Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:29:25 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 5011 1221 191 Max 66 26 8 5022 1278 204 Sum 2347 931 265 180517 45067 6963 bravais-lattice index = 14 lattice parameter (alat) = 8.9686 a.u. unit-cell volume = 1223.9739 (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)= 8.968640 celldm(2)= 1.000000 celldm(3)= 1.959123 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 1.959123 ) 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 0.510432 ) 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 ) ( -0.9795617 ) 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 ) ( 0.9795617 ) 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 ) ( -0.9795617 ) 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 ) ( -0.9795617 ) 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 ) ( 0.9795617 ) 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 ) ( 0.9795617 ) 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 ) ( 0.9795617 ) 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 ) ( -0.9795617 ) 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 ) ( 0.9795617 ) 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 ) ( 0.9795617 ) 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 ) ( -0.9795617 ) 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 ) ( -0.9795617 ) 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 0.0150127), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.0300254), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.0450381), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.0600509), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.0750636), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.0900763), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.1050890), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.1201017), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.1351144), wk = 0.0036496 k( 121) = ( 0.0000000 0.0000000 0.1501272), wk = 0.0036496 k( 122) = ( 0.0000000 0.0000000 0.1651399), wk = 0.0036496 k( 123) = ( 0.0000000 0.0000000 0.1801526), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.1951653), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.2101780), wk = 0.0036496 k( 126) = ( 0.0000000 0.0000000 0.2251907), wk = 0.0036496 k( 127) = ( 0.0000000 0.0000000 0.2402035), wk = 0.0036496 k( 128) = ( 0.0000000 0.0000000 0.2552162), wk = 0.0036496 k( 129) = ( 0.0000000 0.0000000 0.2552162), wk = 0.0036496 k( 130) = ( 0.0128205 0.0074019 0.2552162), wk = 0.0036496 k( 131) = ( 0.0256410 0.0148039 0.2552162), wk = 0.0036496 k( 132) = ( 0.0384615 0.0222058 0.2552162), wk = 0.0036496 k( 133) = ( 0.0512821 0.0296077 0.2552162), wk = 0.0036496 k( 134) = ( 0.0641026 0.0370096 0.2552162), wk = 0.0036496 k( 135) = ( 0.0769231 0.0444116 0.2552162), wk = 0.0036496 k( 136) = ( 0.0897436 0.0518135 0.2552162), wk = 0.0036496 k( 137) = ( 0.1025641 0.0592154 0.2552162), wk = 0.0036496 k( 138) = ( 0.1153846 0.0666173 0.2552162), wk = 0.0036496 k( 139) = ( 0.1282051 0.0740193 0.2552162), wk = 0.0036496 k( 140) = ( 0.1410256 0.0814212 0.2552162), wk = 0.0036496 k( 141) = ( 0.1538461 0.0888231 0.2552162), wk = 0.0036496 k( 142) = ( 0.1666667 0.0962250 0.2552162), wk = 0.0036496 k( 143) = ( 0.1794872 0.1036270 0.2552162), wk = 0.0036496 k( 144) = ( 0.1923077 0.1110289 0.2552162), wk = 0.0036496 k( 145) = ( 0.2051282 0.1184308 0.2552162), wk = 0.0036496 k( 146) = ( 0.2179487 0.1258328 0.2552162), wk = 0.0036496 k( 147) = ( 0.2307692 0.1332347 0.2552162), wk = 0.0036496 k( 148) = ( 0.2435897 0.1406366 0.2552162), wk = 0.0036496 k( 149) = ( 0.2564103 0.1480385 0.2552162), wk = 0.0036496 k( 150) = ( 0.2692308 0.1554405 0.2552162), wk = 0.0036496 k( 151) = ( 0.2820513 0.1628424 0.2552162), wk = 0.0036496 k( 152) = ( 0.2948718 0.1702443 0.2552162), wk = 0.0036496 k( 153) = ( 0.3076923 0.1776462 0.2552162), wk = 0.0036496 k( 154) = ( 0.3205128 0.1850482 0.2552162), wk = 0.0036496 k( 155) = ( 0.3333333 0.1924501 0.2552162), wk = 0.0036496 k( 156) = ( 0.3461538 0.1998520 0.2552162), wk = 0.0036496 k( 157) = ( 0.3589744 0.2072539 0.2552162), wk = 0.0036496 k( 158) = ( 0.3717949 0.2146559 0.2552162), wk = 0.0036496 k( 159) = ( 0.3846154 0.2220578 0.2552162), wk = 0.0036496 k( 160) = ( 0.3974359 0.2294597 0.2552162), wk = 0.0036496 k( 161) = ( 0.4102564 0.2368616 0.2552162), wk = 0.0036496 k( 162) = ( 0.4230769 0.2442636 0.2552162), wk = 0.0036496 k( 163) = ( 0.4358974 0.2516655 0.2552162), wk = 0.0036496 k( 164) = ( 0.4487179 0.2590674 0.2552162), wk = 0.0036496 k( 165) = ( 0.4615385 0.2664694 0.2552162), wk = 0.0036496 k( 166) = ( 0.4743590 0.2738713 0.2552162), wk = 0.0036496 k( 167) = ( 0.4871795 0.2812732 0.2552162), wk = 0.0036496 k( 168) = ( 0.5000000 0.2886751 0.2552162), wk = 0.0036496 k( 169) = ( 0.5000000 0.2886751 0.2552162), wk = 0.0036496 k( 170) = ( 0.4927536 0.3012262 0.2552162), wk = 0.0036496 k( 171) = ( 0.4855073 0.3137773 0.2552162), wk = 0.0036496 k( 172) = ( 0.4782609 0.3263284 0.2552162), wk = 0.0036496 k( 173) = ( 0.4710145 0.3388795 0.2552162), wk = 0.0036496 k( 174) = ( 0.4637681 0.3514306 0.2552162), wk = 0.0036496 k( 175) = ( 0.4565217 0.3639817 0.2552162), wk = 0.0036496 k( 176) = ( 0.4492754 0.3765328 0.2552162), wk = 0.0036496 k( 177) = ( 0.4420290 0.3890839 0.2552162), wk = 0.0036496 k( 178) = ( 0.4347826 0.4016350 0.2552162), wk = 0.0036496 k( 179) = ( 0.4275362 0.4141861 0.2552162), wk = 0.0036496 k( 180) = ( 0.4202899 0.4267372 0.2552162), wk = 0.0036496 k( 181) = ( 0.4130435 0.4392882 0.2552162), wk = 0.0036496 k( 182) = ( 0.4057971 0.4518393 0.2552162), wk = 0.0036496 k( 183) = ( 0.3985507 0.4643904 0.2552162), wk = 0.0036496 k( 184) = ( 0.3913044 0.4769415 0.2552162), wk = 0.0036496 k( 185) = ( 0.3840580 0.4894926 0.2552162), wk = 0.0036496 k( 186) = ( 0.3768116 0.5020437 0.2552162), wk = 0.0036496 k( 187) = ( 0.3695652 0.5145948 0.2552162), wk = 0.0036496 k( 188) = ( 0.3623188 0.5271459 0.2552162), wk = 0.0036496 k( 189) = ( 0.3550725 0.5396970 0.2552162), wk = 0.0036496 k( 190) = ( 0.3478261 0.5522481 0.2552162), wk = 0.0036496 k( 191) = ( 0.3405797 0.5647992 0.2552162), wk = 0.0036496 k( 192) = ( 0.3333333 0.5773503 0.2552162), wk = 0.0036496 k( 193) = ( 0.3333333 0.5773503 0.2552162), wk = 0.0036496 k( 194) = ( 0.3259259 0.5645203 0.2552162), wk = 0.0036496 k( 195) = ( 0.3185185 0.5516903 0.2552162), wk = 0.0036496 k( 196) = ( 0.3111111 0.5388602 0.2552162), wk = 0.0036496 k( 197) = ( 0.3037037 0.5260302 0.2552162), wk = 0.0036496 k( 198) = ( 0.2962963 0.5132002 0.2552162), wk = 0.0036496 k( 199) = ( 0.2888889 0.5003702 0.2552162), wk = 0.0036496 k( 200) = ( 0.2814815 0.4875402 0.2552162), wk = 0.0036496 k( 201) = ( 0.2740741 0.4747102 0.2552162), wk = 0.0036496 k( 202) = ( 0.2666667 0.4618802 0.2552162), wk = 0.0036496 k( 203) = ( 0.2592593 0.4490502 0.2552162), wk = 0.0036496 k( 204) = ( 0.2518518 0.4362202 0.2552162), wk = 0.0036496 k( 205) = ( 0.2444444 0.4233902 0.2552162), wk = 0.0036496 k( 206) = ( 0.2370370 0.4105602 0.2552162), wk = 0.0036496 k( 207) = ( 0.2296296 0.3977302 0.2552162), wk = 0.0036496 k( 208) = ( 0.2222222 0.3849002 0.2552162), wk = 0.0036496 k( 209) = ( 0.2148148 0.3720702 0.2552162), wk = 0.0036496 k( 210) = ( 0.2074074 0.3592402 0.2552162), wk = 0.0036496 k( 211) = ( 0.2000000 0.3464102 0.2552162), wk = 0.0036496 k( 212) = ( 0.1925926 0.3335802 0.2552162), wk = 0.0036496 k( 213) = ( 0.1851852 0.3207502 0.2552162), wk = 0.0036496 k( 214) = ( 0.1777778 0.3079201 0.2552162), wk = 0.0036496 k( 215) = ( 0.1703704 0.2950901 0.2552162), wk = 0.0036496 k( 216) = ( 0.1629630 0.2822601 0.2552162), wk = 0.0036496 k( 217) = ( 0.1555556 0.2694301 0.2552162), wk = 0.0036496 k( 218) = ( 0.1481482 0.2566001 0.2552162), wk = 0.0036496 k( 219) = ( 0.1407407 0.2437701 0.2552162), wk = 0.0036496 k( 220) = ( 0.1333333 0.2309401 0.2552162), wk = 0.0036496 k( 221) = ( 0.1259259 0.2181101 0.2552162), wk = 0.0036496 k( 222) = ( 0.1185185 0.2052801 0.2552162), wk = 0.0036496 k( 223) = ( 0.1111111 0.1924501 0.2552162), wk = 0.0036496 k( 224) = ( 0.1037037 0.1796201 0.2552162), wk = 0.0036496 k( 225) = ( 0.0962963 0.1667901 0.2552162), wk = 0.0036496 k( 226) = ( 0.0888889 0.1539601 0.2552162), wk = 0.0036496 k( 227) = ( 0.0814815 0.1411301 0.2552162), wk = 0.0036496 k( 228) = ( 0.0740741 0.1283001 0.2552162), wk = 0.0036496 k( 229) = ( 0.0666667 0.1154701 0.2552162), wk = 0.0036496 k( 230) = ( 0.0592593 0.1026400 0.2552162), wk = 0.0036496 k( 231) = ( 0.0518518 0.0898100 0.2552162), wk = 0.0036496 k( 232) = ( 0.0444444 0.0769800 0.2552162), wk = 0.0036496 k( 233) = ( 0.0370370 0.0641500 0.2552162), wk = 0.0036496 k( 234) = ( 0.0296296 0.0513200 0.2552162), wk = 0.0036496 k( 235) = ( 0.0222222 0.0384900 0.2552162), wk = 0.0036496 k( 236) = ( 0.0148148 0.0256600 0.2552162), wk = 0.0036496 k( 237) = ( 0.0074074 0.0128300 0.2552162), wk = 0.0036496 k( 238) = ( 0.0000000 0.0000000 0.2552162), wk = 0.0036496 k( 239) = ( 0.5000000 0.2886751 0.2552162), wk = 0.0036496 k( 240) = ( 0.5000000 0.2886751 0.2402035), wk = 0.0036496 k( 241) = ( 0.5000000 0.2886751 0.2251907), wk = 0.0036496 k( 242) = ( 0.5000000 0.2886751 0.2101780), wk = 0.0036496 k( 243) = ( 0.5000000 0.2886751 0.1951653), wk = 0.0036496 k( 244) = ( 0.5000000 0.2886751 0.1801526), wk = 0.0036496 k( 245) = ( 0.5000000 0.2886751 0.1651399), wk = 0.0036496 k( 246) = ( 0.5000000 0.2886751 0.1501272), wk = 0.0036496 k( 247) = ( 0.5000000 0.2886751 0.1351144), wk = 0.0036496 k( 248) = ( 0.5000000 0.2886751 0.1201017), wk = 0.0036496 k( 249) = ( 0.5000000 0.2886751 0.1050890), wk = 0.0036496 k( 250) = ( 0.5000000 0.2886751 0.0900763), wk = 0.0036496 k( 251) = ( 0.5000000 0.2886751 0.0750636), wk = 0.0036496 k( 252) = ( 0.5000000 0.2886751 0.0600509), wk = 0.0036496 k( 253) = ( 0.5000000 0.2886751 0.0450381), wk = 0.0036496 k( 254) = ( 0.5000000 0.2886751 0.0300254), wk = 0.0036496 k( 255) = ( 0.5000000 0.2886751 0.0150127), 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 0.0150127), wk = 0.0036496 k( 259) = ( 0.3333333 0.5773503 0.0300254), wk = 0.0036496 k( 260) = ( 0.3333333 0.5773503 0.0450381), wk = 0.0036496 k( 261) = ( 0.3333333 0.5773503 0.0600509), wk = 0.0036496 k( 262) = ( 0.3333333 0.5773503 0.0750636), wk = 0.0036496 k( 263) = ( 0.3333333 0.5773503 0.0900763), wk = 0.0036496 k( 264) = ( 0.3333333 0.5773503 0.1050890), wk = 0.0036496 k( 265) = ( 0.3333333 0.5773503 0.1201017), wk = 0.0036496 k( 266) = ( 0.3333333 0.5773503 0.1351144), wk = 0.0036496 k( 267) = ( 0.3333333 0.5773503 0.1501272), wk = 0.0036496 k( 268) = ( 0.3333333 0.5773503 0.1651399), wk = 0.0036496 k( 269) = ( 0.3333333 0.5773503 0.1801526), wk = 0.0036496 k( 270) = ( 0.3333333 0.5773503 0.1951653), wk = 0.0036496 k( 271) = ( 0.3333333 0.5773503 0.2101780), wk = 0.0036496 k( 272) = ( 0.3333333 0.5773503 0.2251907), wk = 0.0036496 k( 273) = ( 0.3333333 0.5773503 0.2402035), wk = 0.0036496 k( 274) = ( 0.3333333 0.5773503 0.2552162), 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 0.2941176), 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 0.2941176), 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: 180517 G-vectors FFT dimensions: ( 60, 60, 120) Smooth grid: 45067 G-vectors FFT dimensions: ( 40, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 346, 62) NL pseudopotentials 0.54 Mb ( 173, 206) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5022) G-vector shells 0.02 Mb ( 2397) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.31 Mb ( 346, 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 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 total cpu time spent up to now is 14.5 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 16.9 secs Computing kpt #: 12 total cpu time spent up to now is 18.0 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.2 secs Computing kpt #: 15 total cpu time spent up to now is 21.4 secs Computing kpt #: 16 total cpu time spent up to now is 22.6 secs Computing kpt #: 17 total cpu time spent up to now is 23.8 secs Computing kpt #: 18 total cpu time spent up to now is 25.0 secs Computing kpt #: 19 total cpu time spent up to now is 26.2 secs Computing kpt #: 20 total cpu time spent up to now is 27.4 secs Computing kpt #: 21 total cpu time spent up to now is 28.4 secs Computing kpt #: 22 total cpu time spent up to now is 29.5 secs Computing kpt #: 23 total cpu time spent up to now is 30.5 secs Computing kpt #: 24 total cpu time spent up to now is 31.6 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 33.8 secs Computing kpt #: 27 total cpu time spent up to now is 35.0 secs Computing kpt #: 28 total cpu time spent up to now is 36.0 secs Computing kpt #: 29 total cpu time spent up to now is 37.2 secs Computing kpt #: 30 total cpu time spent up to now is 38.4 secs Computing kpt #: 31 total cpu time spent up to now is 39.5 secs Computing kpt #: 32 total cpu time spent up to now is 40.5 secs Computing kpt #: 33 total cpu time spent up to now is 41.6 secs Computing kpt #: 34 total cpu time spent up to now is 42.6 secs Computing kpt #: 35 total cpu time spent up to now is 43.6 secs Computing kpt #: 36 total cpu time spent up to now is 44.7 secs Computing kpt #: 37 total cpu time spent up to now is 45.7 secs Computing kpt #: 38 total cpu time spent up to now is 46.7 secs Computing kpt #: 39 total cpu time spent up to now is 47.7 secs Computing kpt #: 40 total cpu time spent up to now is 48.7 secs Computing kpt #: 41 total cpu time spent up to now is 49.7 secs Computing kpt #: 42 total cpu time spent up to now is 50.7 secs Computing kpt #: 43 total cpu time spent up to now is 51.7 secs Computing kpt #: 44 total cpu time spent up to now is 52.7 secs Computing kpt #: 45 total cpu time spent up to now is 53.8 secs Computing kpt #: 46 total cpu time spent up to now is 54.8 secs Computing kpt #: 47 total cpu time spent up to now is 55.8 secs Computing kpt #: 48 total cpu time spent up to now is 56.8 secs Computing kpt #: 49 total cpu time spent up to now is 57.8 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 59.8 secs Computing kpt #: 52 total cpu time spent up to now is 60.7 secs Computing kpt #: 53 total cpu time spent up to now is 61.7 secs Computing kpt #: 54 total cpu time spent up to now is 62.6 secs Computing kpt #: 55 total cpu time spent up to now is 63.6 secs Computing kpt #: 56 total cpu time spent up to now is 64.6 secs Computing kpt #: 57 total cpu time spent up to now is 65.5 secs Computing kpt #: 58 total cpu time spent up to now