377 4.5377 5.1524 5.1524 5.2975 5.2975 5.5873 5.5873 5.6701 5.6701 5.8213 5.8213 5.8461 5.8461 7.0673 7.0673 7.2582 7.2582 8.3211 8.3211 8.3942 8.3942 10.1325 10.1325 10.1552 10.1552 11.9657 11.9657 12.0114 12.0114 12.7284 12.7284 k = 0.2296 0.3977 0.2550 ( 5616 PWs) bands (ev): -18.5535 -18.5535 -18.5535 -18.5535 -5.2882 -5.2882 -5.2867 -5.2867 -3.4022 -3.4022 -3.3876 -3.3876 -3.2805 -3.2805 -3.2786 -3.2786 0.0430 0.0430 0.0841 0.0841 3.6182 3.6182 3.6585 3.6585 4.0126 4.0126 4.1249 4.1249 4.4967 4.4967 4.5402 4.5402 5.1535 5.1535 5.2973 5.2973 5.5985 5.5985 5.6658 5.6658 5.8589 5.8589 5.8720 5.8720 7.1274 7.1274 7.3264 7.3264 8.3044 8.3044 8.3774 8.3774 10.1535 10.1535 10.1726 10.1726 11.9153 11.9153 11.9549 11.9549 12.6338 12.6338 k = 0.2222 0.3849 0.2550 ( 5610 PWs) bands (ev): -18.5540 -18.5540 -18.5539 -18.5539 -5.2866 -5.2866 -5.2852 -5.2852 -3.4015 -3.4015 -3.3876 -3.3876 -3.2764 -3.2764 -3.2745 -3.2745 0.0268 0.0268 0.0650 0.0650 3.6059 3.6059 3.6491 3.6491 4.0239 4.0239 4.1163 4.1163 4.4942 4.4942 4.5408 4.5408 5.1563 5.1563 5.2959 5.2959 5.6089 5.6089 5.6611 5.6611 5.9043 5.9043 5.9054 5.9054 7.1875 7.1875 7.3926 7.3926 8.2877 8.2877 8.3617 8.3617 10.1786 10.1786 10.1936 10.1936 11.8663 11.8663 11.9004 11.9004 12.5376 12.5376 k = 0.2148 0.3721 0.2550 ( 5622 PWs) bands (ev): -18.5544 -18.5544 -18.5544 -18.5544 -5.2849 -5.2849 -5.2836 -5.2836 -3.4006 -3.4006 -3.3875 -3.3875 -3.2722 -3.2722 -3.2704 -3.2704 0.0098 0.0098 0.0452 0.0452 3.5938 3.5938 3.6381 3.6381 4.0341 4.0341 4.1098 4.1098 4.4905 4.4905 4.5392 4.5392 5.1609 5.1609 5.2937 5.2937 5.6180 5.6180 5.6565 5.6565 5.9464 5.9464 5.9576 5.9576 7.2468 7.2468 7.4555 7.4555 8.2718 8.2718 8.3482 8.3482 10.2076 10.2076 10.2184 10.2184 11.8189 11.8189 11.8479 11.8479 12.4409 12.4409 k = 0.2074 0.3592 0.2550 ( 5632 PWs) bands (ev): -18.5549 -18.5549 -18.5549 -18.5549 -5.2831 -5.2831 -5.2818 -5.2818 -3.3996 -3.3996 -3.3872 -3.3872 -3.2679 -3.2679 -3.2661 -3.2661 -0.0080 -0.0080 0.0246 0.0246 3.5819 3.5819 3.6260 3.6260 4.0433 4.0433 4.1052 4.1052 4.4857 4.4857 4.5352 4.5352 5.1671 5.1671 5.2910 5.2910 5.6256 5.6256 5.6520 5.6520 5.9948 5.9948 6.0185 6.0185 7.3043 7.3043 7.5137 7.5137 8.2576 8.2576 8.3385 8.3385 10.2408 10.2408 10.2470 10.2470 11.7730 11.7730 11.7975 11.7975 12.3447 12.3447 k = 0.2000 0.3464 0.2550 ( 5636 PWs) bands (ev): -18.5554 -18.5554 -18.5554 -18.5554 -5.2812 -5.2812 -5.2800 -5.2800 -3.3985 -3.3985 -3.3869 -3.3869 -3.2635 -3.2635 -3.2617 -3.2617 -0.0263 -0.0263 0.0034 0.0034 3.5702 3.5702 3.6129 3.6129 4.0516 4.0516 4.1021 4.1021 4.4799 4.4799 4.5291 4.5291 5.1747 5.1747 5.2882 5.2882 5.6315 5.6315 5.6476 5.6476 6.0506 6.0506 6.0868 6.0868 7.3589 7.3589 7.5653 7.5653 8.2462 8.2462 8.3342 8.3342 10.2780 10.2780 10.2793 10.2793 11.7287 11.7287 11.7491 11.7491 12.2497 12.2497 k = 0.1926 0.3336 0.2550 ( 5636 PWs) bands (ev): -18.5560 -18.5560 -18.5560 -18.5560 -5.2792 -5.2792 -5.2781 -5.2781 -3.3973 -3.3973 -3.3865 -3.3865 -3.2589 -3.2589 -3.2571 -3.2571 -0.0452 -0.0452 -0.0181 -0.0181 3.5588 3.5588 3.5992 3.5992 4.0591 4.0591 4.1003 4.1003 4.4734 4.4734 4.5209 4.5209 5.1833 5.1833 5.2853 5.2853 5.6360 5.6360 5.6434 5.6434 6.1137 6.1137 6.1618 6.1618 7.4091 7.4091 7.6084 7.6084 8.2390 8.2390 8.3376 8.3376 10.3153 10.3153 10.3193 10.3193 11.6859 11.6859 11.7029 11.7029 12.1566 12.1566 k = 0.1852 0.3208 0.2550 ( 5624 PWs) bands (ev): -18.5565 -18.5565 -18.5565 -18.5565 -5.2771 -5.2771 -5.2761 -5.2761 -3.3961 -3.3961 -3.3861 -3.3861 -3.2541 -3.2541 -3.2523 -3.2523 -0.0646 -0.0646 -0.0401 -0.0401 3.5476 3.5476 3.5851 3.5851 4.0660 4.0660 4.0996 4.0996 4.4661 4.4661 4.5110 4.5110 5.1928 5.1928 5.2828 5.2828 5.6391 5.6391 5.6393 5.6393 6.1839 6.1839 6.2431 6.2431 7.4534 7.4534 7.6410 7.6410 8.2376 8.2376 8.3503 8.3503 10.3547 10.3547 10.3645 10.3645 11.6447 11.6447 11.6586 11.6586 12.0660 12.0660 k = 0.1778 0.3079 0.2550 ( 5624 PWs) bands (ev): -18.5571 -18.5571 -18.5571 -18.5571 -5.2750 -5.2750 -5.2741 -5.2741 -3.3950 -3.3950 -3.3857 -3.3857 -3.2490 -3.2490 -3.2473 -3.2473 -0.0842 -0.0842 -0.0622 -0.0622 3.5367 3.5367 3.5708 3.5708 4.0724 4.0724 4.0998 4.0998 4.4583 4.4583 4.4997 4.4997 5.2027 5.2027 5.2806 5.2806 5.6353 5.6353 5.6410 5.6410 6.2609 6.2609 6.3300 6.3300 7.4903 7.4903 7.6623 7.6623 8.2437 8.2437 8.3737 8.3737 10.3973 10.3973 10.4133 10.4133 11.6047 11.6047 11.6163 11.6163 11.9784 11.9784 k = 0.1704 0.2951 0.2550 ( 5648 PWs) bands (ev): -18.5577 -18.5577 -18.5577 -18.5577 -5.2729 -5.2729 -5.2721 -5.2721 -3.3939 -3.3939 -3.3853 -3.3853 -3.2438 -3.2438 -3.2422 -3.2422 -0.1041 -0.1041 -0.0845 -0.0845 3.5261 3.5261 