is 66.5 secs Computing kpt #: 59 total cpu time spent up to now is 67.4 secs Computing kpt #: 60 total cpu time spent up to now is 68.3 secs Computing kpt #: 61 total cpu time spent up to now is 69.3 secs Computing kpt #: 62 total cpu time spent up to now is 70.3 secs Computing kpt #: 63 total cpu time spent up to now is 71.2 secs Computing kpt #: 64 total cpu time spent up to now is 72.2 secs Computing kpt #: 65 total cpu time spent up to now is 73.1 secs Computing kpt #: 66 total cpu time spent up to now is 74.1 secs Computing kpt #: 67 total cpu time spent up to now is 75.0 secs Computing kpt #: 68 total cpu time spent up to now is 76.0 secs Computing kpt #: 69 total cpu time spent up to now is 76.9 secs Computing kpt #: 70 total cpu time spent up to now is 77.9 secs Computing kpt #: 71 total cpu time spent up to now is 78.9 secs Computing kpt #: 72 total cpu time spent up to now is 79.8 secs Computing kpt #: 73 total cpu time spent up to now is 80.8 secs Computing kpt #: 74 total cpu time spent up to now is 81.8 secs Computing kpt #: 75 total cpu time spent up to now is 82.8 secs Computing kpt #: 76 total cpu time spent up to now is 83.8 secs Computing kpt #: 77 total cpu time spent up to now is 84.8 secs Computing kpt #: 78 total cpu time spent up to now is 85.8 secs Computing kpt #: 79 total cpu time spent up to now is 86.8 secs Computing kpt #: 80 total cpu time spent up to now is 87.9 secs Computing kpt #: 81 total cpu time spent up to now is 89.0 secs Computing kpt #: 82 total cpu time spent up to now is 90.0 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 92.3 secs Computing kpt #: 85 total cpu time spent up to now is 94.0 secs Computing kpt #: 86 total cpu time spent up to now is 95.2 secs Computing kpt #: 87 total cpu time spent up to now is 96.4 secs Computing kpt #: 88 total cpu time spent up to now is 97.5 secs Computing kpt #: 89 total cpu time spent up to now is 98.5 secs Computing kpt #: 90 total cpu time spent up to now is 99.5 secs Computing kpt #: 91 total cpu time spent up to now is 100.5 secs Computing kpt #: 92 total cpu time spent up to now is 101.6 secs Computing kpt #: 93 total cpu time spent up to now is 102.6 secs Computing kpt #: 94 total cpu time spent up to now is 103.7 secs Computing kpt #: 95 total cpu time spent up to now is 104.9 secs Computing kpt #: 96 total cpu time spent up to now is 106.2 secs Computing kpt #: 97 total cpu time spent up to now is 107.4 secs Computing kpt #: 98 total cpu time spent up to now is 108.4 secs Computing kpt #: 99 total cpu time spent up to now is 109.4 secs Computing kpt #: 100 total cpu time spent up to now is 110.5 secs Computing kpt #: 101 total cpu time spent up to now is 111.7 secs Computing kpt #: 102 total cpu time spent up to now is 112.9 secs Computing kpt #: 103 total cpu time spent up to now is 114.2 secs Computing kpt #: 104 total cpu time spent up to now is 115.5 secs Computing kpt #: 105 total cpu time spent up to now is 116.7 secs Computing kpt #: 106 total cpu time spent up to now is 117.9 secs Computing kpt #: 107 total cpu time spent up to now is 119.1 secs Computing kpt #: 108 total cpu time spent up to now is 120.3 secs Computing kpt #: 109 total cpu time spent up to now is 121.5 secs Computing kpt #: 110 total cpu time spent up to now is 123.1 secs Computing kpt #: 111 total cpu time spent up to now is 124.7 secs Computing kpt #: 112 total cpu time spent up to now is 126.6 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.8 secs Computing kpt #: 114 total cpu time spent up to now is 130.5 secs Computing kpt #: 115 total cpu time spent up to now is 132.1 secs Computing kpt #: 116 total cpu time spent up to now is 133.9 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.0 secs Computing kpt #: 118 total cpu time spent up to now is 137.7 secs Computing kpt #: 119 total cpu time spent up to now is 139.3 secs Computing kpt #: 120 total cpu time spent up to now is 141.4 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 122 total cpu time spent up to now is 145.6 secs Computing kpt #: 123 total cpu time spent up to now is 146.9 secs Computing kpt #: 124 total cpu time spent up to now is 148.3 secs Computing kpt #: 125 total cpu time spent up to now is 149.6 secs Computing kpt #: 126 total cpu time spent up to now is 151.0 secs Computing kpt #: 127 total cpu time spent up to now is 152.6 secs Computing kpt #: 128 total cpu time spent up to now is 153.9 secs Computing kpt #: 129 total cpu time spent up to now is 155.1 secs Computing kpt #: 130 total cpu time spent up to now is 156.5 secs Computing kpt #: 131 total cpu time spent up to now is 157.7 secs Computing kpt #: 132 total cpu time spent up to now is 159.0 secs Computing kpt #: 133 total cpu time spent up to now is 160.2 secs Computing kpt #: 134 total cpu time spent up to now is 161.4 secs Computing kpt #: 135 total cpu time spent up to now is 162.5 secs Computing kpt #: 136 total cpu time spent up to now is 163.6 secs Computing kpt #: 137 total cpu time spent up to now is 164.6 secs Computing kpt #: 138 total cpu time spent up to now is 165.7 secs Computing kpt #: 139 total cpu time spent up to now is 166.7 secs Computing kpt #: 140 total cpu time spent up to now is 167.6 secs Computing kpt #: 141 total cpu time spent up to now is 168.6 secs Computing kpt #: 142 total cpu time spent up to now is 169.5 secs Computing kpt #: 143 total cpu time spent up to now is 170.4 secs Computing kpt #: 144 total cpu time spent up to now is 171.3 secs Computing kpt #: 145 total cpu time spent up to now is 172.2 secs Computing kpt #: 146 total cpu time spent up to now is 173.0 secs Computing kpt #: 147 total cpu time spent up to now is 173.9 secs Computing kpt #: 148 total cpu time spent up to now is 174.8 secs Computing kpt #: 149 total cpu time spent up to now is 175.7 secs Computing kpt #: 150 total cpu time spent up to now is 176.6 secs Computing kpt #: 151 total cpu time spent up to now is 177.5 secs Computing kpt #: 152 total cpu time spent up to now is 178.4 secs Computing kpt #: 153 total cpu time spent up to now is 179.3 secs Computing kpt #: 154 total cpu time spent up to now is 180.2 secs Computing kpt #: 155 total cpu time spent up to now is 181.2 secs Computing kpt #: 156 total cpu time spent up to now is 182.1 secs Computing kpt #: 157 total cpu time spent up to now is 183.1 secs Computing kpt #: 158 total cpu time spent up to now is 184.0 secs Computing kpt #: 159 total cpu time spent up to now is 185.0 secs Computing kpt #: 160 total cpu time spent up to now is 186.0 secs Computing kpt #: 161 total cpu time spent up to now is 187.0 secs Computing kpt #: 162 total cpu time spent up to now is 187.9 secs Computing kpt #: 163 total cpu time spent up to now is 188.9 secs Computing kpt #: 164 total cpu time spent up to now is 189.8 secs Computing kpt #: 165 total cpu time spent up to now is 190.8 secs Computing kpt #: 166 total cpu time spent up to now is 191.7 secs Computing kpt #: 167 total cpu time spent up to now is 192.7 secs Computing kpt #: 168 total cpu time spent up to now is 193.6 secs Computing kpt #: 169 total cpu time spent up to now is 194.6 secs Computing kpt #: 170 total cpu time spent up to now is 195.6 secs Computing kpt #: 171 total cpu time spent up to now is 196.5 secs Computing kpt #: 172 total cpu time spent up to now is 197.5 secs Computing kpt #: 173 total cpu time spent up to now is 198.5 secs Computing kpt #: 174 total cpu time spent up to now is 199.5 secs Computing kpt #: 175 total cpu time spent up to now is 200.5 secs Computing kpt #: 176 total cpu time spent up to now is 201.5 secs Computing kpt #: 177 total cpu time spent up to now is 202.5 secs Computing kpt #: 178 total cpu time spent up to now is 203.5 secs Computing kpt #: 179 total cpu time spent up to now is 204.5 secs Computing kpt #: 180 total cpu time spent up to now is 205.5 secs Computing kpt #: 181 total cpu time spent up to now is 206.5 secs Computing kpt #: 182 total cpu time spent up to now is 207.5 secs Computing kpt #: 183 total cpu time spent up to now is 208.5 secs Computing kpt #: 184 total cpu time spent up to now is 209.5 secs Computing kpt #: 185 total cpu time spent up to now is 210.5 secs Computing kpt #: 186 total cpu time spent up to now is 211.5 secs Computing kpt #: 187 total cpu time spent up to now is 212.5 secs Computing kpt #: 188 total cpu time spent up to now is 213.5 secs Computing kpt #: 189 total cpu time spent up to now is 214.5 secs Computing kpt #: 190 total cpu time spent up to now is 215.5 secs Computing kpt #: 191 total cpu time spent up to now is 216.5 secs Computing kpt #: 192 total cpu time spent up to now is 217.5 secs Computing kpt #: 193 total cpu time spent up to now is 218.5 secs Computing kpt #: 194 total cpu time spent up to now is 219.5 secs Computing kpt #: 195 total cpu time spent up to now is 220.5 secs Computing kpt #: 196 total cpu time spent up to now is 221.5 secs Computing kpt #: 197 total cpu time spent up to now is 222.5 secs Computing kpt #: 198 total cpu time spent up to now is 223.5 secs Computing kpt #: 199 total cpu time spent up to now is 224.5 secs Computing kpt #: 200 total cpu time spent up to now is 225.4 secs Computing kpt #: 201 total cpu time spent up to now is 226.4 secs Computing kpt #: 202 total cpu time spent up to now is 227.4 secs Computing kpt #: 203 total cpu time spent up to now is 228.4 secs Computing kpt #: 204 total cpu time spent up to now is 229.4 secs Computing kpt #: 205 total cpu time spent up to now is 230.4 secs Computing kpt #: 206 total cpu time spent up to now is 231.5 secs Computing kpt #: 207 total cpu time spent up to now is 232.5 secs Computing kpt #: 208 total cpu time spent up to now is 233.6 secs Computing kpt #: 209 total cpu time spent up to now is 234.6 secs Computing kpt #: 210 total cpu time spent up to now is 235.7 secs Computing kpt #: 211 total cpu time spent up to now is 236.9 secs Computing kpt #: 212 total cpu time spent up to now is 238.1 secs Computing kpt #: 213 total cpu time spent up to now is 239.3 secs Computing kpt #: 214 total cpu time spent up to now is 240.6 secs Computing kpt #: 215 total cpu time spent up to now is 241.8 secs Computing kpt #: 216 total cpu time spent up to now is 243.1 secs Computing kpt #: 217 total cpu time spent up to now is 244.3 secs Computing kpt #: 218 total cpu time spent up to now is 245.5 secs Computing kpt #: 219 total cpu time spent up to now is 246.7 secs Computing kpt #: 220 total cpu time spent up to now is 247.9 secs Computing kpt #: 221 total cpu time spent up to now is 249.0 secs Computing kpt #: 222 total cpu time spent up to now is 250.2 secs Computing kpt #: 223 total cpu time spent up to now is 251.4 secs Computing kpt #: 224 total cpu time spent up to now is 252.6 secs Computing kpt #: 225 total cpu time spent up to now is 253.7 secs Computing kpt #: 226 total cpu time spent up to now is 254.8 secs Computing kpt #: 227 total cpu time spent up to now is 256.1 secs Computing kpt #: 228 total cpu time spent up to now is 257.3 secs Computing kpt #: 229 total cpu time spent up to now is 258.6 secs Computing kpt #: 230 total cpu time spent up to now is 259.8 secs Computing kpt #: 231 total cpu time spent up to now is 261.2 secs Computing kpt #: 232 total cpu time spent up to now is 262.7 secs Computing kpt #: 233 total cpu time spent up to now is 264.4 secs Computing kpt #: 234 total cpu time spent up to now is 265.9 secs Computing kpt #: 235 total cpu time spent up to now is 267.3 secs Computing kpt #: 236 total cpu time spent up to now is 268.8 secs Computing kpt #: 237 total cpu time spent up to now is 270.1 secs Computing kpt #: 238 total cpu time spent up to now is 271.3 secs Computing kpt #: 239 total cpu time spent up to now is 272.3 secs Computing kpt #: 240 total cpu time spent up to now is 273.3 secs Computing kpt #: 241 total cpu time spent up to now is 274.2 secs Computing kpt #: 242 total cpu time spent up to now is 275.2 secs Computing kpt #: 243 total cpu time spent up to now is 276.2 secs Computing kpt #: 244 total cpu time spent up to now is 277.2 secs Computing kpt #: 245 total cpu time spent up to now is 278.2 secs Computing kpt #: 246 total cpu time spent up to now is 279.3 secs Computing kpt #: 247 total cpu time spent up to now is 280.3 secs Computing kpt #: 248 total cpu time spent up to now is 281.3 secs Computing kpt #: 249 total cpu time spent up to now is 282.3 secs Computing kpt #: 250 total cpu time spent up to now is 283.3 secs Computing kpt #: 251 total cpu time spent up to now is 284.3 secs Computing kpt #: 252 total cpu time spent up to now is 285.3 secs Computing kpt #: 253 total cpu time spent up to now is 286.3 secs Computing kpt #: 254 total cpu time spent up to now is 287.4 secs Computing kpt #: 255 total cpu time spent up to now is 288.4 secs Computing kpt #: 256 total cpu time spent up to now is 289.3 secs Computing kpt #: 257 total cpu time spent up to now is 290.3 secs Computing kpt #: 258 total cpu time spent up to now is 291.3 secs Computing kpt #: 259 total cpu time spent up to now is 292.2 secs Computing kpt #: 260 total cpu time spent up to now is 293.2 secs Computing kpt #: 261 total cpu time spent up to now is 294.1 secs Computing kpt #: 262 total cpu time spent up to now is 295.1 secs Computing kpt #: 263 total cpu time spent up to now is 296.0 secs Computing kpt #: 264 total cpu time spent up to now is 297.0 secs Computing kpt #: 265 total cpu time spent up to now is 298.0 secs Computing kpt #: 266 total cpu time spent up to now is 298.9 secs Computing kpt #: 267 total cpu time spent up to now is 299.9 secs Computing kpt #: 268 total cpu time spent up to now is 300.9 secs Computing kpt #: 269 total cpu time spent up to now is 301.9 secs Computing kpt #: 270 total cpu time spent up to now is 302.9 secs Computing kpt #: 271 total cpu time spent up to now is 303.9 secs Computing kpt #: 272 total cpu time spent up to now is 304.9 secs Computing kpt #: 273 total cpu time spent up to now is 305.9 secs Computing kpt #: 274 total cpu time spent up to now is 306.9 secs ethr = 1.92E-08, avg # of iterations = 37.8 total cpu time spent up to now is 306.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -18.7087 -18.7087 -18.7036 -18.7036 -5.6062 -5.6062 -5.5731 -5.5731 -3.8091 -3.8091 -3.7862 -3.7862 -3.5965 -3.5965 -3.4519 -3.4519 -0.5823 -0.5823 -0.3489 -0.3489 4.4129 4.4129 4.4858 4.4858 4.5538 4.5538 4.6764 4.6764 5.0542 5.0542 5.5630 5.5630 5.8459 5.8459 5.8567 5.8567 6.0253 6.0253 6.1474 6.1474 6.2286 6.2286 6.3934 6.3934 6.3995 6.3995 6.8059 6.8059 7.5974 7.5974 7.9947 7.9947 7.9956 7.9956 10.9892 10.9892 11.3688 11.3688 11.8831 11.8831 12.1353 12.1353 k = 0.0128 0.0074-0.0000 ( 5640 PWs) bands (ev): -18.7087 -18.7087 -18.7035 -18.7035 -5.6068 -5.6068 -5.5737 -5.5737 -3.8107 -3.8107 -3.7879 -3.7879 -3.5967 -3.5967 -3.4523 -3.4523 -0.5786 -0.5786 -0.3456 -0.3456 4.4137 4.4137 4.4862 4.4862 4.5538 4.5538 4.6763 4.6763 5.0544 5.0544 5.5638 5.5638 5.8464 5.8464 5.8569 5.8569 6.0250 6.0250 6.1471 6.1471 6.2285 6.2285 6.3300 6.3300 6.4550 6.4550 6.8180 6.8180 7.5965 7.5965 7.9884 7.9884 8.0000 8.0001 10.9936 10.9936 11.3612 11.3612 11.8763 11.8763 12.1256 12.1256 k = 0.0256 0.0148-0.0000 ( 5626 PWs) bands (ev): -18.7084 -18.7084 -18.7033 -18.7033 -5.6085 -5.6085 -5.5757 -5.5757 -3.8155 -3.8155 -3.7931 -3.7931 -3.5974 -3.5974 -3.4535 -3.4535 -0.5675 -0.5675 -0.3358 -0.3358 4.4159 4.4159 4.4873 4.4873 4.5538 4.5538 4.6758 4.6758 5.0553 5.0553 5.5661 5.5661 5.8477 5.8477 5.8573 5.8573 6.0240 6.0240 6.1462 6.1462 6.2279 6.2279 6.2589 6.2589 6.5040 6.5040 6.8530 6.8530 7.5936 7.5936 7.9799 7.9799 8.0036 8.0036 11.0058 11.0058 11.3396 11.3396 11.8575 11.8575 12.0998 12.0998 k = 0.0385 0.0222-0.0000 ( 5620 PWs) bands (ev): -18.7081 -18.7081 -18.7030 -18.7030 -5.6114 -5.6114 -5.5790 -5.5790 -3.8234 -3.8234 -3.8017 -3.8017 -3.5984 -3.5984 -3.4554 -3.4554 -0.5491 -0.5491 -0.3197 -0.3197 4.4196 4.4196 4.4890 4.4890 4.5539 4.5539 4.6750 4.6750 5.0567 5.0567 5.5700 5.5700 5.8498 5.8498 5.8583 5.8583 6.0223 6.0223 6.1444 6.1444 6.1846 6.1846 6.2281 6.2281 6.5448 6.5448 6.9070 6.9070 7.5886 7.5886 7.9697 7.9697 8.0062 8.0062 11.0211 11.0211 11.3078 11.3078 11.8311 11.8311 12.0642 12.0642 k = 0.0513 0.0296-0.0000 ( 5630 PWs) bands (ev): -18.7075 -18.7075 -18.7025 -18.7025 -5.6154 -5.6154 -5.5836 -5.5836 -3.8345 -3.8345 -3.8136 -3.8136 -3.5997 -3.5997 -3.4578 -3.4578 -0.5238 -0.5238 -0.2975 -0.2975 4.4247 4.4247 4.4915 4.4915 4.5540 4.5540 4.6739 4.6739 5.0587 5.0587 5.5754 5.5754 5.8522 5.8522 5.8599 5.8599 6.0198 6.0198 6.1082 6.1082 6.1447 6.1447 6.2273 6.2273 6.5805 6.5805 6.9747 6.9747 7.5808 7.5808 7.9588 7.9588 8.0083 8.0083 11.0283 11.0283 11.2766 11.2766 11.8006 11.8006 12.0252 12.0252 k = 0.0641 0.0370-0.0000 ( 5630 PWs) bands (ev): -18.7069 -18.7069 -18.7019 -18.7019 -5.6206 -5.6206 -5.5895 -5.5895 -3.8485 -3.8485 -3.8286 -3.8286 -3.6010 -3.6010 -3.4607 -3.4607 -0.4919 -0.4919 -0.2695 -0.2695 4.4312 4.4312 4.4945 4.4945 4.5541 4.5541 4.6726 4.6726 5.0613 5.0613 5.5823 5.5823 5.8546 5.8546 5.8624 5.8624 6.0154 6.0154 6.0366 6.0366 6.1421 6.1421 6.2266 6.2266 6.6146 6.6146 7.0510 7.0510 7.5697 7.5697 7.9482 7.9482 8.0102 8.0102 11.0070 11.0070 11.2662 11.2662 11.7682 11.7682 11.9884 11.9884 k = 0.0769 0.0444-0.0000 ( 5632 PWs) bands (ev): -18.7061 -18.7061 -18.7011 -18.7011 -5.6269 -5.6269 -5.5967 -5.5967 -3.8654 -3.8654 -3.8465 -3.8465 -3.6023 -3.6023 -3.4640 -3.4640 -0.4537 -0.4537 -0.2359 -0.2359 4.4390 4.4390 4.4981 4.4981 4.5542 4.5542 4.6709 4.6709 5.0644 5.0644 5.5906 5.5906 5.8564 5.8564 5.8650 5.8650 5.9638 5.9638 6.0142 6.0142 6.1398 6.1398 6.2259 6.2259 6.6494 6.6494 7.1319 7.1319 7.5553 7.5553 7.9394 7.9394 8.0119 8.0119 10.9471 10.9471 11.2858 11.2858 11.7356 11.7356 11.9584 11.9584 k = 0.0897 0.0518-0.0000 ( 5636 PWs) bands (ev): -18.7052 -18.7052 -18.7003 -18.7003 -5.6342 -5.6342 -5.6051 -5.6051 -3.8849 -3.8849 -3.8671 -3.8671 -3.6035 -3.6035 -3.4674 -3.4674 -0.4098 -0.4098 -0.1973 -0.1973 4.4478 4.4478 4.5022 4.5022 4.5545 4.5545 4.6689 4.6689 5.0683 5.0683 5.6003 5.6003 5.8543 5.8543 5.8618 5.8618 5.9071 5.9071 6.0094 6.0094 6.1377 6.1377 6.2253 6.2253 6.6863 6.6863 7.2140 7.2140 7.5382 7.5382 7.9336 7.9336 8.0137 8.0137 10.8599 10.8599 11.3205 11.3205 11.7073 11.7073 11.9377 11.9377 k = 0.1026 0.0592-0.0000 ( 5640 PWs) bands (ev): -18.7041 -18.7041 -18.6993 -18.6993 -5.6427 -5.6427 -5.6147 -5.6147 -3.9067 -3.9067 -3.8901 -3.8901 -3.6045 -3.6045 -3.4709 -3.4709 -0.3606 -0.3606 -0.1540 -0.1540 4.4577 4.4577 4.5065 4.5065 4.5551 4.5551 4.6666 4.6666 5.0728 5.0728 5.6110 5.6110 5.8097 5.8097 5.8615 5.8615 5.8938 5.8938 6.0043 6.0043 6.1356 6.1356 6.2249 6.2249 6.7260 6.7260 7.2922 7.2922 7.5220 7.5220 7.9312 7.9312 8.0159 8.0159 10.7572 10.7572 11.3499 11.3499 11.6937 11.6937 11.9269 11.9269 k = 0.1154 0.0666-0.0000 ( 5636 PWs) bands (ev): -18.7029 -18.7029 -18.6982 -18.6982 -5.6522 -5.6522 -5.6255 -5.6255 -3.9305 -3.9305 -3.9152 -3.9152 -3.6052 -3.6052 -3.4744 -3.4744 -0.3067 -0.3067 -0.1066 -0.1066 4.4682 4.4682 4.5111 4.5111 4.5561 4.5561 4.6640 4.6640 5.0779 5.0779 5.6223 5.6223 5.7492 5.7492 5.8636 5.8636 5.8992 5.8992 5.9986 5.9986 6.1338 6.1338 6.2247 6.2247 6.7691 6.7691 7.3532 7.3532 7.5192 7.5192 7.9323 7.9323 8.0189 8.0189 10.6460 10.6460 11.3550 11.3550 11.7085 11.7085 11.9255 11.9255 k = 0.1282 0.0740-0.0000 ( 5632 PWs) bands (ev): -18.7017 -18.7017 -18.6970 -18.6970 -5.6627 -5.6627 -5.6374 -5.6374 -3.9561 -3.9561 -3.9419 -3.9419 -3.6057 -3.6057 -3.4779 -3.4779 -0.2487 -0.2487 -0.0555 -0.0555 4.4791 4.4791 4.5156 4.5156 4.5580 4.5580 4.6612 4.6612 5.0839 5.0839 5.6307 5.6307 5.6935 5.6935 5.8662 5.8662 5.9081 5.9081 5.9925 5.9925 6.1324 6.1324 6.2247 6.2247 6.8156 6.8156 7.3724 7.3724 7.5542 7.5542 7.9363 7.9363 8.0236 8.0236 10.5300 10.5300 11.3306 11.3306 11.7541 11.7541 11.9335 11.9335 k = 0.1410 0.0814-0.0000 ( 5640 PWs) bands (ev): -18.7003 -18.7003 -18.6957 -18.6957 -5.6741 -5.6741 -5.6503 -5.6503 -3.9830 -3.9830 -3.9699 -3.9699 -3.6059 -3.6059 -3.4813 -3.4813 -0.1871 -0.1871 -0.0013 -0.0013 4.4896 4.4896 4.5199 4.5199 4.5613 4.5613 4.6581 4.6581 5.0905 5.0905 5.6121 5.6121 5.6689 5.6689 5.8693 5.8693 5.9188 5.9188 5.9859 5.9859 6.1314 6.1314 6.2250 6.2250 6.8655 6.8655 7.3551 7.3551 7.6221 7.6221 7.9416 7.9416 8.0313 8.0313 10.4120 10.4120 11.2854 11.2854 11.8163 11.8163 11.9529 11.9529 k = 0.1538 0.0888-0.0000 ( 5632 PWs) bands (ev): -18.6988 -18.6988 -18.6943 -18.6943 -5.6865 -5.6865 -5.6642 -5.6642 -4.0109 -4.0109 -3.9989 -3.9989 -3.6058 -3.6058 -3.4846 -3.4846 -0.1225 -0.1225 0.0556 0.0556 4.4986 4.4986 4.5246 4.5246 4.5666 4.5666 4.6548 4.6548 5.0980 5.0980 5.5637 5.5637 5.6785 5.6785 5.8729 5.8729 5.9306 5.9306 5.9791 5.9791 6.1311 6.1311 6.2256 6.2256 6.9187 6.9187 7.3233 7.3233 7.7001 7.7001 7.9472 7.9472 8.0437 8.0437 10.2941 10.2941 11.2290 11.2290 11.8747 11.8747 11.9919 11.9919 k = 0.1667 0.0962-0.0000 ( 5640 PWs) bands (ev): -18.6972 -18.6972 -18.6929 -18.6929 -5.6997 -5.6997 -5.6790 -5.6790 -4.0395 -4.0395 -4.0286 -4.0286 -3.6054 -3.6054 -3.4878 -3.4878 -0.0554 -0.0554 0.1146 0.1146 4.5045 4.5045 4.5306 4.5306 4.5742 4.5742 4.6512 4.6512 5.1063 5.1063 5.5137 5.5137 5.6948 5.6948 5.8769 5.8769 5.9433 5.9433 5.9725 5.9725 6.1313 6.1313 6.2266 6.2266 6.9748 6.9748 7.2865 7.2865 7.7771 7.7771 7.9537 7.9537 8.0623 8.0623 10.1777 10.1777 11.1668 11.1668 11.9135 11.9135 12.0560 12.0560 k = 0.1795 0.1036-0.0000 ( 5622 PWs) bands (ev): -18.6956 -18.6956 -18.6913 -18.6913 -5.7136 -5.7136 -5.6946 -5.6946 -4.0686 -4.0686 -4.0586 -4.0586 -3.6049 -3.6049 -3.4908 -3.4908 0.0136 0.0136 0.1752 0.1752 4.5067 4.5067 4.5381 4.5381 4.5842 4.5842 4.6475 4.6475 5.1154 5.1154 5.4665 5.4665 5.7132 5.7132 5.8814 5.8814 5.9557 5.9557 5.9673 5.9673 6.1322 6.1322 6.2280 6.2280 7.0332 7.0332 7.2485 7.2485 7.8419 7.8419 7.9682 7.9682 8.0877 8.0877 10.0643 10.0643 11.1018 11.1018 11.9362 11.9362 12.1204 12.1204 k = 0.1923 0.1110-0.0000 ( 5618 PWs) bands (ev): -18.6938 -18.6938 -18.6897 -18.6897 -5.7283 -5.7283 -5.7109 -5.7109 -4.0977 -4.0977 -4.0886 -4.0886 -3.6040 -3.6040 -3.4937 -3.4937 0.0841 0.0841 0.2369 0.2369 4.5061 4.5061 4.5464 4.5464 4.5962 4.5962 4.6437 4.6437 5.1254 5.1254 5.4229 5.4229 5.7331 5.7331 5.8864 5.8864 5.9572 5.9572 5.9745 5.9745 6.1339 6.1339 6.2297 6.2297 7.0916 7.0916 7.2130 7.2130 7.8756 7.8756 8.0072 8.0072 8.1206 8.1206 9.9550 9.9550 11.0357 11.0357 11.9438 11.9438 12.0917 12.0917 k = 0.2051 0.1184-0.0000 ( 5618 PWs) bands (ev): -18.6921 -18.6921 -18.6881 -18.6881 -5.7437 -5.7437 -5.7279 -5.7279 -4.1267 -4.1267 -4.1184 -4.1184 -3.6030 -3.6030 -3.4966 -3.4966 0.1554 0.1554 0.2993 0.2993 4.5038 4.5038 4.5546 4.5546 4.6099 4.6099 4.6397 4.6397 5.1361 5.1361 5.3831 5.3831 5.7542 5.7542 5.8916 5.8916 5.9524 5.9524 5.9895 5.9895 6.1364 6.1364 6.2318 6.2318 7.1331 7.1331 7.1972 7.1972 7.8794 7.8794 8.0671 8.0671 8.1626 8.1626 9.8510 9.8510 10.9695 10.9695 11.9170 11.9170 12.0545 12.0545 k = 0.2179 0.1258-0.0000 ( 5622 PWs) bands (ev): -18.6903 -18.6903 -18.6864 -18.6864 -5.7595 -5.7595 -5.7454 -5.7454 -4.1554 -4.1554 -4.1477 -4.1477 -3.6017 -3.6017 -3.4993 -3.4993 0.2271 0.2271 0.3619 0.3619 4.5004 4.5004 4.5623 4.5623 4.6246 4.6246 4.6359 4.6359 5.1477 5.1477 5.3474 5.3474 5.7762 5.7762 5.8967 5.8967 5.9483 5.9483 6.0059 6.0059 6.1398 6.1398 6.2342 6.2342 7.1180 7.1180 7.2410 7.2410 7.8693 7.8693 8.1287 8.1287 8.2164 8.2164 9.7532 9.7532 10.9038 10.9038 11.8413 11.8413 12.0466 12.0466 k = 0.2308 0.1332-0.0000 ( 5618 PWs) bands (ev): -18.6884 -18.6884 -18.6847 -18.6847 -5.7758 -5.7758 -5.7633 -5.7633 -4.1835 -4.1835 -4.1764 -4.1764 -3.6002 -3.6002 -3.5019 -3.5019 0.2988 0.2988 0.4243 0.4243 4.4963 4.4963 4.5695 4.5695 4.6321 4.6321 4.6402 4.6402 5.1598 5.1598 5.3160 5.3160 5.7990 5.7990 5.9014 5.9014 5.9461 5.9461 6.0232 6.0232 6.1440 6.1440 6.2371 6.2371 7.0865 7.0865 7.3033 7.3033 7.8529 7.8529 8.1844 8.1844 8.2819 8.2819 9.6626 9.6626 10.8392 10.8392 11.7374 11.7374 12.0504 12.0504 k = 0.2436 0.1406-0.0000 ( 5614 PWs) bands (ev): -18.6865 -18.6865 -18.6830 -18.6830 -5.7925 -5.7925 -5.7814 -5.7814 -4.2109 -4.2109 -4.2042 -4.2042 -3.5986 -3.5986 -3.5044 -3.5044 0.3699 0.3699 0.4859 0.4859 4.4918 4.4918 4.5760 4.5760 4.6288 4.6288 4.6558 4.6558 5.1720 5.1720 5.2892 5.2892 5.8222 5.8222 5.9052 5.9052 5.9466 5.9466 6.0413 6.0413 6.1493 6.1493 6.2403 6.2403 7.0548 7.0548 7.3664 7.3664 7.8339 7.8339 8.2362 8.2362 8.3547 8.3547 9.5799 9.5799 10.7760 10.7760 11.6193 11.6193 12.0536 12.0536 k = 0.2564 0.1480-0.0000 ( 5614 PWs) bands (ev): -18.6847 -18.6847 -18.6812 -18.6812 -5.8094 -5.8094 -5.7997 -5.7997 -4.2374 -4.2374 -4.2311 -4.2311 -3.5968 -3.5968 -3.5068 -3.5068 0.4400 0.4400 0.5465 0.5465 4.4869 4.4869 4.5817 4.5817 4.6261 4.6261 4.6712 4.6712 5.1830 5.1830 5.2682 5.2682 5.8456 5.8456 5.9079 5.9079 5.9502 5.9502 6.0602 6.0602 6.1555 6.1555 6.2439 6.2439 7.0253 7.0253 7.4241 7.4241 7.8168 7.8168 8.2875 8.2875 8.4303 8.4303 9.5056 9.5056 10.7144 10.7144 11.4927 11.4927 12.0517 12.0517 k = 0.2692 0.1554-0.0000 ( 5616 PWs) bands (ev): -18.6828 -18.6828 -18.6795 -18.6795 -5.8265 -5.8265 -5.8179 -5.8179 -4.2630 -4.2630 -4.2568 -4.2568 -3.5949 -3.5949 -3.5092 -3.5092 0.5087 0.5087 0.6056 0.6056 4.4818 4.4818 4.5865 4.5865 4.6242 4.6242 4.6863 4.6863 5.1899 5.1899 5.2558 5.2558 5.8683 5.8683 5.9104 5.9104 5.9565 5.9565 6.0798 6.0798 6.1628 6.1628 6.2478 6.2478 6.9986 6.9986 7.4684 7.4684 7.8090 7.8090 8.3397 8.3397 8.5065 8.5065 9.4403 9.4403 10.6548 10.6548 11.3609 11.3609 12.0429 12.0429 k = 0.2821 0.1628-0.0000 ( 5632 PWs) bands (ev): -18.6809 -18.6809 -18.6778 -18.6778 -5.8437 -5.8437 -5.8360 -5.8360 -4.2875 -4.2875 -4.2814 -4.2814 -3.5928 -3.5928 -3.5114 -3.5114 0.5756 0.5756 0.6629 0.6629 4.4764 4.4764 4.5903 4.5903 4.6234 4.6234 4.7008 4.7008 5.1888 5.1888 5.2558 5.2558 5.8886 5.8886 5.9150 5.9150 5.9650 5.9650 6.1003 6.1003 6.1712 6.1712 6.2521 6.2521 6.9753 6.9753 7.4887 7.4887 7.8211 7.8211 8.3932 8.3932 8.5823 8.5823 9.3840 9.3840 10.5974 10.5974 11.2263 11.2263 12.0263 12.0263 k = 0.2949 0.1702-0.0000 ( 5644 PWs) bands (ev): -18.6791 -18.6791 -18.6761 -18.6761 -5.8608 -5.8608 -5.8537 -5.8537 -4.3108 -4.3108 -4.3048 -4.3048 -3.5906 -3.5906 -3.5136 -3.5136 0.6404 0.6404 0.7180 0.7180 4.4708 4.4708 4.5932 4.5932 4.6235 4.6235 4.7144 4.7144 5.1812 5.1812 5.2664 5.2664 5.9021 5.9021 5.9262 5.9262 5.9751 5.9751 6.1215 6.1215 6.1805 6.1805 6.2567 6.2567 6.9555 6.9555 7.4793 7.4793 7.8585 7.8585 8.4481 8.4481 8.6570 8.6570 9.3367 9.3367 10.5423 10.5423 11.0906 11.0906 12.0018 12.0018 k = 0.3077 0.1776-0.0000 ( 5638 PWs) bands (ev): -18.6773 -18.6773 -18.6745 -18.6745 -5.8778 -5.8778 -5.8710 -5.8710 -4.3328 -4.3328 -4.3268 -4.3268 -3.5883 -3.5883 -3.5158 -3.5158 0.7027 0.7027 0.7707 0.7707 4.4651 4.4651 4.5956 4.5956 4.6245 4.6245 4.7272 4.7272 5.1718 5.1718 5.2827 5.2827 5.9093 5.9093 5.9436 5.9436 5.9866 5.9866 6.1435 6.1435 6.1908 6.1908 6.2617 6.2617 6.9395 6.9395 7.4457 7.4457 7.9160 7.9160 8.5040 8.5040 8.7306 8.7306 9.2982 9.2982 10.4896 10.4896 10.9553 10.9553 11.9700 11.9700 k = 0.3205 0.1850-0.0000 ( 5636 PWs) bands (ev): -18.6755 -18.6755 -18.6729 -18.6729 -5.8945 -5.8945 -5.8876 -5.8876 -4.3535 -4.3535 -4.3475 -4.3475 -3.5860 -3.5860 -3.5178 -3.5178 0.7621 0.7621 0.8207 0.8207 4.4591 4.4591 4.5976 4.5976 4.6260 4.6260 4.7389 4.7389 5.1632 5.1632 5.3020 5.3020 5.9154 5.9154 5.9620 5.9620 5.9992 5.9992 6.1660 6.1660 6.2019 6.2019 6.2671 6.2671 6.9274 6.9274 7.3962 7.3962 7.9852 7.9852 8.5605 8.5605 8.8027 8.8027 9.2682 9.2682 10.4396 10.4396 10.8217 10.8217 11.9322 11.9322 k = 0.3333 0.1925-0.0000 ( 5640 PWs) bands (ev): -18.6738 -18.6738 -18.6714 -18.6714 -5.9108 -5.9108 -5.9036 -5.9036 -4.3729 -4.3729 -4.3668 -4.3668 -3.5835 -3.5835 -3.5199 -3.5199 0.8185 0.8185 0.8679 0.8679 4.4529 4.4529 4.5998 4.5998 4.6277 4.6277 4.7496 4.7496 5.1559 5.1559 5.3231 5.3231 5.9224 5.9224 5.9796 5.9796 6.0125 6.0125 6.1889 6.1889 6.2136 6.2136 6.2730 6.2730 6.9194 6.9194 7.3370 7.3370 8.0604 8.0604 8.6169 8.6169 8.8733 8.8733 9.2463 9.2463 10.3924 10.3924 10.6910 10.6910 11.8895 11.8895 k = 0.3462 0.1999-0.0000 ( 5644 PWs) bands (ev): -18.6722 -18.6722 -18.6699 -18.6699 -5.9266 -5.9266 -5.9188 -5.9188 -4.3909 -4.3909 -4.3847 -4.3847 -3.5811 -3.5811 -3.5219 -3.5219 0.8715 0.8715 0.9119 0.9119 4.4466 4.4466 4.6021 4.6021 4.6293 4.6293 4.7593 4.7593 5.1504 5.1504 5.3454 5.3454 5.9307 5.9307 5.9963 5.9963 6.0260 6.0260 6.2116 6.2116 6.2258 6.2258 6.2795 6.2795 6.9151 6.9151 7.2716 7.2716 8.1384 8.1384 8.6723 8.6723 8.9422 8.9422 9.2319 9.2319 10.3480 10.3480 10.5642 10.5642 11.8433 11.8433 k = 0.3590 0.2073-0.0000 ( 5634 PWs) bands (ev): -18.6707 -18.6707 -18.6685 -18.6685 -5.9416 -5.9416 -5.9332 -5.9332 -4.4075 -4.4075 -4.4011 -4.4011 -3.5786 -3.5786 -3.5238 -3.5238 0.9208 0.9208 0.9528 0.9528 4.4402 4.4402 4.6046 4.6046 4.6309 4.6309 4.7679 4.7679 5.1464 5.1464 5.3686 5.3686 5.9402 5.9402 6.0129 6.0129 6.0392 6.0392 6.2321 6.2321 6.2393 6.2393 6.2869 6.2869 6.9144 6.9144 7.2024 7.2024 8.2170 8.2170 8.7257 