3.5566 3.5566 4.0782 4.0782 4.1006 4.1006 4.4502 4.4502 4.4874 4.4874 5.2128 5.2128 5.2790 5.2790 5.6312 5.6312 5.6417 5.6417 6.3443 6.3443 6.4222 6.4222 7.5184 7.5184 7.6720 7.6720 8.2588 8.2588 8.4078 8.4078 10.4427 10.4427 10.4656 10.4656 11.5660 11.5660 11.5758 11.5758 11.8947 11.8947 k = 0.1630 0.2823 0.2550 ( 5644 PWs) bands (ev): -18.5583 -18.5583 -18.5583 -18.5583 -5.2708 -5.2708 -5.2700 -5.2700 -3.3928 -3.3928 -3.3851 -3.3851 -3.2383 -3.2383 -3.2367 -3.2367 -0.1242 -0.1242 -0.1068 -0.1068 3.5157 3.5157 3.5426 3.5426 4.0838 4.0838 4.1018 4.1018 4.4417 4.4417 4.4743 4.4743 5.2229 5.2229 5.2780 5.2780 5.6272 5.6272 5.6414 5.6414 6.4339 6.4339 6.5191 6.5191 7.5370 7.5370 7.6713 7.6713 8.2835 8.2835 8.4516 8.4516 10.4903 10.4903 10.5209 10.5209 11.5281 11.5281 11.5367 11.5367 11.8157 11.8157 k = 0.1556 0.2694 0.2550 ( 5628 PWs) bands (ev): -18.5589 -18.5589 -18.5589 -18.5589 -5.2686 -5.2686 -5.2679 -5.2679 -3.3919 -3.3919 -3.3849 -3.3849 -3.2325 -3.2325 -3.2311 -3.2311 -0.1442 -0.1442 -0.1289 -0.1289 3.5057 3.5057 3.5291 3.5291 4.0890 4.0890 4.1035 4.1035 4.4330 4.4330 4.4610 4.4610 5.2329 5.2329 5.2777 5.2777 5.6231 5.6231 5.6402 5.6402 6.5290 6.5290 6.6203 6.6203 7.5465 7.5465 7.6620 7.6620 8.3179 8.3179 8.5035 8.5035 10.5393 10.5393 10.5787 10.5787 11.4907 11.4907 11.4985 11.4985 11.7427 11.7427 k = 0.1481 0.2566 0.2550 ( 5628 PWs) bands (ev): -18.5595 -18.5595 -18.5595 -18.5595 -5.2665 -5.2665 -5.2658 -5.2658 -3.3911 -3.3911 -3.3848 -3.3848 -3.2266 -3.2266 -3.2253 -3.2253 -0.1643 -0.1643 -0.1509 -0.1509 3.4959 3.4959 3.5159 3.5159 4.0939 4.0939 4.1054 4.1054 4.4242 4.4242 4.4475 4.4475 5.2427 5.2427 5.2782 5.2782 5.6189 5.6189 5.6380 5.6380 6.6292 6.6292 6.7251 6.7251 7.5478 7.5478 7.6464 7.6464 8.3612 8.3612 8.5616 8.5616 10.5885 10.5885 10.6382 10.6382 11.4532 11.4532 11.4606 11.4606 11.6775 11.6775 k = 0.1407 0.2438 0.2550 ( 5640 PWs) bands (ev): -18.5601 -18.5601 -18.5601 -18.5601 -5.2643 -5.2643 -5.2638 -5.2638 -3.3904 -3.3904 -3.3849 -3.3849 -3.2204 -3.2204 -3.2192 -3.2192 -0.1841 -0.1841 -0.1726 -0.1726 3.4864 3.4864 3.5034 3.5034 4.0986 4.0986 4.1074 4.1074 4.4153 4.4153 4.4341 4.4341 5.2522 5.2522 5.2795 5.2795 5.6145 5.6145 5.6349 5.6349 6.7337 6.7337 6.8329 6.8329 7.5429 7.5429 7.6264 7.6264 8.4120 8.4120 8.6241 8.6241 10.6362 10.6362 10.6983 10.6983 11.4154 11.4154 11.4221 11.4221 11.6222 11.6222 k = 0.1333 0.2309 0.2550 ( 5628 PWs) bands (ev): -18.5607 -18.5607 -18.5607 -18.5607 -5.2622 -5.2622 -5.2618 -5.2618 -3.3899 -3.3899 -3.3851 -3.3851 -3.2140 -3.2140 -3.2130 -3.2130 -0.2037 -0.2037 -0.1938 -0.1938 3.4773 3.4773 3.4914 3.4914 4.1031 4.1031 4.1096 4.1096 4.4066 4.4066 4.4211 4.4211 5.2615 5.2615 5.2815 5.2815 5.6100 5.6100 5.6311 5.6311 6.8417 6.8417 6.9425 6.9425 7.5340 7.5340 7.6041 7.6041 8.4687 8.4687 8.6894 8.6894 10.6799 10.6799 10.7569 10.7569 11.3772 11.3772 11.3834 11.3834 11.5790 11.5790 k = 0.1259 0.2181 0.2550 ( 5636 PWs) bands (ev): -18.5613 -18.5613 -18.5613 -18.5613 -5.2602 -5.2602 -5.2598 -5.2598 -3.3895 -3.3895 -3.3853 -3.3853 -3.2075 -3.2075 -3.2066 -3.2066 -0.2230 -0.2230 -0.2146 -0.2146 3.4685 3.4685 3.4800 3.4800 4.1073 4.1073 4.1119 4.1119 4.3979 4.3979 4.4087 4.4087 5.2706 5.2706 5.2844 5.2844 5.6053 5.6053 5.6264 5.6264 6.9516 6.9516 7.0520 7.0520 7.5244 7.5244 7.5818 7.5818 8.5300 8.5300 8.7564 8.7564 10.7158 10.7158 10.8111 10.8111 11.3400 11.3400 11.3466 11.3466 11.5488 11.5488 k = 0.1185 0.2053 0.2550 ( 5624 PWs) bands (ev): -18.5619 -18.5619 -18.5619 -18.5619 -5.2582 -5.2582 -5.2578 -5.2578 -3.3893 -3.3893 -3.3857 -3.3857 -3.2009 -3.2009 -3.2001 -3.2001 -0.2418 -0.2418 -0.2347 -0.2347 3.4600 3.4600 3.4693 3.4693 4.1113 4.1113 4.1143 4.1143 4.3894 4.3894 4.3969 4.3969 5.2794 5.2794 5.2882 5.2882 5.6003 5.6003 5.6210 5.6210 7.0610 7.0610 7.1570 7.1570 7.5193 7.5193 7.5627 7.5627 8.5945 8.5945 8.8239 8.8239 10.7393 10.7393 10.8554 10.8554 11.3074 11.3074 11.3157 11.3157 11.5320 11.5320 k = 0.1111 0.1925 0.2550 ( 5628 PWs) bands (ev): -18.5624 -18.5624 -18.5624 -18.5624 -5.2563 -5.2563 -5.2560 -5.2560 -3.3892 -3.3892 -3.3862 -3.3862 -3.1942 -3.1942 -3.1936 -3.1936 -0.2600 -0.2600 -0.2542 -0.2542 3.4519 3.4519 3.4593 3.4593 4.1151 4.1151 4.1167 4.1167 4.3811 4.3811 4.3858 4.3858 5.2881 5.2881 5.2928 5.2928 5.5951 5.5951 5.6149 5.6149 7.1642 7.1642 7.2469 7.2469 7.5301 7.5301 7.5528 7.5528 8.6611 8.6611 8.8911 8.8911 10.7454 10.7454 10.8814 10.8814 11.2863 11.2863 11.2951 11.2951 11.5286 11.5286 k = 0.1037 0.1796 0.2550 ( 5620 PWs) bands (ev): -18.5630 -18.5630 -18.5630 -18.5630 -5.2545 -5.2545 -5.2542 -5.2542 -3.3893 -3.3893 -3.3868 -3.3868 -3.1876 -3.1876 -3.1870 -3.1870 -0.2777 -0.2777 -0.2729 -0.2729 3.4441 3.4441 3.4499 3.4499 4.1186 4.1186 4.1191 4.1191 4.3732 4.3732 4.3756 4.3756 5.2967 5.2967 5.2981 5.2981 5.5896 5.5896 5.6082 5.6082 7.2490 7.2490 7.3031 7.3031 7.5648 7.5648 7.5760 7.5760 8.7290 8.7290 8.9572 8.9572 10.7309 10.7309 10.8804 10.8804 11.2838 11.2838 11.2868 11.2868 11.5389 11.5389 k = 0.0963 0.1668 0.2550 ( 5616 PWs) bands (ev): -18.5635 -18.5635 -18.5635 -18.5635 -5.2527 -5.2527 -5.2525 -5.2525 -3.3894 -3.3894 -3.3874 -3.3874 -3.1810 -3.1810 -3.1805 -3.1805 -0.2945 -0.2945 -0.2907 -0.2907 3.4368 3.4368 3.4412 3.4412 4.1215 4.1215 4.1219 4.1219 4.3656 4.3656 4.3663 4.3663 5.3043 5.3043 5.3052 5.3052 5.5838 5.5838 5.6009 5.6009 7.2979 7.2979 7.3203 7.3203 7.6162 7.6162 7.6629 7.6629 8.7972 8.7972 9.0215 9.0215 10.6963 10.6963 10.8499 10.8499 11.2893 11.2893 11.2999 11.2999 11.5631 11.5631 k = 0.0889 0.1540 0.2550 ( 5614 PWs) bands (ev): -18.5640 -18.5640 -18.5640 -18.5640 -5.2511 -5.2511 -5.2509 -5.2509 -3.3897 -3.3897 -3.3880 -3.3880 -3.1745 -3.1745 -3.1742 -3.1742 -0.3106 -0.3106 -0.3076 -0.3076 3.4298 3.4298 3.4331 3.4331 4.1238 4.1238 4.1248 4.1248 4.3578 4.3578 4.3584 4.3584 5.3111 5.3111 5.3137 5.3137 5.5777 5.5777 5.5931 5.5931 7.3101 7.3101 7.3149 7.3149 7.7080 7.7080 7.7744 7.7744 8.8650 8.8650 9.0833 9.0833 10.6449 10.6449 10.7955 10.7955 11.2993 11.2993 11.3267 11.3267 11.5993 11.5993 k = 0.0815 0.1411 0.2550 ( 5616 PWs) bands (ev): -18.5645 -18.5645 -18.5645 -18.5645 -5.2495 -5.2495 -5.2494 -5.2494 -3.3900 -3.3900 -3.3887 -3.3887 -3.1682 -3.1682 -3.1680 -3.1680 -0.3257 -0.3257 -0.3234 -0.3234 3.4233 3.4233 3.4258 3.4258 4.1261 4.1261 4.1274 4.1274 4.3503 4.3503 4.3516 4.3516 5.3186 5.3186 5.3222 5.3222 5.5713 5.5713 5.5848 5.5848 7.3002 7.3002 7.3020 7.3020 7.8240 7.8240 7.8976 7.8976 8.9318 8.9318 9.1419 9.1419 10.5802 10.5802 10.7241 10.7241 11.3143 11.3143 11.3557 11.3557 11.6284 11.6284 k = 0.0741 0.1283 0.2550 ( 5614 PWs) bands (ev): -18.5649 -18.5649 -18.5649 -18.5649 -5.2481 -5.2481 -5.2480 -5.2480 -3.3904 -3.3904 -3.3894 -3.3894 -3.1623 -3.1623 -3.1620 -3.1620 -0.3399 -0.3399 -0.3381 -0.3381 3.4173 3.4173 3.4190 3.4190 4.1283 4.1283 4.1298 4.1298 4.3437 4.3437 4.3454 4.3454 5.3267 5.3267 5.3307 5.3307 5.5646 5.5646 5.5761 5.5761 7.2818 7.2818 7.2856 7.2856 7.9521 7.9521 8.0269 8.0269 8.9969 8.9969 9.1966 9.1966 10.5053 10.5053 10.6401 10.6401 11.3331 11.3331 11.3830 11.3830 11.6680 11.6680 k = 0.0667 0.1155 0.2550 ( 5626 PWs) bands (ev): -18.5653 -18.5653 -18.5653 -18.5653 -5.2468 -5.2468 -5.2467 -5.2467 -3.3908 -3.3908 -3.3901 -3.3901 -3.1566 -3.1566 -3.1564 -3.1564 -0.3530 -0.3530 -0.3517 -0.3517 3.4117 3.4117 3.4129 3.4129 4.1304 4.1304 4.1318 4.1318 4.3379 4.3379 4.3397 4.3397 5.3352 5.3352 5.3392 5.3392 5.5576 5.5576 5.5671 5.5671 7.2624 7.2624 7.2662 7.2662 8.0871 8.0871 8.1598 8.1598 9.0597 9.0597 9.2468 9.2468 10.4222 10.4222 10.5462 10.5462 11.3557 11.3557 11.4086 11.4086 11.7127 11.7127 k = 0.0593 0.1026 0.2550 ( 5636 PWs) bands (ev): -18.5657 -18.5657 -18.5657 -18.5657 -5.2456 -5.2456 -5.2456 -5.2456 -3.3912 -3.3912 -3.3907 -3.3907 -3.1513 -3.1513 -3.1512 -3.1512 -0.3649 -0.3649 -0.3640 -0.3640 3.4066 3.4066 3.4074 3.4074 4.1323 4.1323 4.1335 4.1335 4.3330 4.3330 4.3346 4.3346 5.3441 5.3441 5.3478 5.3478 5.5504 5.5504 5.5579 5.5579 7.2432 7.2432 7.2464 7.2464 8.2262 8.2262 8.2949 8.2949 9.1194 9.1194 9.2918 9.2918 10.3319 10.3319 10.4440 10.4440 11.3825 11.3825 11.4341 11.4341 11.7569 11.7569 k = 0.0519 0.0898 0.2550 ( 5648 PWs) bands (ev): -18.5661 -18.5661 -18.5661 -18.5661 -5.2446 -5.2446 -5.2446 -5.2446 -3.3916 -3.3916 -3.3913 -3.3913 -3.1465 -3.1465 -3.1464 -3.1464 -0.3756 -0.3756 -0.3750 -0.3750 3.4021 3.4021 3.4026 3.4026 4.1340 4.1340 4.1350 4.1350 4.3287 4.3287 4.3301 4.3301 5.3531 5.3531 5.3563 5.3563 5.5430 5.5430 5.5487 5.5487 7.2251 7.2251 7.2275 7.2275 8.3680 8.3680 8.4313 8.4313 9.1756 9.1756 9.3311 9.3311 10.2355 10.2355 10.3344 10.3344 11.4138 11.4138 11.4611 11.4611 11.7954 11.7954 k = 0.0444 0.0770 0.2550 ( 5648 PWs) bands (ev): -18.5663 -18.5663 -18.5663 -18.5663 -5.2437 -5.2437 -5.2437 -5.2437 -3.3920 -3.3920 -3.3918 -3.3918 -3.1422 -3.1422 -3.1422 -3.1422 -0.3851 -0.3851 -0.3847 -0.3847 3.3981 3.3981 3.3985 3.3985 4.1355 4.1355 4.1362 4.1362 4.3252 4.3252 4.3262 4.3262 5.3622 5.3622 5.3647 5.3647 5.5355 5.5355 5.5396 5.5396 7.2085 7.2085 7.2101 7.2101 8.5117 8.5117 8.5682 8.5682 9.2275 9.2275 9.3641 9.3641 10.1336 10.1336 10.2183 10.2183 11.4498 11.4498 11.4905 11.4905 11.8253 11.8253 k = 0.0370 0.0642 0.2550 ( 5644 PWs) bands (ev): -18.5666 -18.5666 -18.5666 -18.5666 -5.2429 -5.2429 -5.2429 -5.2429 -3.3924 -3.3924 -3.3923 -3.3923 -3.1385 -3.1385 -3.1385 -3.1385 -0.3932 -0.3932 -0.3929 -0.3929 3.3947 3.3947 3.3949 3.3949 4.1367 4.1367 4.1372 4.1372 4.3223 4.3223 4.3229 4.3229 5.3710 5.3710 5.3727 5.3727 5.5282 5.5282 5.5309 5.5309 7.1939 7.1939 7.1949 7.1949 8.6564 8.6564 8.7051 8.7051 9.2746 9.2746 9.3902 9.3902 10.0268 10.0268 10.0968 10.0968 11.4900 11.4900 11.5228 11.5228 11.8458 11.8458 k = 0.0296 0.0513 0.2550 ( 5648 PWs) bands (ev): -18.5668 -18.5668 -18.5668 -18.5668 -5.2423 -5.2423 -5.2423 -5.2423 -3.3928 -3.3928 -3.3927 -3.3927 -3.1354 -3.1354 -3.1354 -3.1354 -0.3999 -0.3999 -0.3997 -0.3997 3.3919 3.3919 3.3920 3.3920 4.1377 4.1377 4.1380 4.1380 4.3199 4.3199 4.3203 4.3203 5.3793 5.3793 5.3803 5.3803 5.5212 5.5212 5.5228 5.5228 7.1815 7.1815 7.1821 7.1821 8.8012 8.8012 8.8409 8.8409 9.3160 9.3160 9.4087 9.4087 9.9162 9.9162 9.9709 9.9709 11.5337 11.5337 11.5577 11.5577 11.8585 11.8585 k = 0.0222 0.0385 0.2550 ( 5648 PWs) bands (ev): -18.5670 -18.5670 -18.5670 -18.5670 -5.2418 -5.2418 -5.2418 -5.2418 -3.3930 -3.3930 -3.3930 -3.3930 -3.1329 -3.1329 -3.1329 -3.1329 -0.4051 -0.4051 -0.4051 -0.4051 3.3897 3.3897 3.3898 3.3898 4.1385 4.1385 4.1386 4.1386 4.3181 4.3181 4.3183 4.3183 5.3865 5.3865 5.3870 5.3870 5.5149 5.5149 5.5156 5.5156 7.1717 7.1717 7.1719 7.1719 8.9450 8.9450 8.9746 8.9746 9.3510 9.3510 9.4189 9.4189 9.8036 9.8036 9.8425 9.8425 11.5791 11.5791 11.5941 11.5941 11.8656 11.8656 k = 0.0148 0.0257 0.2550 ( 5640 PWs) bands (ev): -18.5671 -18.5671 -18.5671 -18.5671 -5.2414 -5.2414 -5.2414 -5.2414 -3.3932 -3.3932 -3.3932 -3.3932 -3.1311 -3.1311 -3.1311 -3.1311 -0.4089 -0.4089 -0.4089 -0.4089 3.3881 3.3881 3.3881 3.3881 4.1390 4.1390 4.1391 4.1391 4.3168 4.3168 4.3169 4.3169 5.3923 5.3923 5.3925 5.3925 5.5098 5.5098 5.5100 5.5100 7.1645 7.1645 7.1646 7.1646 9.0856 9.0856 9.1042 9.1042 9.3774 9.3774 9.4186 9.4186 9.6928 9.6928 9.7156 9.7156 11.6227 11.6227 11.6294 11.6294 11.8683 11.8683 k = 0.0074 0.0128 0.2550 ( 5636 PWs) bands (ev): -18.5672 -18.5672 -18.5672 -18.5672 -5.2412 -5.2412 -5.2412 -5.2412 -3.3934 -3.3934 -3.3934 -3.3934 -3.1301 -3.1301 -3.1301 -3.1301 -0.4112 -0.4112 -0.4112 -0.4112 3.3872 3.3872 3.3872 3.3872 4.1394 4.1394 4.1394 4.1394 4.3161 4.3161 4.3161 4.3161 5.3961 5.3961 5.3961 5.3961 5.5063 5.5063 5.5063 5.5063 7.1601 7.1601 7.1601 7.1601 9.2170 9.2170 9.2239 9.2239 9.3875 9.3875 9.4010 9.4010 9.5967 9.5967 9.6033 9.6033 11.6571 11.6571 11.6583 11.6583 11.8658 11.8661 k = 0.0000 0.0000 0.2550 ( 5628 PWs) bands (ev): -18.5672 -18.5672 -18.5672 -18.5672 -5.2411 -5.2411 -5.2411 -5.2411 -3.3934 -3.3934 -3.3934 -3.3934 -3.1297 -3.1297 -3.1297 -3.1297 -0.4120 -0.4120 -0.4120 -0.4120 3.3869 3.3869 3.3869 3.3869 4.1395 4.1395 4.1395 4.1395 4.3158 4.3158 4.3158 4.3158 5.3974 5.3974 5.3974 5.3974 5.5051 5.5051 5.5051 5.5051 7.1587 7.1587 7.1587 7.1587 9.3000 9.3000 9.3000 9.3000 9.3683 9.3683 9.3683 9.3683 9.5523 9.5523 9.5523 9.5523 11.6707 11.6707 11.6707 11.6707 11.8620 11.8620 k = 0.5000 0.2887 0.2550 ( 5648 PWs) bands (ev): -18.5524 -18.5524 -18.5524 -18.5524 -5.2933 -5.2933 -5.2933 -5.2933 -3.4296 -3.4296 -3.4296 -3.4296 -3.2476 -3.2476 -3.2476 -3.2476 0.0986 0.0986 0.0986 0.0986 3.8017 3.8017 3.8017 3.8017 4.0009 4.0009 4.0009 4.0009 4.4037 4.4037 4.4037 4.4037 5.2335 5.2335 5.2335 5.2335 5.5155 5.5155 5.5155 5.5155 5.6756 5.6756 5.6756 5.6756 7.6221 7.6221 7.6221 7.6221 8.3938 8.3938 8.3938 8.3938 9.9080 9.9080 9.9080 9.9080 11.1308 11.1308 11.1308 11.1308 13.6649 13.6649 k = 0.5000 0.2887 0.2400 ( 5660 PWs) bands (ev): -18.5529 -18.5529 -18.5520 -18.5520 -5.2942 -5.2942 -5.2924 -5.2924 -3.4317 -3.4317 -3.4277 -3.4277 -3.2511 -3.2511 -3.2437 -3.2437 0.0798 0.0798 0.1174 0.1174 3.7927 3.7927 3.8102 3.8102 3.9945 3.9945 4.0071 4.0071 4.3790 4.3790 4.4292 4.4292 5.2271 5.2271 5.2400 5.2400 5.5039 5.5039 5.5271 5.5271 5.6675 5.6675 5.6842 5.6842 7.5848 7.5848 7.6600 7.6600 8.3740 8.3740 8.4117 8.4117 9.8819 9.8819 9.9291 9.9291 11.1315 11.1315 11.1437 11.1437 13.6396 13.6396 k = 0.5000 0.2887 0.2250 ( 5656 PWs) bands (ev): -18.5533 -18.5533 -18.5515 -18.5515 -5.2951 -5.2951 -5.2916 -5.2916 -3.4341 -3.4341 -3.4262 -3.4262 -3.2542 -3.2542 -3.2393 -3.2393 0.0612 0.0612 0.1361 0.1361 3.7834 3.7834 3.8182 3.8182 3.9880 3.9880 4.0131 4.0131 4.3554 4.3554 4.4554 4.4554 5.2208 5.2208 5.2464 5.2464 5.4922 5.4922 5.5384 5.5384 5.6597 5.6597 5.6931 5.6931 7.5483 7.5483 7.6980 7.6980 8.3525 8.3525 8.4278 8.4278 9.8520 9.8520 9.9443 9.9443 11.1463 11.1463 11.1694 11.1694 13.6018 13.6018 k = 0.5000 0.2887 0.2100 ( 5644 PWs) bands (ev): -18.5538 -18.5538 -18.5511 -18.5511 -5.2960 -5.2960 -5.2908 -5.2908 -3.4367 -3.4367 -3.4250 -3.4250 -3.2567 -3.2567 -3.2347 -3.2347 0.0430 0.0430 0.1545 0.1545 3.7736 3.7736 3.8257 3.8257 3.9814 3.9814 4.0189 4.0189 4.3330 4.3330 4.4819 4.4819 5.2146 5.2146 5.2528 5.2528 5.4806 5.4806 5.5494 5.5494 5.6524 5.6524 5.7023 5.7023 7.5128 7.5128 7.7360 7.7360 8.3294 8.3294 8.4420 8.4420 9.8198 9.8198 9.9531 9.9531 11.1750 11.1750 11.2069 11.2069 13.5536 13.5536 k = 0.5000 0.2887 0.1950 ( 5630 PWs) bands (ev): -18.5542 -18.5542 -18.5507 -18.5507 -5.2970 -5.2970 -5.2901 -5.2901 -3.4394 -3.4394 -3.4242 -3.4242 -3.2587 -3.2587 -3.2299 -3.2299 0.0253 0.0253 0.1724 0.1724 3.7635 3.7635 3.8327 3.8327 3.9748 3.9748 4.0244 4.0244 4.3120 4.3120 4.5083 4.5083 5.2084 5.2084 5.2591 5.2591 5.4692 5.4692 5.5600 5.5600 5.6457 5.6457 5.7117 5.7117 7.4787 7.4787 7.7735 7.7735 8.3051 8.3051 8.4545 8.4545 9.7866 9.7866 9.9557 9.9557 11.2157 11.2157 11.2556 11.2556 13.4981 13.4981 k = 0.5000 0.2887 0.1800 ( 5628 PWs) bands (ev): -18.5546 -18.5546 -18.5503 -18.5503 -5.2979 -5.2979 -5.2894 -5.2894 -3.4422 -3.4422 -3.4237 -3.4237 -3.2602 -3.2602 -3.2250 -3.2250 0.0082 0.0082 0.1898 0.1898 3.7533 3.7533 3.8393 3.8393 3.9682 3.9682 4.0297 4.0297 4.2926 4.2926 4.5346 4.5346 5.2024 5.2024 5.2653 5.2653 5.4579 5.4579 5.5699 5.5699 5.6395 5.6395 5.7213 5.7213 7.4461 7.4461 7.8103 7.8103 8.2797 8.2797 8.4653 8.4653 9.7537 9.7537 9.9529 9.9529 11.2657 11.2657 11.3158 11.3158 13.4387 13.4387 k = 0.5000 0.2887 0.1650 ( 5620 PWs) bands (ev): -18.5550 -18.5550 -18.5499 -18.5499 -5.2988 -5.2988 -5.2888 -5.2888 -3.4450 -3.4450 -3.4236 -3.4236 -3.2612 -3.2612 -3.2201 -3.2201 -0.0081 -0.0081 0.2064 0.2064 3.7429 3.7429 3.8454 3.8454 3.9618 3.9618 4.0346 4.0346 4.2747 4.2747 4.5602 4.5602 5.1966 5.1966 5.2714 5.2714 5.4470 5.4470 5.5791 5.5791 5.6341 5.6341 5.7309 5.7309 7.4152 7.4152 7.8460 7.8460 8.2537 8.2537 8.4745 8.4745 9.7218 9.7218 9.9459 9.9459 11.3216 11.3216 11.3877 11.3877 13.3784 13.3784 k = 0.5000 0.2887 0.1500 ( 5638 PWs) bands (ev): -18.5553 -18.5553 -18.5495 -18.5495 -5.2996 -5.2996 -5.2882 -5.2882 -3.4477 -3.4477 -3.4237 -3.4237 -3.2618 -3.2618 -3.2152 -3.2152 -0.0235 -0.0235 0.2221 0.2221 3.7326 3.7326 3.8511 3.8511 3.9555 3.9555 4.0392 4.0392 4.2585 4.2585 4.5850 4.5850 5.1910 5.1910 5.2774 5.2774 5.4364 5.4364 5.5872 5.5872 5.6296 5.6296 5.7406 5.7406 7.3863 7.3863 7.8802 7.8802 8.2275 8.2275 8.4822 8.4822 9.6918 9.6918 9.9357 9.9357 11.3808 11.3808 11.4710 11.4710 13.3192 13.3192 k = 0.5000 0.2887 0.1350 ( 5634 PWs) bands (ev): -18.5557 -18.5557 -18.5492 -18.5492 -5.3005 -5.3005 -5.2877 -5.2877 -3.4503 -3.4503 -3.4241 -3.4241 -3.2620 -3.2620 -3.2106 -3.2106 -0.0379 -0.0379 0.2368 0.2368 3.7225 3.7225 3.8564 3.8564 3.9495 3.9495 4.0435 4.0435 4.2440 4.2440 4.6087 4.6087 5.1857 5.1857 5.2832 5.2832 5.4262 5.4262 5.5937 5.5937 5.6266 5.6266 5.7500 5.7500 7.3596 7.3596 7.9126 7.9126 8.2016 8.2016 8.4887 8.4887 9.6640 9.6640 9.9235 9.9235 11.4412 11.4412 11.5644 11.5644 13.2627 13.2627 k = 0.5000 0.2887 0.1200 ( 5634 PWs) bands (ev): -18.5560 -18.5560 -18.5489 -18.5489 -5.3013 -5.3013 -5.2873 -5.2873 -3.4528 -3.4528 -3.4247 -3.4247 -3.2619 -3.2619 -3.2061 -3.2061 -0.0510 -0.0510 0.2503 0.2503 3.7128 3.7128 3.8613 3.8613 3.9438 3.9438 4.0474 4.0474 4.2311 4.2311 4.6308 4.6308 5.1807 5.1807 5.2887 5.2887 5.4165 5.4165 5.5978 5.5978 5.6256 5.6256 5.7592 5.7592 7.3352 7.3352 7.9428 7.9428 8.1766 8.1766 8.4941 8.4941 9.6389 9.6389 9.9104 9.9104 11.5015 11.5015 11.6665 11.6665 13.2099 13.2099 k = 0.5000 0.2887 0.1050 ( 5630 PWs) bands (ev): -18.5563 -18.5563 -18.5486 -18.5486 -5.3020 -5.3020 -5.2869 -5.2869 -3.4551 -3.4551 -3.4254 -3.4254 -3.2616 -3.2616 -3.2020 -3.2020 -0.0629 -0.0629 0.2626 0.2626 3.7036 3.7036 3.8658 3.8658 3.9384 3.9384 4.0509 4.0509 4.2198 4.2198 4.6512 4.6512 5.1761 5.1761 5.2941 5.2941 5.4074 5.4074 5.5993 5.5993 5.6270 5.6270 5.7679 5.7679 7.3132 7.3132 7.9705 7.9705 8.1529 8.1529 8.4984 8.4984 9.6166 9.6166 9.8972 9.8972 11.5601 11.5601 11.7757 11.7757 13.1616 13.1616 k = 0.5000 0.2887 0.0900 ( 5628 PWs) bands (ev): -18.5565 -18.5565 -18.5483 -18.5483 -5.3026 -5.3026 -5.2865 -5.2865 -3.4571 -3.4571 -3.4261 -3.4261 -3.2611 -3.2611 -3.1983 -3.1983 -0.0734 -0.0734 0.2735 0.2735 3.6953 3.6953 3.8699 3.8699 3.9334 3.9334 4.0541 4.0541 4.2101 4.2101 4.6696 4.6696 5.1719 5.1719 5.2992 5.2992 5.3989 5.3989 5.5988 5.5988 5.6300 5.6300 5.7760 5.7760 7.2940 7.2940 7.9953 7.9953 8.1311 8.1311 8.5019 8.5019 9.5972 9.5972 9.8846 9.8846 11.6156 11.6156 11.8907 11.8907 13.1185 13.1185 k = 0.5000 0.2887 0.0750 ( 5626 