8.7257 9.0095 9.0095 9.2249 9.2249 10.3064 10.3064 10.4425 10.4425 11.7947 11.7947 k = 0.3718 0.2147-0.0000 ( 5628 PWs) bands (ev): -18.6693 -18.6693 -18.6672 -18.6672 -5.9557 -5.9557 -5.9467 -5.9467 -4.4227 -4.4227 -4.4162 -4.4162 -3.5761 -3.5761 -3.5257 -3.5257 0.9661 0.9661 0.9905 0.9905 4.4339 4.4339 4.6071 4.6071 4.6324 4.6324 4.7755 4.7755 5.1438 5.1438 5.3923 5.3923 5.9506 5.9506 6.0301 6.0301 6.0516 6.0516 6.2457 6.2457 6.2580 6.2580 6.2955 6.2955 6.9161 6.9161 7.1319 7.1319 8.2946 8.2946 8.7757 8.7757 9.0747 9.0747 9.2251 9.2251 10.2669 10.2669 10.3275 10.3275 11.7441 11.7441 k = 0.3846 0.2221-0.0000 ( 5632 PWs) bands (ev): -18.6679 -18.6679 -18.6661 -18.6661 -5.9689 -5.9689 -5.9591 -5.9591 -4.4364 -4.4364 -4.4298 -4.4298 -3.5736 -3.5736 -3.5275 -3.5275 1.0069 1.0069 1.0253 1.0253 4.4277 4.4277 4.6094 4.6094 4.6340 4.6340 4.7822 4.7822 5.1424 5.1424 5.4160 5.4160 5.9616 5.9616 6.0489 6.0489 6.0631 6.0631 6.2556 6.2556 6.2770 6.2770 6.3061 6.3061 6.9176 6.9176 7.0633 7.0633 8.3701 8.3701 8.8212 8.8212 9.1375 9.1375 9.2326 9.2326 10.2098 10.2098 10.2401 10.2401 11.6902 11.6902 k = 0.3974 0.2295-0.0000 ( 5634 PWs) bands (ev): -18.6667 -18.6667 -18.6650 -18.6650 -5.9809 -5.9809 -5.9705 -5.9705 -4.4487 -4.4487 -4.4419 -4.4419 -3.5712 -3.5712 -3.5294 -3.5294 1.0427 1.0427 1.0575 1.0575 4.4217 4.4217 4.6111 4.6111 4.6359 4.6359 4.7880 4.7880 5.1420 5.1420 5.4394 5.4394 5.9723 5.9723 6.0683 6.0683 6.0754 6.0754 6.2638 6.2638 6.2929 6.2929 6.3193 6.3193 6.9090 6.9090 7.0069 7.0069 8.4422 8.4422 8.8607 8.8607 9.1958 9.1958 9.2488 9.2488 10.1117 10.1117 10.2046 10.2046 11.6276 11.6276 k = 0.4103 0.2369-0.0000 ( 5638 PWs) bands (ev): -18.6656 -18.6656 -18.6640 -18.6640 -5.9918 -5.9918 -5.9808 -5.9808 -4.4595 -4.4595 -4.4527 -4.4527 -3.5688 -3.5688 -3.5311 -3.5311 1.0728 1.0728 1.0877 1.0877 4.4161 4.4161 4.6122 4.6122 4.6381 4.6381 4.7930 4.7930 5.1422 5.1422 5.4618 5.4618 5.9824 5.9824 6.0801 6.0801 6.0976 6.0976 6.2705 6.2705 6.3054 6.3054 6.3349 6.3349 6.8692 6.8692 6.9838 6.9838 8.5100 8.5100 8.8935 8.8935 9.2423 9.2423 9.2799 9.2799 10.0183 10.0183 10.1759 10.1759 11.5503 11.5503 k = 0.4231 0.2443-0.0000 ( 5636 PWs) bands (ev): -18.6646 -18.6646 -18.6632 -18.6632 -6.0014 -6.0014 -5.9898 -5.9898 -4.4689 -4.4689 -4.4620 -4.4620 -3.5666 -3.5666 -3.5329 -3.5329 1.0975 1.0975 1.1154 1.1154 4.4111 4.4111 4.6126 4.6126 4.6405 4.6405 4.7972 4.7972 5.1429 5.1429 5.4828 5.4828 5.9913 5.9913 6.0879 6.0879 6.1263 6.1263 6.2760 6.2760 6.3151 6.3151 6.3511 6.3511 6.8061 6.8061 6.9858 6.9858 8.5723 8.5723 8.9192 8.9192 9.2732 9.2732 9.3279 9.3279 9.9332 9.9332 10.1511 10.1511 11.4665 11.4665 k = 0.4359 0.2517-0.0000 ( 5640 PWs) bands (ev): -18.6637 -18.6637 -18.6625 -18.6625 -6.0096 -6.0096 -5.9975 -5.9975 -4.4768 -4.4768 -4.4698 -4.4698 -3.5644 -3.5644 -3.5345 -3.5345 1.1178 1.1178 1.1395 1.1395 4.4066 4.4066 4.6125 4.6125 4.6430 4.6430 4.8006 4.8006 5.1438 5.1438 5.5018 5.5018 5.9989 5.9989 6.0943 6.0943 6.1595 6.1595 6.2804 6.2804 6.3230 6.3230 6.3666 6.3666 6.7374 6.7374 6.9949 6.9949 8.6282 8.6282 8.9382 8.9382 9.2999 9.2999 9.3792 9.3792 9.8570 9.8570 10.1300 10.1300 11.3866 11.3866 k = 0.4487 0.2591-0.0000 ( 5630 PWs) bands (ev): -18.6630 -18.6630 -18.6619 -18.6619 -6.0164 -6.0164 -6.0040 -6.0040 -4.4833 -4.4833 -4.4762 -4.4762 -3.5625 -3.5625 -3.5360 -3.5360 1.1340 1.1340 1.1596 1.1596 4.4028 4.4028 4.6122 4.6122 4.6454 4.6454 4.8034 4.8034 5.1449 5.1449 5.5181 5.5181 6.0051 6.0051 6.0995 6.0995 6.1968 6.1968 6.2840 6.2840 6.3295 6.3295 6.3803 6.3803 6.6688 6.6688 7.0053 7.0053 8.6764 8.6764 8.9512 8.9512 9.3250 9.3250 9.4283 9.4283 9.7899 9.7899 10.1126 10.1126 11.3162 11.3162 k = 0.4615 0.2665-0.0000 ( 5622 PWs) bands (ev): -18.6625 -18.6625 -18.6614 -18.6614 -6.0217 -6.0217 -6.0090 -6.0090 -4.4883 -4.4883 -4.4812 -4.4812 -3.5608 -3.5608 -3.5374 -3.5374 1.1465 1.1465 1.1754 1.1754 4.3998 4.3998 4.6117 4.6117 4.6474 4.6474 4.8055 4.8055 5.1458 5.1458 5.5314 5.5314 6.0099 6.0099 6.1035 6.1035 6.2374 6.2374 6.2871 6.2871 6.3350 6.3350 6.3913 6.3913 6.6023 6.6023 7.0148 7.0148 8.7160 8.7160 8.9594 8.9594 9.3473 9.3473 9.4740 9.4740 9.7314 9.7314 10.0990 10.0990 11.2583 11.2583 k = 0.4744 0.2739-0.0000 ( 5620 PWs) bands (ev): -18.6621 -18.6621 -18.6611 -18.6611 -6.0256 -6.0256 -6.0126 -6.0126 -4.4919 -4.4919 -4.4848 -4.4848 -3.5594 -3.5594 -3.5385 -3.5385 1.1554 1.1554 1.1868 1.1868 4.3976 4.3976 4.6112 4.6112 4.6489 4.6489 4.8070 4.8070 5.1466 5.1466 5.5412 5.5412 6.0133 6.0133 6.1063 6.1063 6.2763 6.2763 6.2926 6.2926 6.3408 6.3408 6.3989 6.3989 6.5400 6.5400 7.0223 7.0223 8.7458 8.7458 8.9639 8.9639 9.3650 9.3650 9.5162 9.5162 9.6807 9.6807 10.0893 10.0893 11.2153 11.2153 k = 0.4872 0.2813-0.0000 ( 5620 PWs) bands (ev): -18.6618 -18.6618 -18.6609 -18.6609 -6.0279 -6.0279 -6.0148 -6.0148 -4.4941 -4.4941 -4.4869 -4.4869 -3.5585 -3.5585 -3.5392 -3.5392 1.1607 1.1607 1.1936 1.1936 4.3963 4.3963 4.6109 4.6109 4.6498 4.6498 4.8079 4.8079 5.1471 5.1471 5.5472 5.5472 6.0153 6.0153 6.1079 6.1079 6.2870 6.2870 6.3174 6.3174 6.3545 6.3545 6.4001 6.4001 6.4867 6.4867 7.0271 7.0271 8.7643 8.7643 8.9659 8.9659 9.3765 9.3765 9.5556 9.5556 9.6363 9.6363 10.0834 10.0834 11.1887 11.1887 k = 0.5000 0.2887-0.0000 ( 5614 PWs) bands (ev): -18.6617 -18.6617 -18.6608 -18.6608 -6.0287 -6.0287 -6.0155 -6.0155 -4.4948 -4.4948 -4.4876 -4.4876 -3.5582 -3.5582 -3.5395 -3.5395 1.1625 1.1625 1.1959 1.1959 4.3958 4.3958 4.6108 4.6108 4.6502 4.6502 4.8082 4.8082 5.1472 5.1472 5.5492 5.5492 6.0160 6.0160 6.1085 6.1085 6.2880 6.2880 6.3264 6.3264 6.3821 6.3821 6.3872 6.3872 6.4613 6.4613 7.0287 7.0287 8.7707 8.7707 8.9665 8.9665 9.3805 9.3805 9.5883 9.5883 9.6021 9.6021 10.0814 10.0814 11.1797 11.1797 k = 0.5000 0.2887-0.0000 ( 5614 PWs) bands (ev): -18.6617 -18.6617 -18.6608 -18.6608 -6.0287 -6.0287 -6.0155 -6.0155 -4.4948 -4.4948 -4.4876 -4.4876 -3.5582 -3.5582 -3.5395 -3.5395 1.1625 1.1625 1.1959 1.1959 4.3958 4.3958 4.6108 4.6108 4.6502 4.6502 4.8082 4.8082 5.1472 5.1472 5.5492 5.5492 6.0160 6.0160 6.1085 6.1085 6.2880 6.2880 6.3264 6.3264 6.3821 6.3821 6.3872 6.3872 6.4613 6.4613 7.0287 7.0287 8.7707 8.7707 8.9665 8.9665 9.3805 9.3805 9.5883 9.5883 9.6021 9.6021 10.0814 10.0814 11.1797 11.1797 k = 0.4928 0.3012-0.0000 ( 5618 PWs) bands (ev): -18.6617 -18.6617 -18.6608 -18.6608 -6.0365 -6.0365 -6.0075 -6.0075 -4.5166 -4.5166 -4.4669 -4.4669 -3.5599 -3.5599 -3.5385 -3.5385 1.1585 1.1585 1.2033 1.2033 4.3963 4.3963 4.6108 4.6108 4.6500 4.6500 4.8080 4.8080 5.1480 5.1480 5.5500 5.5500 6.0139 6.0139 6.1072 6.1072 6.2829 6.2829 6.3253 6.3253 6.3865 6.3865 6.3915 6.3915 6.4615 6.4615 7.0307 7.0307 8.7578 8.7578 8.9615 8.9615 9.3648 9.3648 9.5880 9.5880 9.6138 9.6138 10.1070 10.1070 11.1747 11.1747 k = 0.4855 0.3138-0.0000 ( 5624 PWs) bands (ev): -18.6617 -18.6617 -18.6607 -18.6607 -6.0483 -6.0483 -5.9951 -5.9951 -4.5425 -4.5425 -4.4440 -4.4440 -3.5641 -3.5641 -3.5362 -3.5362 1.1519 1.1519 1.2201 1.2201 4.3976 4.3976 4.6108 4.6108 4.6494 4.6494 4.8074 4.8074 5.1502 5.1502 5.5526 5.5526 6.0078 6.0078 6.1036 6.1036 6.2712 6.2712 6.3237 6.3237 6.3854 6.3854 6.4123 6.4123 6.4633 6.4633 7.0366 7.0366 8.7225 8.7225 8.9424 8.9424 9.3274 9.3274 9.5948 9.5948 9.6395 9.6395 10.1766 10.1766 11.1601 11.1601 k = 0.4783 0.3263-0.0000 ( 5622 PWs) bands (ev): -18.6615 -18.6615 -18.6606 -18.6606 -6.0603 -6.0603 -5.9820 -5.9820 -4.5693 -4.5693 -4.4222 -4.4222 -3.5699 -3.5699 -3.5337 -3.5337 1.1469 1.1469 1.2418 1.2418 4.3998 4.3998 4.6108 4.6108 4.6486 4.6486 4.8063 4.8063 5.1541 5.1541 5.5569 5.5569 5.9978 5.9978 6.0979 6.0979 6.2583 6.2583 6.3226 6.3226 6.3834 6.3834 6.4322 6.4322 6.4726 6.4726 7.0463 7.0463 8.6715 8.6715 8.9024 8.9024 9.2847 9.2847 9.6122 9.6122 9.6728 9.6728 10.2767 10.2767 11.1368 11.1368 k = 0.4710 0.3389-0.0000 ( 5626 PWs) bands (ev): -18.6614 -18.6614 -18.6604 -18.6604 -6.0722 -6.0722 -5.9687 -5.9687 -4.5969 -4.5969 -4.4016 -4.4016 -3.5766 -3.5766 -3.5313 -3.5313 1.1447 1.1447 1.2670 1.2670 4.4028 4.4028 4.6108 4.6108 4.6474 4.6474 4.8049 4.8049 5.1595 5.1595 5.5629 5.5629 5.9843 5.9843 6.0907 6.0907 6.2467 6.2467 6.3217 6.3217 6.3806 6.3806 6.4392 6.4392 6.4984 6.4984 7.0596 7.0596 8.6101 8.6101 8.8399 8.8399 9.2457 9.2457 9.6403 9.6403 9.7113 9.7113 10.3960 10.3960 11.1066 11.1066 k = 0.4638 0.3514-0.0000 ( 5616 PWs) bands (ev): -18.6612 -18.6612 -18.6602 -18.6602 -6.0838 -6.0838 -5.9553 -5.9553 -4.6250 -4.6250 -4.3823 -4.3823 -3.5842 -3.5842 -3.5292 -3.5292 1.1453 1.1453 1.2952 1.2952 4.4065 4.4065 4.6107 4.6107 4.6460 4.6460 4.8031 4.8031 5.1666 5.1666 5.5706 5.5706 5.9681 5.9681 6.0825 6.0825 6.2372 6.2372 6.3206 6.3206 6.3771 6.3771 6.4381 6.4381 6.5344 6.5344 7.0764 7.0764 8.5419 8.5419 8.7601 8.7601 9.2113 9.2113 9.6769 9.6769 9.7541 9.7541 10.5269 10.5269 11.0720 11.0720 k = 0.4565 0.3640-0.0000 ( 5614 PWs) bands (ev): -18.6610 -18.6610 -18.6600 -18.6600 -6.0951 -6.0951 -5.9418 -5.9418 -4.6536 -4.6536 -4.3641 -4.3641 -3.5922 -3.5922 -3.5276 -3.5276 1.1488 1.1488 1.3258 1.3258 4.4110 4.4110 4.6105 4.6105 4.6443 4.6443 4.8008 4.8008 5.1755 5.1755 5.5800 5.5800 5.9500 5.9500 6.0737 6.0737 6.2295 6.2295 6.3193 6.3193 6.3730 6.3730 6.4341 6.4341 6.5746 6.5746 7.0965 7.0965 8.4688 8.4688 8.6698 8.6698 9.1793 9.1793 9.7193 9.7193 9.8006 9.8006 10.6633 10.6633 11.0369 11.0369 k = 0.4493 0.3765-0.0000 ( 5618 PWs) bands (ev): -18.6607 -18.6607 -18.6597 -18.6597 -6.1060 -6.1060 -5.9284 -5.9284 -4.6824 -4.6824 -4.3473 -4.3473 -3.6007 -3.6007 -3.5263 -3.5263 1.1549 1.1549 1.3585 1.3585 4.4161 4.4161 4.6102 4.6102 4.6424 4.6424 4.7982 4.7982 5.1863 5.1863 5.5911 5.5911 5.9307 5.9307 6.0646 6.0646 6.2235 6.2235 6.3176 6.3176 6.3682 6.3682 6.4287 6.4287 6.6173 6.6173 7.1197 7.1197 8.3925 8.3925 8.5743 8.5743 9.1476 9.1476 9.7648 9.7648 9.8503 9.8503 10.7934 10.7934 11.0123 11.0123 k = 0.4420 0.3891-0.0000 ( 5628 PWs) bands (ev): -18.6604 -18.6604 -18.6594 -18.6594 -6.1166 -6.1166 -5.9150 -5.9150 -4.7112 -4.7112 -4.3318 -4.3318 -3.6095 -3.6095 -3.5253 -3.5253 1.1635 1.1635 1.3928 1.3928 4.4217 4.4217 4.6096 4.6096 4.6405 4.6405 4.7952 4.7952 5.1991 5.1991 5.6037 5.6037 5.9110 5.9110 6.0554 6.0554 6.2187 6.2187 6.3154 6.3154 6.3630 6.3630 6.4224 6.4224 6.6616 6.6616 7.1456 7.1456 8.3138 8.3138 8.4773 8.4773 9.1148 9.1148 9.8113 9.8113 9.9029 9.9029 10.8698 10.8698 11.0437 11.0437 k = 0.4348 0.4016-0.0000 ( 5610 PWs) bands (ev): -18.6601 -18.6601 -18.6590 -18.6590 -6.1267 -6.1267 -5.9019 -5.9019 -4.7399 -4.7399 -4.3175 -4.3175 -3.6184 -3.6184 -3.5246 -3.5246 1.1741 1.1741 1.4282 1.4282 4.4277 4.4277 4.6088 4.6088 4.6385 4.6385 4.7918 4.7918 5.2139 5.2139 5.6177 5.6177 5.8916 5.8916 6.0465 6.0465 6.2149 6.2149 6.3124 6.3124 6.3574 6.3574 6.4155 6.4155 6.7070 6.7070 7.1742 7.1742 8.2335 8.2335 8.3813 8.3813 9.0800 9.0800 9.8577 9.8577 9.9574 9.9574 10.8634 10.8634 11.0712 11.0712 k = 0.4275 0.4142-0.0000 ( 5610 PWs) bands (ev): -18.6598 -18.6598 -18.6587 -18.6587 -6.1364 -6.1364 -5.8890 -5.8890 -4.7682 -4.7682 -4.3046 -4.3046 -3.6274 -3.6274 -3.5242 -3.5242 1.1864 1.1864 1.4642 1.4642 4.4341 4.4341 4.6076 4.6076 4.6367 4.6367 4.7881 4.7881 5.2308 5.2308 5.6327 5.6327 5.8731 5.8731 6.0380 6.0380 6.2117 6.2117 6.3087 6.3087 6.3511 6.3511 6.4085 6.4085 6.7532 6.7532 7.2052 7.2052 8.1523 8.1523 8.2878 8.2878 9.0427 9.0427 9.9031 9.9031 10.0129 10.0129 10.8353 10.8353 11.0144 11.0144 k = 0.4203 0.4267-0.0000 ( 5610 PWs) bands (ev): -18.6594 -18.6594 -18.6583 -18.6583 -6.1457 -6.1457 -5.8764 -5.8764 -4.7959 -4.7959 -4.2929 -4.2929 -3.6362 -3.6362 -3.5239 -3.5239 1.2001 1.2001 1.5003 1.5003 4.4407 4.4407 4.6061 4.6061 4.6350 4.6350 4.7842 4.7842 5.2498 5.2498 5.6483 5.6483 5.8563 5.8563 6.0301 6.0301 6.2088 6.2088 6.3040 6.3040 6.3441 6.3441 6.4019 6.4019 6.7998 6.7998 7.2384 7.2384 8.0709 8.0709 8.1980 8.1980 9.0022 9.0022 9.9473 9.9473 10.0686 10.0686 10.8061 10.8061 10.9568 10.9568 k = 0.4130 0.4393-0.0000 ( 5610 PWs) bands (ev): -18.6591 -18.6591 -18.6579 -18.6579 -6.1544 -6.1544 -5.8643 -5.8643 -4.8228 -4.8228 -4.2825 -4.2825 -3.6447 -3.6447 -3.5239 -3.5239 1.2147 1.2147 1.5360 1.5360 4.4474 4.4474 4.6042 4.6042 4.6336 4.6336 4.7800 4.7800 5.2711 5.2711 5.6635 5.6635 5.8422 5.8422 6.0231 6.0231 6.2060 6.2060 6.2985 6.2985 6.3360 6.3360 6.3962 6.3962 6.8467 6.8467 7.2735 7.2735 7.9901 7.9901 8.1126 8.1126 8.9583 8.9583 9.9901 9.9901 10.1234 10.1234 10.7800 10.7800 10.9023 10.9023 k = 0.4058 0.4518-0.0000 ( 5612 PWs) bands (ev): -18.6587 -18.6587 -18.6575 -18.6575 -6.1626 -6.1626 -5.8528 -5.8528 -4.8485 -4.8485 -4.2734 -4.2734 -3.6528 -3.6528 -3.5239 -3.5239 1.2298 1.2298 1.5707 1.5707 4.4541 4.4541 4.6018 4.6018 4.6324 4.6324 4.7756 4.7756 5.2944 5.2944 5.6766 5.6766 5.8325 5.8326 6.0170 6.0170 6.2028 6.2028 6.2922 6.2922 6.3266 6.3266 6.3920 6.3920 6.8934 6.8934 7.3102 7.3102 7.9110 7.9110 8.0321 8.0321 8.9107 8.9107 10.0317 10.0317 10.1765 10.1765 10.7579 10.7579 10.8530 10.8530 k = 0.3986 0.4644-0.0000 ( 5608 PWs) bands (ev): -18.6583 -18.6583 -18.6571 -18.6571 -6.1702 -6.1702 -5.8419 -5.8419 -4.8728 -4.8728 -4.2655 -4.2655 -3.6604 -3.6604 -3.5240 -3.5240 1.2451 1.2451 1.6040 1.6040 4.4608 4.4608 4.5992 4.5992 4.6316 4.6316 4.7712 4.7712 5.3196 5.3196 5.6853 5.6853 5.8294 5.8294 6.0120 6.0120 6.1989 6.1989 6.2852 6.2852 6.3160 6.3160 6.3895 6.3895 6.9398 6.9398 7.3478 7.3478 7.8346 7.8346 7.9570 7.9570 8.8597 8.8597 10.0721 10.0721 10.2272 10.2272 10.7376 10.7376 10.8119 10.8119 k = 0.3913 0.4769-0.0000 ( 5602 PWs) bands (ev): -18.6580 -18.6580 -18.6567 -18.6567 -6.1772 -6.1772 -5.8318 -5.8318 -4.8955 -4.8955 -4.2588 -4.2588 -3.6674 -3.6674 -3.5242 -3.5242 1.2601 1.2601 1.6354 1.6354 4.4673 4.4673 4.5962 4.5962 4.6312 4.6312 4.7668 4.7668 5.3466 5.3466 5.6876 5.6876 5.8346 5.8346 6.0080 6.0080 6.1941 6.1941 6.2769 6.2769 6.3050 6.3050 6.3887 6.3887 6.9855 6.9855 7.3852 7.3852 7.7622 7.7622 7.8880 7.8880 8.8057 8.8057 10.1115 10.1115 10.2748 10.2748 10.7148 10.7148 10.7842 10.7842 k = 0.3841 0.4895-0.0000 ( 5600 PWs) bands (ev): -18.6576 -18.6576 -18.6564 -18.6564 -6.1836 -6.1836 -5.8227 -5.8227 -4.9162 -4.9162 -4.2532 -4.2532 -3.6737 -3.6737 -3.5244 -3.5244 1.2745 1.2745 1.6643 1.6643 4.4734 4.4734 4.5932 4.5932 4.6311 4.6311 4.7624 4.7624 5.3751 5.3751 5.6833 5.6833 5.8479 5.8479 6.0049 6.0049 6.1881 6.1881 6.2664 6.2664 6.2954 6.2954 6.3894 6.3894 7.0302 7.0302 7.4204 7.4204 7.6959 7.6959 7.8259 7.8259 8.7493 8.7493 10.1503 10.1503 10.3187 10.3187 10.6875 10.6875 10.7715 10.7715 k = 0.3768 0.5020-0.0000 ( 5598 PWs) bands (ev): -18.6573 -18.6573 -18.6560 -18.6560 -6.1892 -6.1892 -5.8146 -5.8146 -4.9347 -4.9347 -4.2486 -4.2486 -3.6791 -3.6791 -3.5246 -3.5246 1.2878 1.2878 1.6904 1.6904 4.4791 4.4791 4.5901 4.5901 4.6312 4.6312 4.7582 4.7582 5.4045 5.4045 5.6740 5.6740 5.8673 5.8673 6.0027 6.0027 6.1812 6.1812 6.2527 6.2527 6.2883 6.2883 6.3913 6.3913 7.0738 7.0738 7.4486 7.4486 7.6393 7.6393 7.7722 7.7722 8.6919 8.6919 10.1882 10.1882 10.3584 10.3584 10.6602 10.6602 10.7690 10.7690 k = 0.3696 0.5146-0.0000 ( 5593 PWs) bands (ev): -18.6570 -18.6570 -18.6557 -18.6557 -6.1941 -6.1941 -5.8077 -5.8077 -4.9508 -4.9508 -4.2451 -4.2451 -3.6838 -3.6838 -3.5247 -3.5247 1.2998 1.2998 1.7131 1.7131 4.4842 4.4842 4.5872 4.5872 4.6315 4.6315 4.7544 4.7544 5.4345 5.4345 5.6616 5.6616 5.8903 5.8903 6.0011 6.0011 6.1736 6.1736 6.2364 6.2364 6.2839 6.2839 6.3942 6.3942 7.1159 7.1159 7.4593 7.4593 7.6007 7.6007 7.7294 7.7294 8.6352 8.6352 10.2252 10.2252 10.3935 10.3935 10.6372 10.6372 10.7720 10.7720 k = 0.3623 0.5271-0.0000 ( 5599 PWs) bands (ev): -18.6568 -18.6568 -18.6555 -18.6555 -6.1983 -6.1983 -5.8020 -5.8020 -4.9642 -4.9642 -4.2424 -4.2424 -3.6875 -3.6875 -3.5249 -3.5249 1.3101 1.3101 1.7323 1.7323 4.4885 4.4885 4.5846 4.5846 4.6320 4.6320 4.7510 4.7510 5.4643 5.4643 5.6472 5.6472 5.9146 5.9146 5.9999 5.9999 6.1659 6.1659 6.2186 6.2186 6.2812 6.2812 6.3976 6.3976 7.1562 7.1562 7.4418 7.4418 7.5862 7.5862 7.7017 7.7017 8.5813 8.5813 10.2603 10.2603 10.4234 10.4234 10.6213 10.6213 10.7774 10.7774 k = 0.3551 0.5397-0.0000 ( 5599 PWs) bands (ev): -18.6565 -18.6565 -18.6553 -18.6553 -6.2015 -6.2015 -5.7976 -5.7976 -4.9748 -4.9748 -4.2405 -4.2405 -3.6904 -3.6904 -3.5250 -3.5250 1.3185 1.3185 1.7475 1.7475 4.4921 4.4921 4.5825 4.5825 4.6325 4.6325 4.7481 4.7481 5.4929 5.4929 5.6317 5.6317 5.9381 5.9381 5.9990 5.9990 6.1590 6.1590 6.2007 6.2007 6.2796 6.2796 6.4012 6.4012 7.1944 7.1944 7.4063 7.4063 7.5815 7.5815 7.6925 7.6925 8.5334 8.5334 10.2918 10.2918 10.4476 10.4476 10.6147 10.6147 10.7830 10.7830 k = 0.3478 0.5522-0.0000 ( 5603 PWs) bands (ev): -18.6564 -18.6564 -18.6551 -18.6551 -6.2040 -6.2040 -5.7945 -5.7945 -4.9825 -4.9825 -4.2393 -4.2393 -3.6924 -3.6924 -3.5251 -3.5251 1.3248 1.3248 1.7586 1.7586 4.4946 4.4946 4.5809 4.5809 4.6329 4.6329 4.7459 4.7459 5.5191 5.5191 5.6161 5.6161 5.9580 5.9580 5.9988 5.9988 6.1535 6.1535 6.1845 6.1845 6.2788 6.2788 6.4044 6.4044 7.2304 7.2304 7.3670 7.3670 7.5756 7.5756 7.6964 7.6964 8.4950 8.4950 10.3175 10.3175 10.4656 10.4656 10.6193 10.6193 10.7741 10.7741 k = 0.3406 0.5648-0.0000 ( 5591 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2054 -6.2054 -5.7927 -5.7927 -4.9871 -4.9871 -4.2386 -4.2386 -3.6936 -3.6936 -3.5252 -3.5252 1.3286 1.3286 1.7653 1.7653 4.4962 4.4962 4.5800 4.5800 4.6333 4.6333 4.7446 4.7446 5.5402 5.5402 5.6020 5.6020 5.9706 5.9706 6.0001 6.0001 6.1500 6.1500 6.1726 6.1726 6.2784 6.2784 6.4068 6.4068 7.2635 7.2635 7.3303 7.3303 7.5714 7.5714 7.7024 7.7024 8.4699 8.4699 10.3346 10.3346 10.4767 10.4767 10.6350 10.6350 10.7278 10.7278 k = 0.3333 0.5774-0.0000 ( 5589 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2059 -6.2059 -5.7921 -5.7921 -4.9886 -4.9886 -4.2385 -4.2385 -3.6940 -3.6940 -3.5252 -3.5252 1.3300 1.3300 1.7676 1.7676 4.4967 4.4967 4.5797 4.5797 4.6334 4.6334 4.7441 4.7441 5.5494 5.5494 5.5953 5.5953 5.9742 5.9742 6.0017 6.0017 6.1488 6.1488 6.1681 6.1681 6.2783 6.2783 6.4076 6.4076 7.2873 7.2873 7.3051 7.3051 7.5706 7.5706 7.7043 7.7043 8.4612 8.4612 10.3407 10.3407 10.4804 10.4804 10.6496 10.6496 10.7017 10.7017 k = 0.3333 0.5774-0.0000 ( 5589 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2059 -6.2059 -5.7921 -5.7921 -4.9886 -4.9886 -4.2385 -4.2385 -3.6940 -3.6940 -3.5252 -3.5252 1.3300 1.3300 1.7676 1.7676 4.4967 4.4967 4.5797 4.5797 4.6334 4.6334 4.7441 4.7441 5.5494 5.5494 5.5953 5.5953 5.9742 5.9742 6.0017 6.0017 6.1488 6.1488 6.1681 6.1681 6.2783 6.2783 6.4076 6.4076 7.2873 7.2873 7.3051 7.3051 7.5706 7.5706 7.7043 7.7043 8.4612 8.4612 10.3407 10.3407 10.4804 10.4804 10.6496 10.6496 10.7017 10.7017 k = 0.3259 0.5645-0.0000 ( 5595 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2054 -6.2054 -5.7927 -5.7927 -4.9870 -4.9870 -4.2386 -4.2386 -3.6936 -3.6936 -3.5252 -3.5252 1.3285 1.3285 1.7652 1.7652 4.4962 4.4962 4.5800 4.5800 4.6332 4.6332 4.7446 4.7446 5.5408 5.5408 5.6009 5.6009 5.9715 5.9715 5.9990 5.9990 6.1500 6.1500 6.1730 6.1730 6.2784 6.2784 6.4066 6.4066 7.2671 7.2671 7.3270 7.3270 7.5687 7.5687 7.7050 7.7050 8.4702 8.4702 10.3337 10.3337 10.4767 10.4767 10.6352 10.6352 10.7285 10.7285 k = 0.3185 0.5517-0.0000 ( 5589 PWs) bands (ev): -18.6564 -18.6564 -18.6551 -18.6551 -6.2037 -6.2037 -5.7942 -5.7942 -4.9823 -4.9823 -4.2390 -4.2390 -3.6925 -3.6925 -3.5251 -3.5251 1.3242 1.3242 1.7580 1.7580 4.4948 4.4948 4.5806 4.5806 4.6329 4.6329 4.7460 4.7460 5.5230 5.5230 5.6093 5.6093 5.9633 5.9633 5.9934 5.9934 6.1531 6.1531 6.1861 6.1861 6.2787 6.2787 6.4034 6.4034 7.2468 7.2468 7.3525 7.3525 7.5556 7.5556 7.7160 7.7160 8.4952 8.4952 10.3119 10.3119 10.4664 10.4664 10.6217 10.6217 10.7737 10.7737 k = 0.3111 0.5389-0.0000 ( 5597 PWs) bands (ev): -18.6566 -18.6566 -18.6553 -18.6553 -6.2009 -6.2009 -5.7966 -5.7966 -4.9746 -4.9746 -4.2395 -4.2395 -3.6908 -3.6908 -3.5250 -3.5250 1.3169 1.3169 1.7461 1.7461 4.4928 4.4928 4.5814 4.5814 4.6324 4.6324 4.7483 4.7483 5.5019 5.5019 5.6141 5.6141 5.9480 5.9480 5.9905 5.9905 6.1574 6.1574 6.2042 6.2042 6.2793 6.2793 6.3979 6.3979 7.2334 7.2334 7.3725 7.3725 7.5282 7.5282 7.7453 7.7453 8.5325 8.5325 10.2766 10.2766 10.4511 10.4511 10.6213 10.6213 10.7800 10.7800 k = 0.3037 0.5260-0.0000 ( 5601 PWs) bands (ev): -18.6569 -18.6569 -18.6556 -18.6556 -6.1969 -6.1969 -5.7996 -5.7996 -4.9641 -4.9641 -4.2400 -4.2400 -3.6885 -3.6885 -3.5249 -3.5249 1.3066 1.3066 1.7295 1.7295 4.4902 4.4902 4.5821 4.5821 4.6319 4.6319 4.7512 4.7512 5.4790 5.4790 5.6138 5.6138 5.9275 5.9275 5.9917 5.9917 6.1622 6.1622 6.2240 6.2240 6.2803 6.2803 6.3904 6.3904 7.2273 7.2273 7.3786 7.3786 7.4994 7.4994 7.7910 7.7910 8.5772 8.5772 10.2309 10.2309 10.4317 10.4317 10.6332 10.6332 10.7745 10.7745 k = 0.2963 0.5132-0.0000 ( 5593 PWs) bands (ev): -18.6573 -18.6573 -18.6560 -18.6560 -6.1917 -6.1917 -5.8029 -5.8029 -4.9510 -4.9510 -4.2404 -4.2404 -3.6857 -3.6857 -3.5248 -3.5248 1.2932 1.2932 1.7083 1.7083 4.4872 4.4872 4.5826 4.5826 4.6315 4.6315 4.7546 4.7546 5.4550 5.4550 5.6084 5.6084 5.9051 5.9051 5.9958 5.9958 6.1670 6.1670 6.2430 6.2430 6.2819 6.2819 6.3812 6.3812 7.2271 7.2271 7.3579 7.3579 7.4901 7.4901 7.8488 7.8488 8.6246 8.6246 10.1783 10.1783 10.4088 10.4088 10.6552 10.6552 10.7700 10.7700 k = 0.2889 0.5004-0.0000 ( 5589 PWs) bands (ev): -18.6578 -18.6578 -18.6565 -18.6565 -6.1853 -6.1853 -5.8064 -5.8064 -4.9353 -4.9353 -4.2407 -4.2407 -3.6825 -3.6825 -3.5246 -3.5246 1.2768 1.2768 1.6826 1.6826 4.4839 4.4839 4.5828 4.5828 4.6313 4.6313 4.7583 4.7583 5.4303 5.4303 5.5983 5.5983 5.8827 5.8827 6.0018 6.0018 6.1712 6.1712 6.2593 6.2593 6.2843 6.2843 6.3707 6.3707 7.2238 7.2238 7.3238 7.3238 7.5002 7.5002 7.9150 7.9150 8.6702 8.6702 10.1206 10.1206 10.3836 10.3836 10.6850 10.6850 10.7702 10.7702 k = 0.2815 0.4875-0.0000 ( 5595 PWs) bands (ev): -18.6584 -18.6584 -18.6570 -18.6570 -6.1775 -6.1775 -5.8099 -5.8099 -4.9174 -4.9174 -4.2406 -4.2406 -3.6789 -3.6789 -3.5244 -3.5244 1.2573 1.2573 1.6526 1.6526 4.4804 4.4804 4.5827 4.5827 4.6313 4.6313 4.7620 4.7620 5.4054 5.4054 5.5844 5.5844 5.8616 5.8616 6.0088 6.0088 6.1745 6.1745 6.2716 6.2716 6.2876 6.2876 6.3598 6.3598 7.1934 7.1934 7.3157 7.3157 7.5179 7.5179 7.9868 7.9868 8.7101 8.7101 10.0588 10.0588 10.3581 10.3581 10.7199 10.7199 10.7797 10.7797 k = 0.2741 0.4747-0.0000 ( 5603 PWs) bands (ev): -18.6591 -18.6591 -18.6577 -18.6577 -6.1685 -6.1685 -5.8131 -5.8131 -4.8974 -4.8974 -4.2402 -4.2402 -3.6751 -3.6751 -3.5241 -3.5241 1.2347 1.2347 1.6183 1.6183 4.4768 4.4768 4.5824 4.5824 4.6316 4.6316 4.7654 4.7654 5.3805 5.3805 5.5671 5.5671 5.8426 5.8426 6.0162 6.0162 6.1764 6.1764 6.2796 6.2796 6.2906 6.2906 6.3495 6.3495 7.1363 7.1363 7.3401 7.3401 7.5379 7.5379 8.0613 8.0613 8.7407 8.7407 9.9927 9.9927 10.3350 10.3350 10.7549 10.7549 10.8054 10.8054 k = 0.2667 0.4619-0.0000 ( 5611 PWs) bands (ev): -18.6599 -18.6599 -18.6584 -18.6584 -6.1582 -6.1582 -5.8159 -5.8159 -4.8754 -4.8754 -4.2394 -4.2394 -3.6711 -3.6711 -3.5239 -3.5239 1.2092 1.2092 1.5800 1.5800 4.4731 4.4731 4.5819 4.5819 4.6320 4.6320 4.7684 4.7684 5.3562 5.3562 5.5472 5.5472 5.8263 5.8263 6.0233 6.0233 6.1769 6.1769 6.2848 6.2848 6.2905 6.2905 6.3414 6.3414 7.0709 7.0709 7.3815 7.3815 7.5590 7.5590 8.1358 8.1358 8.7592 8.7592 9.9219 9.9219 10.3173 10.3173 10.7892 10.7892 10.8501 10.8501 k = 0.2593 0.4491-0.0000 ( 5609 PWs) bands (ev): -18.6608 -18.6608 -18.6593 -18.6593 -6.1466 -6.1466 -5.8181 -5.8181 -4.8516 -4.8516 -4.2381 -4.2381 -3.6669 -3.6669 -3.5236 -3.5236 1.1807 1.1807 1.5379 1.5379 4.4694 4.4694 4.5815 4.5815 4.6325 4.6325 4.7708 4.7708 5.3329 5.3329 5.5252 5.5252 5.8128 5.8128 6.0296 6.0296 6.1757 6.1757 6.2832 6.2832 6.2906 6.2906 6.3363 6.3363 7.0042 7.0042 7.4334 7.4334 7.5814 7.5814 8.2073 8.2073 8.7639 8.7639 9.8461 9.8461 10.3080 10.3080 10.8291 10.8291 10.9087 10.9087 k = 0.2519 0.4362-0.0000 ( 5621 PWs) bands (ev): -18.6618 -18.6618 -18.6602 -18.6602 -6.1337 -6.1337 -5.8195 -5.8195 -4.8262 -4.8262 -4.2362 -4.2362 -3.6626 -3.6626 -3.5232 -3.5232 1.1493 1.1493 1.4921 1.4921 4.4658 4.4658 4.5812 4.5812 4.6330 4.6330 4.7723 4.7723 5.3109 5.3109 5.5017 5.5017 5.8024 5.8024 6.0347 6.0347 6.1727 6.1727 6.2728 6.2728 6.2940 6.2940 6.3334 6.3334 6.9392 6.9392 7.4914 7.4914 7.6074 7.6074 8.2729 8.2729 8.7540 8.7540 9.7653 9.7653 10.3099 10.3099 10.8776 10.8776 10.9782 10.9782 k = 0.2444 0.4234-0.0000 ( 5637 PWs) bands (ev): -18.6630 -18.6630 -18.6613 -18.6613 -6.1196 -6.1196 -5.8202 -5.8202 -4.7992 -4.7992 -4.2337 -4.2337 -3.6582 -3.6582 -3.5228 -3.5228 1.1150 1.1150 1.4428 1.4428 4.4624 4.4624 4.5812 4.5812 4.6333 4.6333 4.7729 4.7729 5.2906 5.2906 5.4772 5.4772 5.7948 5.7948 6.0383 6.0383 6.1680 6.1680 6.2592 6.2592 6.2966 6.2966 6.3311 6.3311 6.8780 6.8780 7.5474 7.5474 7.6433 7.6433 8.3299 8.3299 8.7303 8.7303 9.6797 9.6797 10.3251 10.3251 10.9336 10.9336 11.0588 11.0588 k = 0.2370 0.4106-0.0000 ( 5637 PWs) bands (ev): -18.6642 -18.6642 -18.6624 -18.6624 -6.1042 -6.1042 -5.8200 -5.8200 -4.7709 -4.7709 -4.2305 -4.2305 -3.6539 -3.6539 -3.5224 -3.5224 1.0779 1.0779 1.3903 1.3903 4.4593 4.4593 4.5815 4.5815 4.6334 4.6334 4.7723 4.7723 5.2723 5.2723 5.4521 5.4521 5.7900 5.7900 6.0403 6.0403 6.1615 6.1615 6.2441 6.2441 6.2976 6.2976 6.3282 6.3282 6.8224 6.8224 7.5897 7.5897 7.7000 7.7000 8.3753 8.3753 8.6950 8.6950 9.5900 9.5900 10.3553 10.3553 10.9940 10.9940 11.1512 11.1512 k = 0.2296 0.3977-0.0000 ( 5641 PWs) bands (ev): -18.6655 -18.6655 -18.6636 -18.6636 -6.0877 -6.0877 -5.8189 -5.8189 -4.7412 -4.7412 -4.2267 -4.2267 -3.6496 -3.6496 -3.5219 -3.5219 1.0380 1.0380 1.3346 1.3346 4.4566 4.4566 4.5822 4.5822 4.6332 4.6332 4.7707 4.7707 5.2562 5.2562 5.4269 5.4269 5.7877 5.7877 6.0404 6.0404 6.1531 6.1531 6.2280 6.2280 6.2969 6.2969 6.3240 6.3240 6.7743 6.7743 7.6179 7.6179 7.7769 7.7769 8.4058 8.4058 8.6518 8.6518 9.4971 9.4971 10.4010 10.4010 11.0558 11.0558 11.2556 11.2556 k = 0.2222 0.3849-0.0000 ( 5631 PWs) bands (ev): -18.6669 -18.6669 -18.6649 -18.6649 -6.0701 -6.0701 -5.8168 -5.8168 -4.7103 -4.7103 -4.2220 -4.2220 -3.6454 -3.6454 -3.5213 -3.5213 0.9953 0.9953 1.2761 1.2761 4.4545 4.4545 4.5832 4.5832 4.6326 4.6326 4.7678 4.7678 5.2424 5.2424 5.4017 5.4017 5.7877 5.7877 6.0385 6.0385 6.1427 6.1427 6.2115 6.2115 6.2944 6.2944 6.3173 6.3173 6.7354 6.7354 7.6394 7.6394 7.8656 7.8656 8.4166 8.4166 8.6073 8.6073 9.4017 9.4017 10.4623 10.4623 11.1166 11.1166 11.3708 11.3708 k = 0.2148 0.3721-0.0000 ( 5635 PWs) bands (ev): -18.6684 -18.6684 -18.6663 -18.6663 -6.0514 -6.0514 -5.8138 -5.8138 -4.6782 -4.6782 -4.2165 -4.2165 -3.6414 -3.6414 -3.5205 -3.5205 0.9500 0.9500 1.2150 1.2150 4.4530 4.4530 4.5846 4.5846 4.6317 4.6317 4.7637 4.7637 5.2312 5.2312 5.3770 5.3770 5.7898 5.7898 6.0346 6.0346 6.1301 6.1301 6.1945 6.1945 6.2904 6.2904 6.3074 6.3074 6.7074 6.7074 7.6577 7.6577 7.9613 7.9613 8.4009 8.4009 8.5711 8.5711 9.3048 9.3048 10.5380 10.5380 11.1744 11.1744 11.4949 11.4949 k = 0.2074 0.3592-0.0000 ( 5627 PWs) bands (ev): -18.6700 -18.6700 -18.6677 -18.6677 -6.0317 -6.0317 -5.8097 -5.8097 -4.6451 -4.6451 -4.2102 -4.2102 -3.6376 -3.6376 -3.5197 -3.5197 0.9021 0.9021 1.1514 1.1514 4.4524 4.4524 4.5864 4.5864 4.6303 4.6303 4.7583 4.7583 5.2225 5.2225 5.3529 5.3529 5.7937 5.7937 6.0286 6.0286 6.1151 6.1151 6.1773 6.1773 6.2847 6.2847 6.2947 6.2947 6.6909 6.6909 7.6740 7.6740 8.0610 8.0610 8.3575 8.3575 8.5482 8.5482 9.2071 9.2071 10.6266 10.6266 11.2276 11.2276 11.6256 11.6256 k = 0.2000 0.3464-0.0000 ( 5621 PWs) bands (ev): -18.6717 -18.6717 -18.6692 -18.6692 -6.0112 -6.0112 -5.8047 -5.8047 -4.6110 -4.6110 -4.2029 -4.2029 -3.6339 -3.6339 -3.5188 -3.5188 0.8515 0.8515 1.0858 1.0858 4.4526 4.4526 4.5883 4.5883 4.6286 4.6286 4.7517 4.7517 5.2167 5.2167 5.3295 5.3295 5.7992 5.7992 6.0206 6.0206 6.0973 6.0973 6.1600 6.1600 6.2737 6.2737 6.2841 6.2841 6.6854 6.6854 7.6886 7.6886 8.1593 8.1593 8.2984 8.2984 8.5344 8.5344 9.1092 9.1092 10.7258 10.7258 11.2750 11.2750 11.7600 11.7600 k = 0.1926 0.3336-0.0000 ( 5625 PWs) bands (ev): -18.6734 -18.6734 -18.6708 -18.6708 -5.9899 -5.9899 -5.7988 -5.7988 -4.5759 -4.5759 -4.1947 -4.1947 -3.6305 -3.6305 -3.5177 -3.5177 0.7985 0.7985 1.0183 1.0183 4.4538 4.4538 4.5902 4.5902 4.6265 4.6265 4.7438 4.7438 5.2136 5.2136 5.3072 5.3072 5.8061 5.8061 6.0105 6.0105 6.0768 6.0768 6.1430 6.1430 6.2570 6.2570 6.2778 6.2778 6.6895 6.6895 7.7010 7.7010 8.2026 8.2026 8.2809 8.2809 8.5288 8.5288 9.0118 9.0118 10.8332 10.8332 11.3159 11.3159 11.8949 11.8949 k = 0.1852 0.3208-0.0000 ( 5637 PWs) bands (ev): -18.6752 -18.6752 -18.6724 -18.6724 -5.9680 -5.9680 -5.7920 -5.7920 -4.5400 -4.5400 -4.1854 -4.1854 -3.6274 -3.6274 -3.5164 -3.5164 0.7430 0.7430 0.9493 0.9493 4.4559 4.4559 4.5919 4.5919 4.6245 4.6245 4.7346 4.7346 5.2133 5.2133 5.2860 5.2860 5.8140 5.8140 5.9979 5.9979 6.0541 6.0541 6.1264 6.1264 6.2397 6.2397 6.2723 6.2723 6.7015 6.7015 7.7102 7.7102 8.1389 8.1389 8.3455 8.3455 8.5460 8.5460 8.9152 8.9152 10.9458 10.9458 11.3504 11.3504 12.0261 12.0261 k = 0.1778 0.3079-0.0000 ( 5633 PWs) bands (ev): -18.6770 -18.6770 -18.6741 -18.6741 -5.9456 -5.9456 -5.7844 -5.7844 -4.5033 -4.5033 -4.1751 -4.1751 -3.6246 -3.6246 -3.5150 -3.5150 0.6851 0.6851 0.8791 0.8791 4.4589 4.4589 4.5930 4.5930 4.6226 4.6226 4.7242 4.7242 5.2158 5.2158 5.2663 5.2663 5.8227 5.8227 5.9822 5.9822 6.0311 6.0311 6.1103 6.1103 6.2232 6.2232 6.2672 6.2672 6.7198 6.7198 7.7145 7.7145 8.0681 8.0681 8.3711 8.3711 8.6116 8.6116 8.8197 8.8197 11.0598 11.0598 11.3804 11.3804 12.0181 12.0181 k = 0.1704 0.2951-0.0000 ( 5635 PWs) bands (ev): -18.6788 -18.6788 -18.6758 -18.6758 -5.9228 -5.9228 -5.7760 -5.7760 -4.4658 -4.4658 -4.1637 -4.1637 -3.6220 -3.6220 -3.5134 -3.5134 0.6250 0.6250 0.8080 0.8080 4.4627 4.4627 4.5931 4.5931 4.6214 4.6214 4.7127 4.7127 5.2196 5.2196 5.2498 5.2498 5.8319 5.8319 5.9622 5.9622 6.0102 6.0102 6.0947 6.0947 6.2083 6.2083 6.2624 6.2624 6.7428 6.7428 7.7101 7.7101 8.0036 8.0036 8.3604 8.3604 8.7134 8.7134 8.7268 8.7268 11.1688 11.1688 11.4113 11.4113 11.9863 11.9863 k = 0.1630 0.2823-0.0000 ( 5643 PWs) bands (ev): -18.6807 -18.6807 -18.6776 -18.6776 -5.8997 -5.8997 -5.7670 -5.7670 -4.4277 -4.4277 -4.1512 -4.1512 -3.6197 -3.6197 -3.5116 -3.5116 0.5626 0.5626 0.7363 0.7363 4.4672 4.4672 4.5917 4.5917 4.6212 4.6212 4.7001 4.7001 5.2172 5.2172 5.2440 5.2440 5.8409 5.8409 5.9382 5.9382 5.9928 5.9928 6.0792 6.0792 6.1949 6.1949 6.2578 6.2578 6.7694 6.7694 7.6922 7.6922 7.9525 7.9525 8.3347 8.3347 8.6323 8.6323 8.8343 8.8343 11.2595 11.2595 11.4556 11.4556 11.9567 11.9567 k = 0.1556 0.2694-0.0000 ( 5639 PWs) bands (ev): -18.6826 -18.6826 -18.6793 -18.6793 -5.8766 -5.8766 -5.7574 -5.7574 -4.3891 -4.3891 -4.1376 -4.1376 -3.6178 -3.6178 -3.5097 -3.5097 0.4981 0.4981 0.6645 0.6645 4.4723 4.4723 4.5887 4.5887 4.6222 4.6222 4.6867 4.6867 5.2044 5.2044 5.2535 5.2535 5.8485 5.8485 5.9131 5.9131 5.9785 5.9785 6.0639 6.0639 6.1831 6.1831 6.2535 6.2535 6.7984 6.7984 7.6569 7.6569 7.9196 7.9196 8.3026 8.3026 8.5407 8.5407 8.9611 8.9611 11.3157 11.3157 11.5292 11.5292 11.9300 11.9300 k = 0.1481 0.2566-0.0000 ( 5637 PWs) bands (ev): -18.6845 -18.6845 -18.6811 -18.6811 -5.8536 -5.8536 -5.7473 -5.7473 -4.3500 -4.3500 -4.1228 -4.1228 -3.6160 -3.6160 -3.5076 -3.5076 0.4318 0.4318 0.5929 0.5929 4.4777 4.4777 4.5843 4.5843 4.6238 4.6238 4.6728 4.6728 5.1895 5.1895 5.2701 5.2701 5.8504 5.8504 5.8925 5.8925 5.9664 5.9664 6.0487 6.0487 6.1727 6.1727 6.2496 6.2496 6.8288 6.8288 7.6072 7.6072 7.9032 7.9032 8.2677 8.2677 8.4506 8.4506 9.0926 9.0926 11.3425 11.3425 11.6263 11.6263 11.9067 11.9067 k = 0.1407 0.2438-0.0000 ( 5623 PWs) bands (ev): -18.6864 -18.6864 -18.6829 -18.6829 -5.8308 -5.8308 -5.7367 -5.7367 -4.3106 -4.3106 -4.1068 -4.1068 -3.6146 -3.6146 -3.5052 -3.5052 0.3638 0.3638 0.5218 0.5218 4.4832 4.4832 4.5790 4.5790 4.6252 4.6252 4.6591 4.6591 5.1749 5.1749 5.2915 5.2915 5.8374 5.8374 5.8862 5.8862 5.9564 5.9564 6.0336 6.0336 6.1636 6.1636 6.2459 6.2459 6.8592 6.8592 7.5504 7.5504 7.8968 7.8968 8.2316 8.2316 8.3620 8.3620 9.2276 9.2276 11.3557 11.3557 11.7289 11.7289 11.8888 11.8888 k = 0.1333 0.2309-0.0000 ( 5609 PWs) bands (ev): -18.6883 -18.6883 -18.6846 -18.6846 -5.8084 -5.8084 -5.7258 -5.7258 -4.2710 -4.2710 -4.0898 -4.0898 -3.6133 -3.6133 -3.5028 -3.5028 0.2945 0.2945 0.4514 0.4514 4.4885 4.4885 4.5729 4.5729 4.6244 4.6244 4.6477 4.6477 5.1611 5.1611 5.3172 5.3172 5.8145 5.8145 5.8891 5.8891 5.9490 5.9490 6.0186 6.0186 6.1557 6.1557 6.2425 6.2425 6.8878 6.8878 7.4934 7.4934 7.8946 7.8946 8.1954 8.1954 8.2756 8.2756 9.3650 9.3650 11.3639 11.3639 11.8150 11.8150 11.8887 11.8887 k = 0.1259 0.2181-0.0000 ( 5609 PWs) bands (ev): -18.6902 -18.6902 -18.6863 -18.6863 -5.7867 -5.7867 -5.7147 -5.7147 -4.2313 -4.2313 -4.0717 -4.0717 -3.6122 -3.6122 -3.5001 -3.5001 0.2243 0.2243 0.3820 0.3820 4.4935 4.4935 4.5663 4.5663 4.6173 4.6173 4.6428 4.6428 5.1483 5.1483 5.3472 5.3472 5.7897 5.7897 5.8922 5.8922 5.9451 5.9451 6.0039 6.0039 6.1491 6.1491 6.2394 6.2394 6.9122 6.9122 7.4414 7.4414 7.8923 7.8923 8.1585 8.1585 8.1940 8.1940 9.5045 9.5045 11.3708 11.3708 11.8350 11.8350 11.9512 11.9512 k = 0.1185 0.2053-0.0000 ( 5611 PWs) bands (ev): -18.6920 -18.6920 -18.6880 -18.6880 -5.7657 -5.7657 -5.7033 -5.7033 -4.1918 -4.1918 -4.0526 -4.0526 -3.6113 -3.6113 -3.4974 -3.4974 0.1537 0.1537 0.3139 0.3139 4.4976 4.4976 4.5591 4.5591 4.6054 4.6054 4.6435 4.6435 5.1364 5.1364 5.3816 5.3816 5.7655 5.7655 5.8925 5.8925 5.9454 5.9454 5.9897 5.9897 6.1436 6.1436 6.2367 6.2367 6.9291 6.9291 7.3992 7.3992 7.8852 7.8852 8.1051 8.1051 8.1364 8.1364 9.6454 9.6454 11.3780 11.3780 11.8289 11.8289 12.0324 12.0324 k = 0.1111 0.1925-0.0000 ( 5609 PWs) bands (ev): -18.6938 -18.6938 -18.6897 -18.6897 -5.7456 -5.7456 -5.6919 -5.6919 -4.1527 -4.1527 -4.0327 -4.0327 -3.6105 -3.6105 -3.4945 -3.4945 0.0832 0.0832 0.2473 0.2473 4.5005 4.5005 4.5514 4.5514 4.5927 4.5927 4.6460 4.6460 5.1254 5.1254 5.4201 5.4201 5.7425 5.7425 5.8900 5.8900 5.9484 5.9484 5.9769 5.9769 6.1393 6.1393 6.2342 6.2342 6.9346 6.9346 7.3711 7.3711 7.8657 7.8657 8.0411 8.0411 8.1041 8.1041 9.7872 9.7872 11.3863 11.3863 11.8226 11.8226 12.1033 12.1033 k = 0.1037 0.1796-0.0000 ( 5619 PWs) bands (ev): -18.6955 -18.6955 -18.6913 -18.6913 -5.7267 -5.7267 -5.6804 -5.6804 -4.1142 -4.1142 -4.0120 -4.0120 -3.6098 -3.6098 -3.4914 -3.4914 0.0133 0.0133 0.1824 0.1824 4.5017 4.5017 4.5434 4.5434 4.5812 4.5812 4.6490 4.6490 5.1154 5.1154 5.4626 5.4626 5.7211 5.7211 5.8858 5.8858 5.9494 5.9494 5.9689 5.9689 6.1360 6.1360 6.2321 6.2321 6.9264 6.9264 7.3594 7.3594 7.8235 7.8235 7.9958 7.9958 8.0782 8.0782 9.9294 9.9294 11.3959 11.3959 11.8190 11.8190 12.1249 12.1249 k = 0.0963 0.1668-0.0000 ( 5619 PWs) bands (ev): -18.6972 -18.6972 -18.6928 -18.6928 -5.7091 -5.7091 -5.6689 -5.6689 -4.0765 -4.0765 -3.9907 -3.9907 -3.6091 -3.6091 -3.4883 -3.4883 -0.0554 -0.0554 0.1195 0.1195 4.5003 4.5003 4.5354 4.5354 4.5718 4.5718 4.6522 4.6522 5.1062 5.1062 5.5089 5.5089 5.7016 5.7016 5.8811 5.8811 5.9421 5.9421 5.9709 5.9709 6.1338 6.1338 6.2303 6.2303 6.9051 6.9051 7.3633 7.3633 7.7586 7.7586 7.9711 7.9711 8.0574 8.0574 10.0712 10.0712 11.4062 11.4062 11.8189 11.8189 12.0426 12.0426 k = 0.0889 0.1540-0.0000 ( 5635 PWs) bands (ev): -18.6988 -18.6988 -18.6943 -18.6943 -5.6929 -5.6929 -5.6574 -5.6574 -4.0400 -4.0400 -3.9691 -3.9691 -3.6084 -3.6084 -3.4850 -3.4850 -0.1223 -0.1223 0.0588 0.0588 4.4958 4.4958 4.5282 4.5282 4.5648 4.5648 4.6554 4.6554 5.0980 5.0980 5.5577 5.5577 5.6850 5.6850 5.8764 5.8764 5.9312 5.9312 5.9773 5.9773 6.1326 6.1326 6.2288 6.2288 6.8741 6.8741 7.3781 7.3781 7.6818 7.6818 7.9567 7.9567 8.0417 8.0417 10.2118 10.2118 11.4158 11.4158 11.8225 11.8225 11.9564 11.9564 k = 0.0815 0.1411-0.0000 ( 5639 PWs) bands (ev): -18.7003 -18.7003 -18.6957 -18.6957 -5.6782 -5.6782 -5.6460 -5.6460 -4.0050 -4.0050 -3.9473 -3.9473 -3.6077 -3.6077 -3.4816 -3.4816 -0.1868 -0.1868 0.0008 0.0008 4.4881 4.4881 4.5221 4.5221 4.5601 4.5601 4.6585 4.6585 5.0905 5.0905 5.6044 5.6044 5.6758 5.6758 5.8721 5.8721 5.9202 5.9202 5.9845 5.9845 6.1323 6.1323 6.2277 6.2277 6.8374 6.8374 7.3971 7.3971 7.6025 7.6025 7.9464 7.9464 8.0308 8.0308 10.3503 10.3503 11.4218 11.4218 11.8304 11.8304 11.8757 11.8757 k = 0.0741 0.1283-0.0000 ( 5647 PWs) bands (ev): -18.7017 -18.7017 -18.6970 -18.6970 -5.6651 -5.6651 -5.6349 -5.6349 -3.9719 -3.9719 -3.9257 -3.9257 -3.6068 -3.6068 -3.4781 -3.4781 -0.2484 -0.2484 -0.0542 -0.0542 4.4784 4.4784 4.5167 4.5167 4.5573 4.5573 4.6614 4.6614 5.0839 5.0839 5.6266 5.6266 5.6960 5.6960 5.8683 5.8683 5.9101 5.9101 5.9915 5.9915 6.1327 6.1327 6.2268 6.2268 6.7982 6.7982 7.4070 7.4070 7.5333 7.5333 7.9385 7.9385 8.0237 8.0237 10.4854 10.4854 11.4195 11.4195 11.8079 11.8079 11.8429 11.8429 k = 0.0667 0.1155-0.0000 ( 5643 PWs) bands (ev): -18.7029 -18.7029 -18.6982 -18.6982 -5.6535 -5.6535 -5.6242 -5.6242 -3.9412 -3.9412 -3.9044 -3.9044 -3.6059 -3.6059 -3.4746 -3.4746 -0.3064 -0.3064 -0.1057 -0.1057 4.4679 4.4679 4.5116 4.5116 4.5557 4.5557 4.6641 4.6641 5.0780 5.0780 5.6213 5.6213 5.7481 5.7481 5.8649 5.8649 5.9017 5.9017 5.9981 5.9981 6.1339 6.1339 6.2263 6.2263 6.7586 6.7586 7.3740 7.3740 7.5064 7.5064 7.9333 7.9333 8.0192 8.0192 10.6152 10.6152 11.4030 11.4030 11.7611 11.7611 11.8602 11.8602 k = 0.0593 0.1026-0.0000 ( 5627 PWs) bands (ev): -18.7041 -18.7041 -18.6993 -18.6993 -5.6434 -5.6434 -5.6141 -5.6141 -3.9131 -3.9131 -3.8837 -3.8837 -3.6049 -3.6049 -3.4710 -3.4710 -0.3603 -0.3603 -0.1535 -0.1535 4.4576 4.4576 4.5068 4.5068 4.5549 4.5549 4.6666 4.6666 5.0728 5.0728 5.6108 5.6108 5.8070 5.8070 5.8621 5.8621 5.8971 5.8971 6.0040 6.0040 6.1355 6.1355 6.2261 6.2261 6.7200 6.7200 7.3010 7.3010 7.5178 7.5178 7.9316 7.9316 8.0161 8.0161 10.7375 10.7375 11.3703 11.3703 11.7392 11.7392 11.8829 11.8829 k = 0.0519 0.0898-0.0000 ( 5631 PWs) bands (ev): -18.7052 -18.7052 -18.7003 -18.7003 -5.6346 -5.6346 -5.6049 -5.6049 -3.8883 -3.8883 -3.8638 -3.8638 -3.6037 -3.6037 -3.4675 -3.4675 -0.4095 -0.4095 -0.1969 -0.1969 4.4478 4.4478 4.5023 4.5023 4.5544 4.5544 4.6689 4.6689 5.0683 5.0683 5.6002 5.6002 5.8534 5.8534 5.8596 5.8596 5.9106 5.9106 6.0093 6.0093 6.1375 6.1375 6.2262 6.2262 6.6830 6.6830 7.2179 7.2179 7.5369 7.5369 7.9337 7.9337 8.0138 8.0138 10.8484 10.8484 11.3278 11.3278 11.7389 11.7389 11.9111 11.9111 k = 0.0444 0.0770-0.0000 ( 5631 PWs) bands (ev): -18.7061 -18.7061 -18.7011 -18.7011 -5.6270 -5.6270 -5.5966 -5.5966 -3.8669 -3.8669 -3.8451 -3.8451 -3.6024 -3.6024 -3.4640 -3.4640 -0.4535 -0.4535 -0.2357 -0.2357 4.4390 4.4390 4.4982 4.4982 4.5542 4.5542 4.6709 4.6709 5.0645 5.0645 5.5906 5.5906 5.8572 5.8572 5.8635 5.8635 5.9647 5.9647 6.0142 6.0142 6.1397 6.1397 6.2265 6.2265 6.6478 6.6478 7.1337 7.1337 7.5549 7.5549 7.9395 7.9395 8.0119 8.0119 10.9415 10.9415 11.2878 11.2878 11.7530 11.7530 11.9446 11.9446 k = 0.0370 0.0642-0.0000 ( 5633 PWs) bands (ev): -18.7069 -18.7069 -18.7019 -18.7019 -5.6206 -5.6206 -5.5895 -5.5895 -3.8491 -3.8491 -3.8281 -3.8281 -3.6010 -3.6010 -3.4608 -3.4608 -0.4917 -0.4917 -0.2693 -0.2693 4.4312 4.4312 4.4945 4.4945 4.5541 4.5541 4.6725 4.6725 5.0613 5.0613 5.5823 5.5823 5.8548 5.8548 5.8620 5.8620 6.0153 6.0153 6.0368 6.0368 6.1419 6.1419 6.2269 6.2269 6.6139 6.6139 7.0518 7.0518 7.5696 7.5696 7.9482 7.9482 8.0102 8.0102 11.0050 11.0050 11.2663 11.2663 11.7757 11.7757 11.9826 11.9826 k = 0.0296 0.0513-0.0000 ( 5629 PWs) bands (ev): -18.7075 -18.7075 -18.7025 -18.7025 -5.6154 -5.6154 -5.5836 -5.5836 -3.8347 -3.8347 -3.8135 -3.8135 -3.5997 -3.5997 -3.4578 -3.4578 -0.5237 -0.5237 -0.2974 -0.2974 4.4248 4.4248 4.4915 4.4915 4.5540 4.5540 4.6739 4.6739 5.0587 5.0587 5.5754 5.5754 5.8523 5.8523 5.8598 5.8598 6.0198 6.0198 6.1082 6.1082 6.1445 6.1445 6.2275 6.2275 6.5803 6.5803 6.9751 6.9751 7.5807 7.5807 7.9587 7.9587 8.0084 8.0084 11.0279 11.0279 11.2763 11.2763 11.8029 11.8029 12.0232 12.0232 k = 0.0222 0.0385-0.0000 ( 5625 PWs) bands (ev): -18.7081 -18.7081 -18.7030 -18.7030 -5.6114 -5.6114 -5.5790 -5.5790 -3.8235 -3.8235 -3.8017 -3.8017 -3.5984 -3.5984 -3.4554 -3.4554 -0.5491 -0.5491 -0.3197 -0.3197 4.4196 4.4196 4.4890 4.4890 4.5539 4.5539 4.6750 4.6750 5.0567 5.0567 5.5700 5.5700 5.8498 5.8498 5.8583 5.8583 6.0223 6.0223 6.1444 6.1444 6.1843 6.1843 6.2282 6.2282 6.5448 6.5448 6.9072 6.9072 7.5886 7.5886 7.9697 7.9697 8.0062 8.0062 11.0211 11.0211 11.3076 11.3076 11.8315 11.8315 12.0637 12.0637 k = 0.0148 0.0257-0.0000 ( 5621 PWs) bands (ev): -18.7084 -18.7084 -18.7033 -18.7033 -5.6085 -5.6085 -5.5757 -5.5757 -3.8155 -3.8155 -3.7931 -3.7931 -3.5974 -3.5974 -3.4535 -3.4535 -0.5675 -0.5675 -0.3358 -0.3358 4.4159 4.4159 4.4873 4.4873 4.5538 4.5538 4.6758 4.6758 5.0553 5.0553 5.5661 5.5661 5.8477 5.8477 5.8573 5.8573 6.0240 6.0240 6.1462 6.1462 6.2278 6.2278 6.2588 6.2588 6.5041 6.5041 6.8530 6.8530 7.5936 7.5936 7.9799 7.9799 8.0036 8.0036 11.0058 11.0058 11.3396 11.3396 11.8575 11.8575 12.0997 12.0997 k = 0.0074 0.0128-0.0000 ( 5633 PWs) bands (ev): -18.7087 -18.7087 -18.7035 -18.7035 -5.6068 -5.6068 -5.5737 -5.5737 -3.8107 -3.8107 -3.7879 -3.7879 -3.5967 -3.5967 -3.4523 -3.4523 -0.5786 -0.5786 -0.3456 -0.3456 4.4137 4.4137 4.4862 4.4862 4.5538 4.5538 4.6763 4.6763 5.0544 5.0544 5.5638 5.5638 5.8464 5.8464 5.8569 5.8569 6.0250 6.0250 6.1471 6.1471 6.2285 6.2285 6.3300 6.3300 6.4551 6.4551 6.8180 6.8180 7.5965 7.5965 7.9884 7.9884 8.0001 8.0001 10.9936 10.9936 11.3612 11.3612 11.8763 11.8763 12.1256 12.1256 k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -18.7087 -18.7087 -18.7036 -18.7036 -5.6062 -5.6062 -5.5731 -5.5731 -3.8091 -3.8091 -3.7862 -3.7862 -3.5965 -3.5965 -3.4519 -3.4519 -0.5823 -0.5823 -0.3489 -0.3489 4.4129 4.4129 4.4858 4.4858 4.5538 4.5538 4.6764 4.6764 5.0542 5.0542 5.5630 5.5630 5.8459 5.8459 5.8567 5.8567 6.0253 6.0253 6.1474 6.1474 6.2286 6.2286 6.3934 6.3934 6.3995 6.3995 6.8059 6.8059 7.5974 7.5974 7.9947 7.9947 7.9956 7.9956 10.9892 10.9892 11.3688 11.3688 11.8831 11.8831 12.1353 12.1353 k = 0.0000 0.0000 0.0000 ( 5653 PWs) bands (ev): -18.7087 -18.7087 -18.7036 -18.7036 -5.6062 -5.6062 -5.5731 -5.5731 -3.8091 -3.8091 -3.7862 -3.7862 -3.5965 -3.5965 -3.4519 -3.4519 -0.5823 -0.5823 -0.3489 -0.3489 4.4129 4.4129 4.4858 4.4858 4.5538 4.5538 4.6764 4.6764 5.0542 5.0542 5.5630 5.5630 5.8459 5.8459 5.8567 5.8567 6.0253 6.0253 6.1474 6.1474 6.2286 6.2286 6.3934 6.3934 6.3995 6.3995 6.8059 6.8059 7.5974 7.5974 7.9947 7.9947 7.9956 7.9956 10.9892 10.9892 11.3688 11.3688 11.8831 11.8831 12.1352 12.1353 k = 0.0000 0.0000 0.0150 ( 5653 PWs) bands (ev): -18.7087 -18.7087 -18.7036 -18.7036 -5.6061 -5.6061 -5.5731 -5.5731 -3.8091 -3.8091 -3.7863 -3.7863 -3.5962 -3.5962 -3.4522 -3.4522 -0.5818 -0.5818 -0.3493 -0.3493 4.4133 4.4133 4.4862 4.4862 4.5536 4.5536 4.6760 4.6760 5.0552 5.0552 5.5637 5.5637 5.8437 5.8437 5.8567 5.8567 6.0230 6.0230 6.1442 6.1442 6.2281 6.2281 6.3886 6.3886 6.4056 6.4056 6.8101 6.8101 7.5952 7.5952 7.9924 7.9924 8.0038 8.0038 10.9702 10.9702 11.3850 11.3850 11.8879 11.8879 12.1371 12.1371 k = 0.0000 0.0000 0.0300 ( 5635 PWs) bands (ev): -18.7087 -18.7087 -18.7036 -18.7036 -5.6059 -5.6059 -5.5733 -5.5733 -3.8090 -3.8090 -3.7864 -3.7864 -3.5954 -3.5954 -3.4532 -3.4532 -0.5801 -0.5801 -0.3506 -0.3506 4.4144 4.4144 4.4874 4.4874 4.5530 4.5530 4.6748 4.6748 5.0582 5.0582 5.5658 5.5658 5.8368 5.8368 5.8565 5.8565 6.0167 6.0167 6.1350 6.1350 6.2266 6.2266 6.3758 6.3758 6.4218 6.4218 6.8227 6.8227 7.5889 7.5889 7.9856 7.9856 8.0281 8.0281 10.9207 10.9207 11.4263 11.4263 11.9024 11.9024 12.1427 12.1432 k = 0.0000 0.0000 0.0450 ( 5623 PWs) bands (ev): -18.7086 -18.7086 -18.7037 -18.7037 -5.6056 -5.6056 -5.5737 -5.5737 -3.8087 -3.8087 -3.7867 -3.7867 -3.5940 -3.5940 -3.4549 -3.4549 -0.5774 -0.5774 -0.3528 -0.3528 4.4162 4.4162 4.4894 4.4894 4.5519 4.5519 4.6728 4.6728 5.0634 5.0634 5.5692 5.5692 5.8248 5.8248 5.8563 5.8563 6.0084 6.0084 6.1203 6.1203 6.2241 6.2241 6.3560 6.3560 6.4467 6.4467 6.8428 6.8428 7.5783 7.5783 7.9745 7.9745 8.0675 8.0675 