PWs) bands (ev): -18.5568 -18.5568 -18.5481 -18.5481 -5.3032 -5.3032 -5.2862 -5.2862 -3.4589 -3.4589 -3.4268 -3.4268 -3.2606 -3.2606 -3.1950 -3.1950 -0.0825 -0.0825 0.2828 0.2828 3.6878 3.6878 3.8736 3.8736 3.9289 3.9289 4.0569 4.0569 4.2020 4.2020 4.6857 4.6857 5.1681 5.1681 5.3039 5.3039 5.3912 5.3912 5.5974 5.5974 5.6336 5.6336 5.7833 5.7833 7.2774 7.2774 8.0169 8.0169 8.1118 8.1118 8.5046 8.5046 9.5809 9.5809 9.8732 9.8732 11.6663 11.6663 12.0101 12.0101 13.0812 13.0812 k = 0.5000 0.2887 0.0600 ( 5624 PWs) bands (ev): -18.5569 -18.5569 -18.5479 -18.5479 -5.3037 -5.3037 -5.2860 -5.2860 -3.4604 -3.4604 -3.4275 -3.4275 -3.2601 -3.2601 -3.1922 -3.1922 -0.0900 -0.0900 0.2906 0.2906 3.6815 3.6815 3.8768 3.8768 3.9250 3.9250 4.0592 4.0592 4.1954 4.1954 4.6992 4.6992 5.1649 5.1649 5.3083 5.3083 5.3844 5.3844 5.5958 5.5958 5.6370 5.6370 5.7895 5.7895 7.2637 7.2637 8.0350 8.0350 8.0952 8.0952 8.5067 8.5067 9.5675 9.5675 9.8634 9.8634 11.7107 11.7107 12.1326 12.1326 13.0500 13.0508 k = 0.5000 0.2887 0.0450 ( 5622 PWs) bands (ev): -18.5571 -18.5571 -18.5478 -18.5478 -5.3041 -5.3041 -5.2858 -5.2858 -3.4616 -3.4616 -3.4280 -3.4280 -3.2596 -3.2596 -3.1901 -3.1901 -0.0959 -0.0959 0.2968 0.2968 3.6765 3.6765 3.8796 3.8796 3.9216 3.9216 4.0610 4.0610 4.1902 4.1902 4.7100 4.7100 5.1623 5.1623 5.3121 5.3121 5.3786 5.3786 5.5943 5.5943 5.6399 5.6399 5.7945 5.7945 7.2530 7.2530 8.0493 8.0493 8.0820 8.0820 8.5082 8.5082 9.5571 9.5571 9.8555 9.8555 11.7473 11.7473 12.2567 12.2567 13.0094 13.0095 k = 0.5000 0.2887 0.0300 ( 5622 PWs) bands (ev): -18.5572 -18.5572 -18.5477 -18.5477 -5.3043 -5.3043 -5.2857 -5.2857 -3.4624 -3.4624 -3.4285 -3.4285 -3.2593 -3.2593 -3.1885 -3.1885 -0.1002 -0.1002 0.3012 0.3012 3.6728 3.6728 3.8818 3.8818 3.9190 3.9190 4.0623 4.0623 4.1866 4.1866 4.7178 4.7178 5.1605 5.1605 5.3152 5.3152 5.3741 5.3741 5.5932 5.5932 5.6420 5.6420 5.7982 5.7982 7.2453 7.2453 8.0594 8.0594 8.0725 8.0725 8.5093 8.5093 9.5497 9.5497 9.8497 9.8497 11.7745 11.7745 12.3798 12.3798 12.9029 12.9029 k = 0.5000 0.2887 0.0150 ( 5624 PWs) bands (ev): -18.5572 -18.5572 -18.5476 -18.5476 -5.3045 -5.3045 -5.2856 -5.2856 -3.4630 -3.4630 -3.4287 -3.4287 -3.2590 -3.2590 -3.1875 -3.1875 -0.1027 -0.1027 0.3038 0.3038 3.6705 3.6705 3.8832 3.8832 3.9173 3.9173 4.0632 4.0632 4.1844 4.1844 4.7226 4.7226 5.1593 5.1593 5.3172 5.3172 5.3712 5.3712 5.5925 5.5925 5.6433 5.6433 5.8005 5.8005 7.2406 7.2406 8.0638 8.0638 8.0685 8.0685 8.5099 8.5099 9.5453 9.5453 9.8461 9.8461 11.7914 11.7914 12.4955 12.4955 12.7966 12.7966 k = 0.5000 0.2887-0.0000 ( 5634 PWs) bands (ev): -18.5573 -18.5573 -18.5476 -18.5476 -5.3045 -5.3045 -5.2856 -5.2856 -3.4631 -3.4631 -3.4288 -3.4288 -3.2590 -3.2590 -3.1872 -3.1872 -0.1036 -0.1036 0.3047 0.3047 3.6698 3.6698 3.8836 3.8836 3.9168 3.9168 4.0634 4.0634 4.1836 4.1836 4.7242 4.7242 5.1589 5.1589 5.3179 5.3179 5.3702 5.3702 5.5923 5.5923 5.6438 5.6438 5.8013 5.8013 7.2390 7.2390 8.0631 8.0631 8.0693 8.0693 8.5101 8.5101 9.5438 9.5438 9.8449 9.8449 11.7971 11.7971 12.5631 12.5631 12.7320 12.7320 k = 0.3333 0.5774-0.0000 ( 5589 PWs) bands (ev): -18.5553 -18.5553 -18.5458 -18.5458 -5.3065 -5.3065 -5.2913 -5.2913 -3.4422 -3.4422 -3.3890 -3.3890 -3.3177 -3.3177 -3.2493 -3.2493 0.1528 0.1528 0.2139 0.2139 3.6976 3.6976 3.7612 3.7612 3.8338 3.8338 4.3061 4.3061 4.4350 4.4350 4.5017 4.5017 5.1651 5.1651 5.2364 5.2364 5.6078 5.6078 5.6652 5.6652 5.7217 5.7217 5.9773 5.9773 5.9954 5.9954 7.1791 7.1791 8.3343 8.3343 8.3852 8.3852 10.5217 10.5217 10.5317 10.5317 11.7162 11.7162 11.8873 11.8873 12.5041 12.5041 k = 0.3333 0.5774 0.0150 ( 5601 PWs) bands (ev): -18.5553 -18.5553 -18.5459 -18.5459 -5.3065 -5.3065 -5.2913 -5.2913 -3.4420 -3.4420 -3.3888 -3.3888 -3.3180 -3.3180 -3.2496 -3.2496 0.1529 0.1529 0.2139 0.2139 3.6974 3.6974 3.7610 3.7610 3.8339 3.8339 4.3064 4.3064 4.4350 4.4350 4.5016 4.5016 5.1652 5.1652 5.2364 5.2364 5.6078 5.6078 5.6651 5.6651 5.7207 5.7207 5.9805 5.9805 5.9952 5.9952 7.1764 7.1764 8.3350 8.3350 8.3862 8.3862 10.5170 10.5170 10.5271 10.5271 11.7224 11.7224 11.8932 11.8932 12.5061 12.5061 k = 0.3333 0.5774 0.0300 ( 5610 PWs) bands (ev): -18.5552 -18.5552 -18.5459 -18.5459 -5.3064 -5.3064 -5.2913 -5.2913 -3.4413 -3.4413 -3.3880 -3.3880 -3.3188 -3.3188 -3.2506 -3.2506 0.1529 0.1529 0.2142 0.2142 3.6966 3.6966 3.7607 3.7607 3.8342 3.8342 4.3072 4.3072 4.4349 4.4349 4.5012 4.5012 5.1655 5.1655 5.2366 5.2366 5.6079 5.6079 5.6647 5.6647 5.7179 5.7179 5.9898 5.9898 5.9947 5.9947 7.1683 7.1683 8.3372 8.3372 8.3891 8.3891 10.5034 10.5034 10.5137 10.5137 11.7405 11.7405 11.9106 11.9106 12.5121 12.5121 k = 0.3333 