10.8528 10.8528 11.4803 11.4803 11.9264 11.9264 12.1519 12.1519 k = 0.0000 0.0000 0.0601 ( 5617 PWs) bands (ev): -18.7086 -18.7086 -18.7038 -18.7038 -5.6051 -5.6051 -5.5742 -5.5742 -3.8084 -3.8084 -3.7870 -3.7870 -3.5920 -3.5920 -3.4572 -3.4572 -0.5736 -0.5736 -0.3559 -0.3559 4.4186 4.4186 4.4921 4.4921 4.5504 4.5504 4.6699 4.6699 5.0705 5.0705 5.5740 5.5740 5.8076 5.8076 5.8561 5.8561 6.0001 6.0001 6.1012 6.1012 6.2207 6.2207 6.3306 6.3306 6.4784 6.4784 6.8695 6.8695 7.5637 7.5637 7.9590 7.9590 8.1206 8.1206 10.7743 10.7743 11.5390 11.5390 11.9600 11.9600 12.1644 12.1644 k = 0.0000 0.0000 0.0751 ( 5628 PWs) bands (ev): -18.7085 -18.7085 -18.7039 -18.7039 -5.6044 -5.6044 -5.5748 -5.5748 -3.8079 -3.8079 -3.7874 -3.7874 -3.5895 -3.5895 -3.4602 -3.4602 -0.5688 -0.5688 -0.3598 -0.3598 4.4217 4.4217 4.4955 4.4955 4.5485 4.5485 4.6663 4.6663 5.0798 5.0798 5.5802 5.5802 5.7852 5.7852 5.8560 5.8560 5.9930 5.9930 6.0786 6.0786 6.2163 6.2163 6.3012 6.3012 6.5153 6.5153 6.9017 6.9017 7.5451 7.5451 7.9393 7.9393 8.1857 8.1857 10.6889 10.6889 11.5984 11.5984 12.0027 12.0027 12.1799 12.1799 k = 0.0000 0.0000 0.0901 ( 5622 PWs) bands (ev): -18.7083 -18.7083 -18.7040 -18.7040 -5.6037 -5.6037 -5.5755 -5.5755 -3.8074 -3.8074 -3.7879 -3.7879 -3.5865 -3.5865 -3.4637 -3.4637 -0.5630 -0.5630 -0.3646 -0.3646 4.4255 4.4255 4.4997 4.4997 4.5462 4.5462 4.6620 4.6620 5.0912 5.0912 5.5877 5.5877 5.7583 5.7583 5.8559 5.8559 5.9874 5.9874 6.0536 6.0536 6.2111 6.2111 6.2698 6.2698 6.5561 6.5561 6.9385 6.9385 7.5228 7.5228 7.9157 7.9157 8.2610 8.2610 10.5987 10.5987 11.6568 11.6568 12.0535 12.0535 12.1979 12.1980 k = 0.0000 0.0000 0.1051 ( 5622 PWs) bands (ev): -18.7082 -18.7082 -18.7041 -18.7041 -5.6028 -5.6028 -5.5764 -5.5764 -3.8068 -3.8068 -3.7885 -3.7885 -3.5830 -3.5830 -3.4677 -3.4677 -0.5564 -0.5564 -0.3701 -0.3701 4.4298 4.4298 4.5046 4.5046 4.5434 4.5434 4.6569 4.6569 5.1047 5.1047 5.5966 5.5966 5.7277 5.7277 5.8561 5.8561 5.9831 5.9831 6.0268 6.0268 6.2052 6.2052 6.2381 6.2381 6.5998 6.5998 6.9789 6.9789 7.4969 7.4969 7.8884 7.8884 8.3451 8.3451 10.5046 10.5046 11.7136 11.7136 12.1110 12.1110 12.2180 12.2180 k = 0.0000 0.0000 0.1201 ( 5640 PWs) bands (ev): -18.7081 -18.7081 -18.7043 -18.7043 -5.6018 -5.6018 -5.5774 -5.5774 -3.8062 -3.8062 -3.7892 -3.7892 -3.5791 -3.5791 -3.4723 -3.4723 -0.5489 -0.5489 -0.3764 -0.3764 4.4347 4.4347 4.5101 4.5101 4.5401 4.5401 4.6512 4.6512 5.1204 5.1204 5.6069 5.6069 5.6941 5.6941 5.8567 5.8567 5.9794 5.9794 5.9990 5.9990 6.1985 6.1985 6.2077 6.2077 6.6458 6.6458 7.0223 7.0223 7.4676 7.4676 7.8575 7.8575 8.4365 8.4365 10.4071 10.4071 11.7690 11.7690 12.1731 12.1731 12.2395 12.2538 k = 0.0000 0.0000 0.1351 ( 5640 PWs) bands (ev): -18.7079 -18.7079 -18.7044 -18.7044 -5.6008 -5.6008 -5.5784 -5.5784 -3.8054 -3.8054 -3.7900 -3.7900 -3.5746 -3.5746 -3.4774 -3.4774 -0.5407 -0.5407 -0.3834 -0.3834 4.4400 4.4400 4.5162 4.5162 4.5364 4.5364 4.6449 4.6449 5.1382 5.1382 5.6186 5.6186 5.6584 5.6584 5.8577 5.8577 5.9707 5.9707 5.9755 5.9755 6.1803 6.1803 6.1912 6.1912 6.6934 6.6934 7.0681 7.0681 7.4352 7.4352 7.8235 7.8235 8.5340 8.5340 10.3067 10.3067 11.8233 11.8233 12.2375 12.2375 12.2620 12.2621 k = 0.0000 0.0000 0.1501 ( 5640 PWs) bands (ev): -18.7077 -18.7077 -18.7046 -18.7046 -5.5996 -5.5996 -5.5796 -5.5796 -3.8046 -3.8046 -3.7908 -3.7908 -3.5698 -3.5698 -3.4828 -3.4828 -0.5318 -0.5318 -0.3911 -0.3911 4.4458 4.4458 4.5229 4.5229 4.5322 4.5322 4.6380 4.6380 5.1582 5.1582 5.6211 5.6211 5.6316 5.6316 5.8593 5.8593 5.9422 5.9422 5.9705 5.9705 6.1570 6.1570 6.1835 6.1835 6.7422 6.7422 7.1156 7.1156 7.3999 7.3999 7.7865 7.7865 8.6364 8.6364 10.2035 10.2035 11.8768 11.8768 12.2849 12.2919 12.2924 12.3008 k = 0.0000 0.0000 0.1651 ( 5652 PWs) bands (ev): -18.7075 -18.7075 -18.7048 -18.7048 -5.5983 -5.5983 -5.5809 -5.5809 -3.8037 -3.8037 -3.7917 -3.7917 -3.5646 -3.5646 -3.4886 -3.4886 -0.5224 -0.5224 -0.3995 -0.3995 4.4519 4.4519 4.5276 4.5276 4.5300 4.5300 4.6307 4.6307 5.1804 5.1804 5.5829 5.5829 5.6459 5.6459 5.8616 5.8616 5.9140 5.9140 5.9636 5.9636 6.1390 6.1390 6.1753 6.1753 6.7919 6.7919 7.1646 7.1646 7.3620 7.3620 7.7468 7.7468 8.7428 8.7428 10.0978 10.0978 11.9297 11.9297 12.3075 12.3075 12.3116 12.3116 k = 0.0000 0.0000 0.1802 ( 5634 PWs) bands (ev): -18.7073 -18.7073 -18.7050 -18.7050 -5.5970 -5.5970 -5.5822 -5.5822 -3.8028 -3.8028 -3.7926 -3.7926 -3.5590 -3.5590 -3.4947 -3.4947 -0.5124 -0.5124 -0.4084 -0.4084 4.4583 4.4583 4.5226 4.5226 4.5377 4.5377 4.6229 4.6229 5.2047 5.2047 5.5442 5.5442 5.6617 5.6617 5.8649 5.8649 5.8862 5.8862 5.9547 5.9547 6.1267 6.1267 6.1669 6.1669 6.8422 6.8422 7.2145 7.2145 7.3217 7.3217 7.7048 7.7048 8.8525 8.8525 9.9897 9.9897 11.9818 11.9818 12.3268 12.3268 12.3292 12.3292 k = 0.0000 0.0000 0.1952 ( 5634 PWs) bands (ev): -18.7071 -18.7071 -18.7052 -18.7052 -5.5956 -5.5956 -5.5836 -5.5836 -3.8019 -3.8019 -3.7936 -3.7936 -3.5531 -3.5531 -3.5010 -3.5010 -0.5021 -0.5021 -0.4178 -0.4178 4.4649 4.4649 4.5171 4.5171 4.5456 4.5456 4.6147 4.6147 5.2312 5.2312 5.5053 5.5053 5.6787 5.6787 5.8591 5.8591 5.8691 5.8691 5.9440 5.9440 6.1197 6.1197 6.1584 6.1584 6.8928 6.8928 7.2652 7.2652 7.2792 7.2792 7.6606 7.6606 8.9645 8.9645 9.8797 9.8797 12.0330 12.0330 12.3304 12.3304 12.3496 12.3496 k = 0.0000 0.0000 0.2102 ( 5634 PWs) bands (ev): -18.7069 -18.7069 -18.7055 -18.7055 -5.5941 -5.5941 -5.5850 -5.5850 -3.8009 -3.8009 -3.7946 -3.7946 -3.5470 -3.5470 -3.5075 -3.5075 -0.4916 -0.4916 -0.4277 -0.4277 4.4717 4.4717 4.5113 4.5113 4.5540 4.5540 4.6063 4.6063 5.2597 5.2597 5.4668 5.4668 5.6971 5.6971 5.8327 5.8327 5.8745 5.8745 5.9323 5.9323 6.1173 6.1173 6.1500 6.1500 6.9435 6.9435 7.2349 7.2349 7.3162 7.3162 7.6147 7.6147 9.0783 9.0783 9.7678 9.7678 12.0829 12.0829 12.3170 12.3170 12.3683 12.3683 k = 0.0000 0.0000 0.2252 ( 5634 PWs) bands (ev): -18.7066 -18.7066 -18.7057 -18.7057 -5.5926 -5.5926 -5.5865 -5.5865 -3.7998 -3.7998 -3.7956 -3.7956 -3.5406 -3.5406 -3.5141 -3.5141 -0.4808 -0.4808 -0.4379 -0.4379 4.4786 4.4786 4.5052 4.5052 4.5625 4.5625 4.5976 4.5976 5.2902 5.2902 5.4290 5.4290 5.7167 5.7167 5.8073 5.8073 5.8811 5.8811 5.9203 5.9203 6.1184 6.1184 6.1419 6.1419 6.9939 6.9939 7.1890 7.1890 7.3673 7.3673 7.5672 7.5672 9.1933 9.1933 9.6544 9.6544 12.1309 12.1309 12.2910 12.2910 12.3849 12.3849 k = 0.0000 0.0000 0.2402 ( 5628 PWs) bands (ev): -18.7064 -18.7064 -18.7059 -18.7059 -5.5911 -5.5911 -5.5881 -5.5881 -3.7988 -3.7988 -3.7967 -3.7967 -3.5341 -3.5341 -3.5208 -3.5208 -0.4700 -0.4700 -0.4484 -0.4484 4.4854 4.4854 4.4988 4.4988 4.5712 4.5712 4.5889 4.5889 5.3225 5.3225 5.3921 5.3921 5.7376 5.7376 5.7830 5.7830 5.8891 5.8891 5.9088 5.9088 6.1220 6.1220 6.1343 6.1343 7.0439 7.0439 7.1417 7.1417 7.4182 7.4182 7.5184 7.5184 9.3088 9.3088 9.5398 9.5398 12.1765 12.1765 12.2575 12.2575 12.3992 12.3992 k = 0.0000 0.0000 0.2552 ( 5628 PWs) bands (ev): -18.7062 -18.7062 -18.7062 -18.7062 -5.5896 -5.5896 -5.5896 -5.5896 -3.7977 -3.7977 -3.7977 -3.7977 -3.5275 -3.5275 -3.5275 -3.5275 -0.4591 -0.4591 -0.4591 -0.4591 4.4922 4.4922 4.4922 4.4922 4.5800 4.5800 4.5800 4.5800 5.3566 5.3566 5.3566 5.3566 5.7597 5.7597 5.7597 5.7597 5.8983 5.8983 5.8983 5.8983 6.1275 6.1275 6.1275 6.1275 7.0932 7.0932 7.0932 7.0932 7.4687 7.4687 7.4687 7.4687 9.4245 9.4245 9.4245 9.4245 12.2189 12.2189 12.2189 12.2189 12.4111 12.4111 k = 0.0000 0.0000 0.2552 ( 5628 PWs) bands (ev): -18.7062 -18.7062 -18.7062 -18.7062 -5.5896 -5.5896 -5.5896 -5.5896 -3.7977 -3.7977 -3.7977 -3.7977 -3.5275 -3.5275 -3.5275 -3.5275 -0.4591 -0.4591 -0.4591 -0.4591 4.4922 4.4922 4.4922 4.4922 4.5800 4.5800 4.5800 4.5800 5.3566 5.3566 5.3566 5.3566 5.7597 5.7597 5.7597 5.7597 5.8983 5.8983 5.8983 5.8983 6.1275 6.1275 6.1275 6.1275 7.0932 7.0932 7.0932 7.0932 7.4687 7.4687 7.4687 7.4687 9.4245 9.4245 9.4245 9.4245 12.2189 12.2189 12.2189 12.2189 12.4111 12.4111 k = 0.0128 0.0074 0.2552 ( 5634 PWs) bands (ev): -18.7061 -18.7061 -18.7061 -18.7061 -5.5902 -5.5902 -5.5902 -5.5902 -3.7994 -3.7994 -3.7994 -3.7994 -3.5277 -3.5277 -3.5277 -3.5277 -0.4557 -0.4557 -0.4557 -0.4557 4.4923 4.4923 4.4923 4.4923 4.5801 4.5801 4.5801 4.5801 5.3560 5.3560 5.3560 5.3560 5.7586 5.7586 5.7586 5.7586 5.9000 5.9000 5.9000 5.9000 6.1286 6.1286 6.1286 6.1286 7.0933 7.0933 7.0933 7.0933 7.4682 7.4682 7.4682 7.4682 9.4267 9.4267 9.4267 9.4267 12.2138 12.2138 12.2138 12.2138 12.4079 12.4079 k = 0.0256 0.0148 0.2552 ( 5636 PWs) bands (ev): -18.7059 -18.7059 -18.7059 -18.7059 -5.5921 -5.5921 -5.5921 -5.5921 -3.8044 -3.8044 -3.8044 -3.8044 -3.5285 -3.5285 -3.5285 -3.5285 -0.4453 -0.4453 -0.4453 -0.4453 4.4928 4.4928 4.4928 4.4928 4.5802 4.5802 4.5802 4.5802 5.3541 5.3541 5.3541 5.3541 5.7555 5.7555 5.7555 5.7555 5.9047 5.9047 5.9047 5.9047 6.1318 6.1318 6.1318 6.1318 7.0932 7.0932 7.0932 7.0932 7.4668 7.4668 7.4668 7.4668 9.4330 9.4330 9.4330 9.4330 12.1986 12.1986 12.1986 12.1986 12.3993 12.3993 k = 0.0385 0.0222 0.2552 ( 5644 PWs) bands (ev): -18.7055 -18.7055 -18.7055 -18.7055 -5.5952 -5.5952 -5.5952 -5.5952 -3.8128 -3.8128 -3.8128 -3.8128 -3.5298 -3.5298 -3.5298 -3.5298 -0.4281 -0.4281 -0.4281 -0.4281 4.4935 4.4935 4.4935 4.4935 4.5803 4.5803 4.5803 4.5803 5.3509 5.3509 5.3509 5.3509 5.7513 5.7513 5.7513 5.7513 5.9119 5.9119 5.9119 5.9119 6.1369 6.1369 6.1369 6.1369 7.0931 7.0931 7.0931 7.0931 7.4650 7.4650 7.4650 7.4650 9.4433 9.4433 9.4433 9.4433 12.1733 12.1733 12.1733 12.1733 12.3863 12.3863 k = 0.0513 0.0296 0.2552 ( 5644 PWs) bands (ev): -18.7050 -18.7050 -18.7050 -18.7050 -5.5995 -5.5995 -5.5995 -5.5995 -3.8244 -3.8244 -3.8244 -3.8244 -3.5314 -3.5314 -3.5314 -3.5314 -0.4044 -0.4044 -0.4044 -0.4044 4.4944 4.4944 4.4944 4.4944 4.5806 4.5806 4.5806 4.5806 5.3464 5.3464 5.3464 5.3464 5.7468 5.7468 5.7468 5.7468 5.9206 5.9206 5.9206 5.9206 6.1439 6.1439 6.1439 6.1439 7.0925 7.0925 7.0925 7.0925 7.4633 7.4633 7.4633 7.4633 9.4571 9.4571 9.4571 9.4571 12.1381 12.1381 12.1381 12.1381 12.3685 12.3685 k = 0.0641 0.0370 0.2552 ( 5640 PWs) bands (ev): -18.7044 -18.7044 -18.7044 -18.7044 -5.6050 -5.6050 -5.6050 -5.6050 -3.8390 -3.8390 -3.8390 -3.8390 -3.5333 -3.5333 -3.5333 -3.5333 -0.3745 -0.3745 -0.3745 -0.3745 4.4955 4.4955 4.4955 4.4955 4.5811 4.5811 4.5811 4.5811 5.3406 5.3406 5.3406 5.3406 5.7430 5.7430 5.7430 5.7430 5.9305 5.9305 5.9305 5.9305 6.1524 6.1524 6.1524 6.1524 7.0913 7.0913 7.0913 7.0913 7.4624 7.4624 7.4624 7.4624 9.4737 9.4737 9.4737 9.4737 12.0932 12.0932 12.0932 12.0933 12.3450 12.3450 k = 0.0769 0.0444 0.2552 ( 5644 PWs) bands (ev): -18.7036 -18.7036 -18.7036 -18.7036 -5.6118 -5.6118 -5.6118 -5.6118 -3.8565 -3.8565 -3.8565 -3.8565 -3.5352 -3.5352 -3.5352 -3.5352 -0.3387 -0.3387 -0.3387 -0.3387 4.4966 4.4966 4.4966 4.4966 4.5819 4.5819 4.5819 4.5819 5.3335 5.3335 5.3335 5.3335 5.7403 5.7403 5.7403 5.7403 5.9409 5.9409 5.9409 5.9409 6.1621 6.1621 6.1621 6.1621 7.0892 7.0892 7.0892 7.0892 7.4633 7.4633 7.4633 7.4633 9.4924 9.4924 9.4924 9.4924 12.0393 12.0393 12.0393 12.0393 12.3147 12.3147 k = 0.0897 0.0518 0.2552 ( 5634 PWs) bands (ev): -18.7027 -18.7027 -18.7027 -18.7027 -5.6197 -5.6197 -5.6197 -5.6197 -3.8767 -3.8767 -3.8767 -3.8767 -3.5372 -3.5372 -3.5372 -3.5372 -0.2975 -0.2975 -0.2975 -0.2975 4.4977 4.4977 4.4977 4.4977 4.5829 4.5829 4.5829 4.5829 5.3252 5.3252 5.3252 5.3252 5.7393 5.7393 5.7393 5.7393 5.9515 5.9515 5.9515 5.9515 6.1727 6.1727 6.1727 6.1727 7.0860 7.0860 7.0860 7.0860 7.4667 7.4667 7.4667 7.4667 9.5123 9.5123 9.5123 9.5123 11.9770 11.9770 11.9770 11.9770 12.2774 12.2774 k = 0.1026 0.0592 0.2552 ( 5630 PWs) bands (ev): -18.7017 -18.7017 -18.7017 -18.7017 -5.6287 -5.6287 -5.6287 -5.6287 -3.8992 -3.8992 -3.8992 -3.8992 -3.5392 -3.5392 -3.5392 -3.5392 -0.2514 -0.2514 -0.2514 -0.2514 4.4986 4.4986 4.4986 4.4986 4.5844 4.5844 4.5844 4.5844 5.3158 5.3158 5.3158 5.3158 5.7402 5.7402 5.7402 5.7402 5.9623 5.9623 5.9623 5.9623 6.1837 6.1837 6.1837 6.1837 7.0816 7.0816 7.0816 7.0816 7.4736 7.4736 7.4736 7.4736 9.5326 9.5326 9.5326 9.5326 11.9076 11.9076 11.9076 11.9076 12.2335 12.2335 k = 0.1154 0.0666 0.2552 ( 5630 PWs) bands (ev): -18.7006 -18.7006 -18.7006 -18.7006 -5.6389 -5.6389 -5.6389 -5.6389 -3.9237 -3.9237 -3.9237 -3.9237 -3.5410 -3.5410 -3.5410 -3.5410 -0.2009 -0.2009 -0.2009 -0.2009 4.4993 4.4993 4.4993 4.4993 4.5863 4.5863 4.5863 4.5863 5.3055 5.3055 5.3055 5.3055 5.7431 5.7431 5.7431 5.7431 5.9731 5.9731 5.9731 5.9731 6.1949 6.1949 6.1949 6.1949 7.0760 7.0760 7.0760 7.0760 7.4846 7.4846 7.4846 7.4846 9.5521 9.5521 9.5521 9.5521 11.8325 11.8325 11.8325 11.8325 12.1845 12.1845 k = 0.1282 0.0740 0.2552 ( 5630 PWs) bands (ev): -18.6993 -18.6993 -18.6993 -18.6993 -5.6501 -5.6501 -5.6501 -5.6501 -3.9498 -3.9498 -3.9498 -3.9498 -3.5427 -3.5427 -3.5427 -3.5427 -0.1464 -0.1464 -0.1464 -0.1464 4.4998 4.4998 4.4998 4.4998 4.5888 4.5888 4.5888 4.5888 5.2946 5.2946 5.2946 5.2946 5.7479 5.7479 5.7479 5.7479 5.9838 5.9838 5.9838 5.9838 6.2059 6.2059 6.2059 6.2059 7.0696 7.0696 7.0696 7.0696 7.5001 7.5001 7.5001 7.5001 9.5698 9.5698 9.5698 9.5698 11.7539 11.7539 11.7539 11.7539 12.1317 12.1317 k = 0.1410 0.0814 0.2552 ( 5628 PWs) bands (ev): -18.6980 -18.6980 -18.6980 -18.6980 -5.6623 -5.6623 -5.6623 -5.6623 -3.9774 -3.9774 -3.9774 -3.9774 -3.5443 -3.5443 -3.5443 -3.5443 -0.0886 -0.0886 -0.0886 -0.0886 4.4999 4.4999 4.4999 4.4999 4.5917 4.5917 4.5917 4.5917 5.2834 5.2834 5.2834 5.2834 5.7546 5.7546 5.7546 5.7546 5.9943 5.9943 5.9943 5.9943 6.2164 6.2164 6.2164 6.2164 7.0628 7.0628 7.0628 7.0628 7.5203 7.5203 7.5203 7.5203 9.5845 9.5845 9.5845 9.5845 11.6736 11.6736 11.6736 11.6736 12.0765 12.0765 k = 0.1538 0.0888 0.2552 ( 5618 PWs) bands (ev): -18.6966 -18.6966 -18.6966 -18.6966 -5.6754 -5.6754 -5.6754 -5.6754 -4.0058 -4.0058 -4.0058 -4.0058 -3.5457 -3.5457 -3.5457 -3.5457 -0.0279 -0.0279 -0.0279 -0.0279 4.4998 4.4998 4.4998 4.4998 4.5952 4.5952 4.5952 4.5952 5.2722 5.2722 5.2722 5.2722 5.7629 5.7629 5.7629 5.7629 6.0047 6.0047 6.0047 6.0047 6.2260 6.2260 6.2260 6.2260 7.0561 7.0561 7.0561 7.0561 7.5455 7.5455 7.5455 7.5455 9.5951 9.5951 9.5951 9.5951 11.5940 11.5940 11.5940 11.5940 12.0200 12.0200 k = 0.1667 0.0962 0.2552 ( 5614 PWs) bands (ev): -18.6950 -18.6950 -18.6950 -18.6950 -5.6894 -5.6894 -5.6894 -5.6894 -4.0350 -4.0350 -4.0350 -4.0350 -3.5469 -3.5469 -3.5469 -3.5469 0.0351 0.0351 0.0351 0.0351 4.4995 4.4995 4.4995 4.4995 4.5991 4.5991 4.5991 4.5991 5.2612 5.2612 5.2612 5.2612 5.7725 5.7725 5.7725 5.7725 6.0148 6.0148 6.0148 6.0148 6.2347 6.2347 6.2347 6.2347 7.0503 7.0503 7.0503 7.0503 7.5754 7.5754 7.5754 7.5754 9.6004 9.6004 9.6004 9.6004 11.5171 11.5171 11.5171 11.5171 11.9629 11.9629 k = 0.1795 0.1036 