0.5774 0.0450 ( 5622 PWs) bands (ev): -18.5551 -18.5551 -18.5460 -18.5460 -5.3061 -5.3061 -5.2914 -5.2914 -3.4401 -3.4401 -3.3867 -3.3867 -3.3201 -3.3201 -3.2523 -3.2523 0.1531 0.1531 0.2145 0.2145 3.6953 3.6953 3.7601 3.7601 3.8347 3.8347 4.3084 4.3084 4.4348 4.4348 4.5007 4.5007 5.1660 5.1660 5.2369 5.2369 5.6080 5.6080 5.6640 5.6640 5.7137 5.7137 5.9939 5.9939 6.0048 6.0048 7.1548 7.1548 8.3409 8.3409 8.3940 8.3940 10.4817 10.4817 10.4926 10.4926 11.7697 11.7697 11.9386 11.9386 12.5220 12.5220 k = 0.3333 0.5774 0.0600 ( 5595 PWs) bands (ev): -18.5550 -18.5550 -18.5462 -18.5462 -5.3058 -5.3058 -5.2916 -5.2916 -3.4384 -3.4384 -3.3849 -3.3849 -3.3219 -3.3219 -3.2546 -3.2546 0.1532 0.1532 0.2150 0.2150 3.6935 3.6935 3.7593 3.7593 3.8354 3.8354 4.3101 4.3101 4.4347 4.4347 4.4999 4.4999 5.1666 5.1666 5.2373 5.2373 5.6082 5.6082 5.6631 5.6631 5.7086 5.7086 5.9927 5.9927 6.0249 6.0249 7.1361 7.1361 8.3458 8.3458 8.4008 8.4008 10.4532 10.4532 10.4652 10.4652 11.8085 11.8085 11.9762 11.9762 12.5359 12.5359 k = 0.3333 0.5774 0.0750 ( 5595 PWs) bands (ev): -18.5548 -18.5548 -18.5463 -18.5463 -5.3055 -5.3055 -5.2918 -5.2918 -3.4363 -3.4363 -3.3826 -3.3826 -3.3242 -3.3242 -3.2575 -3.2575 0.1534 0.1534 0.2156 0.2156 3.6914 3.6914 3.7584 3.7584 3.8362 3.8362 4.3122 4.3122 4.4346 4.4346 4.4990 4.4990 5.1675 5.1675 5.2378 5.2378 5.6085 5.6085 5.6619 5.6619 5.7030 5.7030 5.9913 5.9913 6.0497 6.0497 7.1126 7.1126 8.3519 8.3519 8.4091 8.4091 10.4196 10.4196 10.4330 10.4330 11.8554 11.8554 12.0219 12.0219 12.5537 12.5537 k = 0.3333 0.5774 0.0900 ( 5589 PWs) bands (ev): -18.5546 -18.5546 -18.5466 -18.5466 -5.3050 -5.3050 -5.2920 -5.2920 -3.4338 -3.4338 -3.3798 -3.3798 -3.3269 -3.3269 -3.2609 -3.2609 0.1537 0.1537 0.2162 0.2162 3.6890 3.6890 3.7574 3.7574 3.8371 3.8371 4.3146 4.3146 4.4344 4.4344 4.4980 4.4980 5.1684 5.1684 5.2383 5.2383 5.6087 5.6087 5.6605 5.6605 5.6975 5.6975 5.9897 5.9897 6.0786 6.0786 7.0843 7.0843 8.3590 8.3590 8.4188 8.4188 10.3823 10.3823 10.3979 10.3979 11.9089 11.9089 12.0744 12.0744 12.5754 12.5754 k = 0.3333 0.5774 0.1050 ( 5604 PWs) bands (ev): -18.5544 -18.5544 -18.5468 -18.5468 -5.3045 -5.3045 -5.2923 -5.2923 -3.4309 -3.4309 -3.3766 -3.3766 -3.3301 -3.3301 -3.2649 -3.2649 0.1539 0.1539 0.2170 0.2170 3.6863 3.6863 3.7563 3.7563 3.8380 3.8380 4.3172 4.3172 4.4342 4.4342 4.4968 4.4968 5.1695 5.1695 5.2388 5.2388 5.6091 5.6091 5.6588 5.6588 5.6922 5.6922 5.9879 5.9879 6.1113 6.1113 7.0517 7.0517 8.3668 8.3668 8.4297 8.4297 10.3429 10.3429 10.3611 10.3611 11.9677 11.9677 12.1325 12.1325 12.6010 12.6010 k = 0.3333 0.5774 0.1200 ( 5610 PWs) bands (ev): -18.5541 -18.5541 -18.5471 -18.5471 -5.3039 -5.3039 -5.2926 -5.2926 -3.4276 -3.4276 -3.3729 -3.3729 -3.3337 -3.3337 -3.2694 -3.2694 0.1542 0.1542 0.2178 0.2178 3.6836 3.6836 3.7551 3.7551 3.8390 3.8390 4.3198 4.3198 4.4341 4.4341 4.4956 4.4956 5.1706 5.1706 5.2394 5.2394 5.6094 5.6094 5.6570 5.6570 5.6873 5.6873 5.9860 5.9860 6.1473 6.1473 7.0151 7.0151 8.3753 8.3753 8.4414 8.4414 10.3028 10.3028 10.3241 10.3241 12.0307 12.0307 12.1952 12.1952 12.6303 12.6303 k = 0.3333 0.5774 0.1350 ( 5610 PWs) bands (ev): -18.5538 -18.5538 -18.5474 -18.5474 -5.3033 -5.3033 -5.2929 -5.2929 -3.4240 -3.4240 -3.3688 -3.3688 -3.3375 -3.3375 -3.2744 -3.2744 0.1544 0.1544 0.2186 0.2186 3.6808 3.6808 3.7540 3.7540 3.8400 3.8400 4.3226 4.3226 4.4340 4.4340 4.4943 4.4943 5.1717 5.1717 5.2400 5.2400 5.6098 5.6098 5.6550 5.6550 5.6830 5.6830 5.9840 5.9840 6.1864 6.1864 6.9749 6.9749 8.3840 8.3840 8.4536 8.4536 10.2633 10.2633 10.2881 10.2881 12.0967 12.0967 12.2615 12.2615 12.6633 12.6633 k = 0.3333 0.5774 0.1500 ( 5622 PWs) bands (ev): -18.5534 -18.5534 -18.5477 -18.5477 -5.3026 -5.3026 -5.2933 -5.2933 -3.4201 -3.4201 -3.3642 -3.3642 -3.3417 -3.3417 -3.2797 -3.2797 0.1547 0.1547 0.2193 0.2193 3.6780 3.6780 3.7529 3.7529 3.8409 3.8409 4.3252 4.3252 4.4338 4.4338 4.4931 4.4931 5.1728 5.1728 5.2406 5.2406 5.6101 5.6101 5.6529 5.6529 5.6794 5.6794 5.9821 5.9821 6.2283 6.2283 6.9316 6.9316 8.3926 8.3926 8.4659 8.4659 10.2255 10.2255 10.2540 10.2540 12.1647 12.1647 12.3308 12.3308 12.6999 12.6999 k = 0.3333 0.5774 0.1650 ( 5610 PWs) bands (ev): -18.5531 -18.5531 -18.5481 -18.5481 -5.3020 -5.3020 -5.2937 -5.2937 -3.4159 -3.4159 -3.3594 -3.3594 -3.3461 -3.3461 -3.2853 -3.2853 0.1550 0.1550 0.2201 0.2201 3.6755 3.6755 3.7518 3.7518 3.8417 3.8417 4.3277 4.3277 4.4338 4.4338 4.4919 4.4919 5.1738 5.1738 5.2411 5.2411 5.6105 5.6105 5.6508 5.6508 5.6764 5.6764 5.9802 5.9802 6.2727 6.2727 6.8854 6.8854 8.4010 8.4010 8.4778 8.4778 10.1905 10.1905 10.2226 10.2226 12.2339 12.2339 12.4022 12.4022 12.7400 12.7400 k = 0.3333 0.5774 0.1800 ( 5616 PWs) bands (ev): -18.5527 -18.5527 -18.5485 -18.5485 -5.3013 -5.3013 -5.2942 -5.2942 -3.4116 -3.4116 -3.3541 -3.3541 -3.3506 -3.3506 -3.2912 -3.2912 0.1552 0.1552 0.2208 0.2208 3.6731 3.6731 3.7509 3.7509 3.8425 3.8425 4.3300 4.3300 4.4337 4.4337 4.4908 4.4908 5.1748 5.1748 5.2415 5.2415 5.6108 5.6108 5.6489 5.6489 5.6740 5.6740 5.9785 5.9785 6.3194 6.3194 6.8370 6.8370 8.4087 8.4087 8.4889 8.4889 10.1591 10.1591 10.1949 10.1949 12.3029 12.3029 12.4750 12.4750 12.7834 12.7834 k = 0.3333 0.5774 0.1950 ( 5607 PWs) bands (ev): -18.5523 -18.5523 -18.5489 -18.5489 -5.3006 -5.3006 -5.2947 -5.2947 -3.4073 -3.4073 -3.3551 -3.3551 -3.3486 -3.3486 -3.2973 -3.2973 0.1554 0.1554 0.2213 0.2213 3.6711 3.6711 3.7501 3.7501 3.8432 3.8432 4.3319 4.3319 4.4336 4.4336 4.4898 4.4898 5.1756 5.1756 5.2419 5.2419 5.6112 5.6112 5.6471 5.6471 5.6721 5.6721 5.9771 5.9771 6.3679 6.3679 6.7867 6.7867 8.4156 8.4156 8.4988 8.4988 10.1322 10.1322 10.1712 10.1712 12.3700 12.3700 12.5483 12.5483 12.8297 12.8297 k = 0.3333 0.5774 0.2100 ( 5613 PWs) bands (ev): -18.5519 -18.5519 -18.5493 -18.5493 -5.2999 -5.2999 -5.2952 -5.2952 -3.4032 -3.4032 -3.3595 -3.3595 -3.3429 -3.3429 -3.3035 -3.3035 0.1556 0.1556 0.2218 0.2218 3.6695 3.6695 3.7495 3.7495 3.8437 3.8437 4.3335 4.3335 4.4336 4.4336 4.4890 4.4890 5.1763 5.1763 5.2422 5.2422 5.6114 5.6114 5.6457 5.6457 5.6707 5.6707 5.9758 5.9758 6.4181 6.4181 6.7350 6.7350 8.4212 8.4212 8.5069 8.5069 10.1105 10.1105 10.1523 10.1523 12.4324 12.4324 12.6200 12.6200 12.8787 12.8787 k = 0.3333 0.5774 0.2250 ( 5622 PWs) bands (ev): -18.5515 -18.5515 -18.5497 -18.5497 -5.2992 -5.2992 -5.2958 -5.2958 -3.3994 -3.3994 -3.3633 -3.3633 -3.3372 -3.3372 -3.3097 -3.3097 0.1557 0.1557 0.2222 0.2222 3.6683 3.6683 3.7490 3.7490 3.8441 3.8441 4.3347 4.3347 4.4336 4.4336 4.4884 4.4884 5.1768 5.1768 5.2425 5.2425 5.6116 5.6116 5.6446 5.6446 5.6697 5.6697 5.9749 5.9749 6.4697 6.4697 6.6824 6.6824 8.4254 8.4254 8.5131 8.5131 10.0946 10.0946 10.1385 10.1385 12.4858 12.4858 12.6865 12.6865 12.9292 12.9292 k = 0.3333 0.5774 0.2400 ( 5616 PWs) bands (ev): -18.5510 -18.5510 -18.5501 -18.5501 -5.2987 -5.2987 -5.2962 -5.2962 -3.3967 -3.3967 -3.3661 -3.3661 -3.3317 -3.3317 -3.3154 -3.3154 0.1558 0.1558 0.2224 0.2224 3.6676 3.6676 3.7487 3.7487 3.8443 3.8443 4.3354 4.3354 4.4336 4.4336 4.4881 4.4881 5.1771 5.1771 5.2426 5.2426 5.6117 5.6117 5.6439 5.6439 5.6691 5.6691 5.9744 5.9744 6.5221 6.5221 6.6292 6.6292 8.4280 8.4280 8.5169 8.5169 10.0849 10.0849 10.1301 10.1301 12.5233 12.5233 12.7391 12.7391 12.9792 12.9792 k = 0.3333 0.5774 0.2550 ( 5610 PWs) bands (ev): -18.5506 -18.5506 -18.5506 -18.5506 -5.2985 -5.2985 -5.2964 -5.2964 -3.3957 -3.3957 -3.3672 -3.3672 -3.3286 -3.3286 -3.3186 -3.3186 0.1558 0.1558 0.2225 0.2225 3.6673 3.6673 3.7486 3.7486 3.8444 3.8444 4.3356 4.3356 4.4336 4.4336 4.4879 4.4879 5.1772 5.1772 5.2427 5.2427 5.6118 5.6118 5.6437 5.6437 5.6689 5.6689 5.9742 5.9742 6.5699 6.5699 6.5811 6.5811 8.4289 8.4289 8.5182 8.5182 10.0816 10.0816 10.1273 10.1273 12.5371 12.5371 12.7607 12.7607 13.0158 13.0158 Writing output data file BaSbAu.save init_run : 0.59s CPU 0.84s WALL ( 1 calls) electrons : 338.70s CPU 342.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 338.69s CPU 342.75s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.34s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 274 calls) cegterg : 320.12s CPU 323.53s WALL ( 787 calls) Called by sum_band: Called by *egterg: h_psi : 167.59s CPU 169.58s WALL ( 13931 calls) s_psi : 15.29s CPU 15.02s WALL ( 13931 calls) g_psi : 0.46s CPU 0.50s WALL ( 12870 calls) cdiaghg : 111.74s CPU 113.26s WALL ( 13144 calls) cegterg:over : 13.94s CPU 14.06s WALL ( 12870 calls) cegterg:upda : 13.01s CPU 13.27s WALL ( 12870 calls) cegterg:last : 5.76s CPU 5.61s WALL ( 1609 calls) cdiaghg:chol : 6.40s CPU 6.48s WALL ( 13144 calls) cdiaghg:inve : 4.40s CPU 4.48s WALL ( 13144 calls) cdiaghg:para : 6.98s CPU 7.04s WALL ( 26288 calls) Called by h_psi: h_psi:vloc : 137.10s CPU 139.05s WALL ( 13931 calls) h_psi:vnl : 29.91s CPU 30.02s WALL ( 13931 calls) add_vuspsi : 16.88s CPU 16.59s WALL ( 13931 calls) General routines calbec : 12.98s CPU 13.39s WALL ( 13931 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.37s CPU 125.48s WALL ( 1202720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.36s WALL ( 548 calls) Parallel routines fft_scatter : 38.65s CPU 39.10s WALL ( 1202743 calls) PWSCF : 5m58.67s CPU 6m12.48s WALL This run was terminated on: 13:35:41 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=