0.2552 ( 5612 PWs) bands (ev): -18.6934 -18.6934 -18.6934 -18.6934 -5.7042 -5.7042 -5.7042 -5.7042 -4.0645 -4.0645 -4.0645 -4.0645 -3.5479 -3.5479 -3.5479 -3.5479 0.0999 0.0999 0.0999 0.0999 4.4991 4.4991 4.4991 4.4991 4.6034 4.6034 4.6034 4.6034 5.2507 5.2507 5.2507 5.2507 5.7833 5.7833 5.7833 5.7833 6.0246 6.0246 6.0246 6.0246 6.2422 6.2422 6.2422 6.2422 7.0458 7.0458 7.0458 7.0458 7.6100 7.6100 7.6100 7.6100 9.5994 9.5994 9.5994 9.5994 11.4449 11.4449 11.4449 11.4449 11.9057 11.9057 k = 0.1923 0.1110 0.2552 ( 5626 PWs) bands (ev): -18.6918 -18.6918 -18.6918 -18.6918 -5.7198 -5.7198 -5.7198 -5.7198 -4.0940 -4.0940 -4.0940 -4.0940 -3.5488 -3.5488 -3.5488 -3.5488 0.1659 0.1659 0.1659 0.1659 4.4988 4.4988 4.4988 4.4988 4.6079 4.6079 4.6079 4.6079 5.2409 5.2409 5.2409 5.2409 5.7949 5.7949 5.7949 5.7949 6.0341 6.0341 6.0341 6.0341 6.2486 6.2486 6.2486 6.2486 7.0433 7.0433 7.0433 7.0433 7.6493 7.6493 7.6493 7.6493 9.5910 9.5910 9.5910 9.5910 11.3789 11.3789 11.3789 11.3789 11.8489 11.8489 k = 0.2051 0.1184 0.2552 ( 5630 PWs) bands (ev): -18.6901 -18.6901 -18.6901 -18.6901 -5.7359 -5.7359 -5.7359 -5.7359 -4.1234 -4.1234 -4.1234 -4.1234 -3.5495 -3.5495 -3.5495 -3.5495 0.2328 0.2328 0.2328 0.2328 4.4986 4.4986 4.4986 4.4986 4.6126 4.6126 4.6126 4.6126 5.2320 5.2320 5.2320 5.2320 5.8071 5.8071 5.8071 5.8071 6.0431 6.0431 6.0431 6.0431 6.2540 6.2540 6.2540 6.2540 7.0432 7.0432 7.0432 7.0432 7.6928 7.6928 7.6928 7.6928 9.5747 9.5747 9.5747 9.5747 11.3205 11.3205 11.3205 11.3205 11.7928 11.7928 k = 0.2179 0.1258 0.2552 ( 5630 PWs) bands (ev): -18.6883 -18.6883 -18.6883 -18.6883 -5.7526 -5.7526 -5.7526 -5.7526 -4.1524 -4.1524 -4.1524 -4.1524 -3.5501 -3.5501 -3.5501 -3.5501 0.2999 0.2999 0.2999 0.2999 4.4986 4.4986 4.4986 4.4986 4.6174 4.6174 4.6174 4.6174 5.2241 5.2241 5.2241 5.2241 5.8195 5.8195 5.8195 5.8195 6.0516 6.0516 6.0516 6.0516 6.2584 6.2584 6.2584 6.2584 7.0459 7.0459 7.0459 7.0459 7.7406 7.7406 7.7406 7.7406 9.5499 9.5499 9.5499 9.5499 11.2705 11.2705 11.2705 11.2705 11.7376 11.7376 k = 0.2308 0.1332 0.2552 ( 5630 PWs) bands (ev): -18.6866 -18.6866 -18.6866 -18.6866 -5.7697 -5.7697 -5.7697 -5.7697 -4.1807 -4.1807 -4.1807 -4.1807 -3.5506 -3.5506 -3.5506 -3.5506 0.3669 0.3669 0.3669 0.3669 4.4991 4.4991 4.4991 4.4991 4.6220 4.6220 4.6220 4.6220 5.2175 5.2175 5.2175 5.2175 5.8320 5.8320 5.8320 5.8320 6.0595 6.0595 6.0595 6.0595 6.2620 6.2620 6.2620 6.2620 7.0514 7.0514 7.0514 7.0514 7.7923 7.7923 7.7923 7.7923 9.5167 9.5167 9.5167 9.5167 11.2294 11.2294 11.2294 11.2294 11.6836 11.6836 k = 0.2436 0.1406 0.2552 ( 5632 PWs) bands (ev): -18.6848 -18.6848 -18.6848 -18.6848 -5.7871 -5.7871 -5.7871 -5.7871 -4.2083 -4.2083 -4.2083 -4.2083 -3.5509 -3.5509 -3.5509 -3.5509 0.4332 0.4332 0.4332 0.4332 4.5001 4.5001 4.5001 4.5001 4.6266 4.6266 4.6266 4.6266 5.2122 5.2122 5.2122 5.2122 5.8442 5.8442 5.8442 5.8442 6.0667 6.0667 6.0667 6.0667 6.2652 6.2652 6.2652 6.2652 7.0600 7.0600 7.0600 7.0600 7.8478 7.8478 7.8478 7.8478 9.4756 9.4756 9.4756 9.4756 11.1969 11.1969 11.1969 11.1969 11.6312 11.6312 k = 0.2564 0.1480 0.2552 ( 5628 PWs) bands (ev): -18.6830 -18.6830 -18.6830 -18.6830 -5.8047 -5.8047 -5.8047 -5.8047 -4.2350 -4.2350 -4.2350 -4.2350 -3.5511 -3.5511 -3.5511 -3.5511 0.4986 0.4986 0.4986 0.4986 4.5017 4.5017 4.5017 4.5017 4.6308 4.6308 4.6308 4.6308 5.2082 5.2082 5.2082 5.2082 5.8559 5.8559 5.8559 5.8559 6.0732 6.0732 6.0732 6.0732 6.2683 6.2683 6.2683 6.2683 7.0716 7.0716 7.0716 7.0716 7.9066 7.9066 7.9066 7.9066 9.4274 9.4274 9.4274 9.4274 11.1725 11.1725 11.1725 11.1725 11.5805 11.5805 k = 0.2692 0.1554 0.2552 ( 5640 PWs) bands (ev): -18.6811 -18.6811 -18.6811 -18.6811 -5.8224 -5.8224 -5.8224 -5.8224 -4.2606 -4.2606 -4.2606 -4.2606 -3.5512 -3.5512 -3.5512 -3.5512 0.5625 0.5625 0.5625 0.5625 4.5040 4.5040 4.5040 4.5040 4.6348 4.6348 4.6348 4.6348 5.2057 5.2057 5.2057 5.2057 5.8669 5.8669 5.8669 5.8669 6.0791 6.0791 6.0791 6.0791 6.2714 6.2714 6.2714 6.2714 7.0860 7.0860 7.0860 7.0860 7.9686 7.9686 7.9686 7.9686 9.3733 9.3733 9.3733 9.3733 11.1553 11.1553 11.1553 11.1553 11.5319 11.5319 k = 0.2821 0.1628 0.2552 ( 5632 PWs) bands (ev): -18.6794 -18.6794 -18.6794 -18.6794 -5.8400 -5.8400 -5.8400 -5.8400 -4.2851 -4.2851 -4.2851 -4.2851 -3.5512 -3.5512 -3.5512 -3.5512 0.6245 0.6245 0.6245 0.6245 4.5070 4.5070 4.5070 4.5070 4.6383 4.6383 4.6383 4.6383 5.2046 5.2046 5.2046 5.2046 5.8770 5.8770 5.8770 5.8770 6.0844 6.0844 6.0844 6.0844 6.2749 6.2749 6.2749 6.2749 7.1031 7.1031 7.1031 7.1031 8.0334 8.0334 8.0334 8.0334 9.3144 9.3144 9.3144 9.3144 11.1438 11.1438 11.1438 11.1438 11.4860 11.4860 k = 0.2949 0.1702 0.2552 ( 5630 PWs) bands (ev): -18.6776 -18.6776 -18.6776 -18.6776 -5.8575 -5.8575 -5.8575 -5.8575 -4.3084 -4.3084 -4.3084 -4.3084 -3.5512 -3.5512 -3.5512 -3.5512 0.6845 0.6845 0.6845 0.6845 4.5107 4.5107 4.5107 4.5107 4.6414 4.6414 4.6414 4.6414 5.2050 5.2050 5.2050 5.2050 5.8861 5.8861 5.8861 5.8861 6.0891 6.0891 6.0891 6.0891 6.2790 6.2790 6.2790 6.2790 7.1226 7.1226 7.1226 7.1226 8.1005 8.1005 8.1005 8.1005 9.2524 9.2524 9.2524 9.2524 11.1363 11.1363 11.1363 11.1363 11.4432 11.4432 k = 0.3077 0.1776 0.2552 ( 5634 PWs) bands (ev): -18.6759 -18.6759 -18.6759 -18.6759 -5.8746 -5.8746 -5.8746 -5.8746 -4.3304 -4.3304 -4.3304 -4.3304 -3.5511 -3.5511 -3.5511 -3.5511 0.7419 0.7419 0.7419 0.7419 4.5151 4.5151 4.5151 4.5151 4.6441 4.6441 4.6441 4.6441 5.2068 5.2068 5.2068 5.2068 5.8940 5.8940 5.8940 5.8940 6.0933 6.0933 6.0933 6.0933 6.2836 6.2836 6.2836 6.2836 7.1441 7.1441 7.1441 7.1441 8.1695 8.1695 8.1695 8.1695 9.1886 9.1886 9.1886 9.1886 11.1311 11.1311 11.1311 11.1311 11.4044 11.4044 k = 0.3205 0.1850 0.2552 ( 5628 PWs) bands (ev): -18.6742 -18.6742 -18.6742 -18.6742 -5.8913 -5.8913 -5.8913 -5.8913 -4.3511 -4.3511 -4.3511 -4.3511 -3.5509 -3.5509 -3.5509 -3.5509 0.7966 0.7966 0.7966 0.7966 4.5201 4.5201 4.5201 4.5201 4.6463 4.6463 4.6463 4.6463 5.2099 5.2099 5.2099 5.2099 5.9009 5.9009 5.9009 5.9009 6.0972 6.0972 6.0972 6.0972 6.2889 6.2889 6.2889 6.2889 7.1672 7.1672 7.1672 7.1672 8.2398 8.2398 8.2398 8.2398 9.1246 9.1246 9.1246 9.1246 11.1257 11.1257 11.1257 11.1257 11.3709 11.3709 k = 0.3333 0.1925 0.2552 ( 5632 PWs) bands (ev): -18.6726 -18.6726 -18.6726 -18.6726 -5.9075 -5.9075 -5.9075 -5.9075 -4.3704 -4.3704 -4.3704 -4.3704 -3.5506 -3.5506 -3.5506 -3.5506 0.8483 0.8483 0.8483 0.8483 4.5256 4.5256 4.5256 4.5256 4.6480 4.6480 4.6480 4.6480 5.2143 5.2143 5.2143 5.2143 5.9066 5.9066 5.9066 5.9066 6.1009 6.1009 6.1009 6.1009 6.2948 6.2948 6.2948 6.2948 7.1913 7.1913 7.1913 7.1913 8.3109 8.3109 8.3109 8.3109 9.0615 9.0615 9.0615 9.0615 11.1179 11.1179 11.1179 11.1179 11.3440 11.3440 k = 0.3462 0.1999 0.2552 ( 5622 PWs) bands (ev): -18.6711 -18.6711 -18.6711 -18.6711 -5.9230 -5.9230 -5.9230 -5.9230 -4.3883 -4.3883 -4.3883 -4.3883 -3.5504 -3.5504 -3.5504 -3.5504 0.8967 0.8967 0.8967 0.8967 4.5315 4.5315 4.5315 4.5315 4.6493 4.6493 4.6493 4.6493 5.2199 5.2199 5.2199 5.2199 5.9114 5.9114 5.9114 5.9114 6.1043 6.1043 6.1043 6.1043 6.3011 6.3011 6.3011 6.3011 7.2161 7.2161 7.2161 7.2161 8.3819 8.3819 8.3819 8.3819 9.0010 9.0010 9.0010 9.0010 11.1056 11.1056 11.1056 11.1056 11.3247 11.3247 k = 0.3590 0.2073 0.2552 ( 5626 PWs) bands (ev): -18.6696 -18.6696 -18.6696 -18.6696 -5.9376 -5.9376 -5.9376 -5.9376 -4.4048 -4.4048 -4.4048 -4.4048 -3.5501 -3.5501 -3.5501 -3.5501 0.9417 0.9417 0.9417 0.9417 4.5377 4.5377 4.5377 4.5377 4.6502 4.6502 4.6502 4.6502 5.2265 5.2265 5.2265 5.2265 5.9153 5.9153 5.9153 5.9153 6.1076 6.1076 6.1076 6.1076 6.3078 6.3078 6.3078 6.3078 7.2408 7.2408 7.2408 7.2408 8.4520 8.4520 8.4520 8.4520 8.9442 8.9442 8.9442 8.9442 11.0881 11.0881 11.0881 11.0881 11.3128 11.3128 k = 0.3718 0.2147 0.2552 ( 5628 PWs) bands (ev): -18.6683 -18.6683 -18.6683 -18.6683 -5.9514 -5.9514 -5.9514 -5.9514 -4.4199 -4.4199 -4.4199 -4.4199 -3.5498 -3.5498 -3.5498 -3.5498 0.9831 0.9831 0.9831 0.9831 4.5440 4.5440 4.5440 4.5440 4.6507 4.6507 4.6507 4.6507 5.2338 5.2338 5.2338 5.2338 5.9186 5.9186 5.9186 5.9186 6.1107 6.1107 6.1107 6.1107 6.3148 6.3148 6.3148 6.3148 7.2650 7.2650 7.2650 7.2650 8.5196 8.5196 8.5196 8.5196 8.8927 8.8927 8.8927 8.8927 11.0660 11.0660 11.0660 11.0660 11.3067 11.3067 k = 0.3846 0.2221 0.2552 ( 5632 PWs) bands (ev): -18.6670 -18.6670 -18.6670 -18.6670 -5.9643 -5.9643 -5.9643 -5.9643 -4.4335 -4.4335 -4.4335 -4.4335 -3.5494 -3.5494 -3.5494 -3.5494 1.0207 1.0207 1.0207 1.0207 4.5502 4.5502 4.5502 4.5502 4.6510 4.6510 4.6510 4.6510 5.2416 5.2416 5.2416 5.2416 5.9213 5.9213 5.9213 5.9213 6.1135 6.1135 6.1135 6.1135 6.3218 6.3218 6.3218 6.3218 7.2879 7.2879 7.2879 7.2879 8.5826 8.5826 8.5826 8.5826 8.8489 8.8489 8.8489 8.8489 11.0409 11.0409 11.0409 11.0409 11.3039 11.3039 k = 0.3974 0.2295 0.2552 ( 5620 PWs) bands (ev): -18.6658 -18.6658 -18.6658 -18.6658 -5.9760 -5.9760 -5.9760 -5.9760 -4.4457 -4.4457 -4.4457 -4.4457 -3.5491 -3.5491 -3.5491 -3.5491 1.0546 1.0546 1.0546 1.0546 4.5561 4.5561 4.5561 4.5561 4.6511 4.6511 4.6511 4.6511 5.2497 5.2497 5.2497 5.2497 5.9237 5.9237 5.9237 5.9237 6.1161 6.1161 6.1161 6.1161 6.3287 6.3287 6.3287 6.3287 7.3090 7.3090 7.3090 7.3090 8.6360 8.6360 8.6360 8.6360 8.8173 8.8173 8.8173 8.8173 11.0146 11.0146 11.0146 11.0146 11.3019 11.3019 k = 0.4103 0.2369 0.2552 ( 5632 PWs) bands (ev): -18.6648 -18.6648 -18.6648 -18.6648 -5.9865 -5.9865 -5.9865 -5.9865 -4.4565 -4.4565 -4.4565 -4.4565 -3.5488 -3.5488 -3.5488 -3.5488 1.0846 1.0846 1.0846 1.0846 4.5617 4.5617 4.5617 4.5617 4.6511 4.6511 4.6511 4.6511 5.2579 5.2579 5.2579 5.2579 5.9258 5.9258 5.9258 5.9258 6.1183 6.1183 6.1183 6.1183 6.3354 6.3354 6.3354 6.3354 7.3279 7.3279 7.3279 7.3279 8.6686 8.6686 8.6686 8.6686 8.8085 8.8085 8.8085 8.8085 10.9883 10.9883 10.9883 10.9883 11.2988 11.2988 k = 0.4231 0.2443 0.2552 ( 5632 PWs) bands (ev): -18.6639 -18.6639 -18.6639 -18.6639 -5.9958 -5.9958 -5.9958 -5.9958 -4.4658 -4.4658 -4.4658 -4.4658 -3.5485 -3.5485 -3.5485 -3.5485 1.1106 1.1106 1.1106 1.1106 4.5667 4.5667 4.5667 4.5667 4.6510 4.6510 4.6510 4.6510 5.2657 5.2657 5.2657 5.2657 5.9277 5.9277 5.9277 5.9277 6.1202 6.1202 6.1202 6.1202 6.3417 6.3417 6.3417 6.3417 7.3441 7.3441 7.3441 7.3441 8.6724 8.6724 8.6724 8.6724 8.8297 8.8297 8.8297 8.8297 10.9632 10.9632 10.9632 10.9632 11.2932 11.2932 k = 0.4359 0.2517 0.2552 ( 5632 PWs) bands (ev): -18.6631 -18.6631 -18.6631 -18.6631 -6.0038 -6.0038 -6.0038 -6.0038 -4.4737 -4.4737 -4.4737 -4.4737 -3.5483 -3.5483 -3.5483 -3.5483 1.1326 1.1326 1.1326 1.1326 4.5711 4.5711 4.5711 4.5711 4.6509 4.6509 4.6509 4.6509 5.2729 5.2729 5.2729 5.2729 5.9294 5.9294 5.9294 5.9294 6.1218 6.1218 6.1218 6.1218 6.3474 6.3474 6.3474 6.3474 7.3576 7.3576 7.3576 7.3576 8.6608 8.6608 8.6608 8.6608 8.8662 8.8662 8.8662 8.8662 10.9401 10.9401 10.9401 10.9401 11.2847 11.2847 k = 0.4487 0.2591 0.2552 ( 5636 PWs) bands (ev): -18.6625 -18.6625 -18.6625 -18.6625 -6.0104 -6.0104 -6.0104 -6.0104 -4.4801 -4.4801 -4.4801 -4.4801 -3.5480 -3.5480 -3.5480 -3.5480 1.1507 1.1507 1.1507 1.1507 4.5748 4.5748 4.5748 4.5748 4.6508 4.6508 4.6508 4.6508 5.2792 5.2792 5.2792 5.2792 5.9309 5.9309 5.9309 5.9309 6.1230 6.1230 6.1230 6.1230 6.3523 6.3523 6.3523 6.3523 7.3682 7.3682 7.3682 7.3682 8.6471 8.6471 8.6471 8.6471 8.9035 8.9035 8.9035 8.9035 10.9199 10.9199 10.9199 10.9199 11.2738 11.2738 k = 0.4615 0.2665 0.2552 ( 5636 PWs) bands (ev): -18.6619 -18.6619 -18.6619 -18.6619 -6.0156 -6.0156 -6.0156 -6.0156 -4.4851 -4.4851 -4.4851 -4.4851 -3.5479 -3.5479 -3.5479 -3.5479 1.1648 1.1648 1.1648 1.1648 4.5776 4.5776 4.5776 4.5776 4.6508 4.6508 4.6508 4.6508 5.2844 5.2844 5.2844 5.2844 5.9322 5.9322 5.9322 5.9322 6.1239 6.1239 6.1239 6.1239 6.3563 6.3563 6.3563 6.3563 7.3761 7.3761 7.3761 7.3761 8.6354 8.6354 8.6354 8.6354 8.9356 8.9356 8.9356 8.9356 10.9033 10.9033 10.9033 10.9033 11.2621 11.2621 k = 0.4744 0.2739 0.2552 ( 5646 PWs) bands (ev): -18.6616 -18.6616 -18.6616 -18.6616 -6.0193 -6.0193 -6.0193 -6.0193 -4.4887 -4.4887 -4.4887 -4.4887 -3.5477 -3.5477 -3.5477 -3.5477 1.1748 1.1748 1.1748 1.1748 4.5797 4.5797 4.5797 4.5797 4.6507 4.6507 4.6507 4.6507 5.2883 5.2883 5.2883 5.2883 5.9332 5.9332 5.9332 5.9332 6.1246 6.1246 6.1246 6.1246 6.3593 6.3593 6.3593 6.3593 7.3815 7.3815 7.3815 7.3815 8.6270 8.6270 8.6270 8.6270 8.9599 8.9599 8.9599 8.9599 10.8908 10.8908 10.8908 10.8908 11.2516 11.2516 k = 0.4872 0.2813 0.2552 ( 5648 PWs) bands (ev): -18.6614 -18.6614 -18.6614 -18.6614 -6.0216 -6.0216 -6.0216 -6.0216 -4.4909 -4.4909 -4.4909 -4.4909 -3.5477 -3.5477 -3.5477 -3.5477 1.1808 1.1808 1.1808 1.1808 4.5809 4.5809 4.5809 4.5809 4.6507 4.6507 4.6507 4.6507 5.2907 5.2907 5.2907 5.2907 5.9338 5.9338 5.9338 5.9338 6.1250 6.1250 6.1250 6.1250 6.3611 6.3611 6.3611 6.3611 7.3847 7.3847 7.3847 7.3847 8.6221 8.6221 8.6221 8.6221 8.9750 8.9750 8.9750 8.9750 10.8832 10.8832 10.8832 10.8832 11.2443 11.2443 k = 0.5000 0.2887 0.2552 ( 5648 PWs) bands (ev): -18.6613 -18.6613 -18.6613 -18.6613 -6.0224 -6.0224 -6.0224 -6.0224 -4.4916 -4.4916 -4.4916 -4.4916 -3.5476 -3.5476 -3.5476 -3.5476 1.1828 1.1828 1.1828 1.1828 4.5814 4.5814 4.5814 4.5814 4.6507 4.6507 4.6507 4.6507 5.2915 5.2915 5.2915 5.2915 5.9340 5.9340 5.9340 5.9340 6.1251 6.1251 6.1251 6.1251 6.3617 6.3617 6.3617 6.3617 7.3857 7.3857 7.3857 7.3857 8.6205 8.6205 8.6205 8.6205 8.9801 8.9801 8.9801 8.9801 10.8806 10.8806 10.8806 10.8806 11.2417 11.2417 k = 0.5000 0.2887 0.2552 ( 5648 PWs) bands (ev): -18.6613 -18.6613 -18.6613 -18.6613 -6.0224 -6.0224 -6.0224 -6.0224 -4.4916 -4.4916 -4.4916 -4.4916 -3.5476 -3.5476 -3.5476 -3.5476 1.1828 1.1828 1.1828 1.1828 4.5814 4.5814 4.5814 4.5814 4.6507 4.6507 4.6507 4.6507 5.2915 5.2915 5.2915 5.2915 5.9340 5.9340 5.9340 5.9340 6.1251 6.1251 6.1251 6.1251 6.3617 6.3617 6.3617 6.3617 7.3857 7.3857 7.3857 7.3857 8.6205 8.6205 8.6205 8.6205 8.9801 8.9801 8.9801 8.9801 10.8806 10.8806 10.8806 10.8806 11.2417 11.2417 k = 0.4928 0.3012 0.2552 ( 5644 PWs) bands (ev): -18.6613 -18.6613 -18.6612 -18.6612 -6.0352 -6.0352 -6.0093 -6.0093 -4.5167 -4.5167 -4.4675 -4.4675 -3.5531 -3.5531 -3.5428 -3.5428 1.1696 1.1696 1.1995 1.1995 4.5783 4.5783 4.5836 4.5836 4.6481 4.6481 4.6544 4.6544 5.2914 5.2914 5.2932 5.2932 5.9314 5.9314 5.9337 5.9337 6.1190 6.1190 6.1332 6.1332 6.3580 6.3580 6.3653 6.3653 7.3864 7.3864 7.3872 7.3872 8.5777 8.5777 8.6200 8.6200 8.9809 8.9809 9.0182 9.0182 10.8592 10.8592 10.9026 10.9026 11.2368 11.2368 k = 0.4855 0.3138 0.2552 ( 5652 PWs) bands (ev): -18.6613 -18.6613 -18.6611 -18.6611 -6.0477 -6.0477 -5.9961 -5.9961 -4.5427 -4.5427 -4.4445 -4.4445 -3.5593 -3.5593 -3.5386 -3.5386 1.1598 1.1598 1.2195 1.2195 4.5749 4.5749 4.5844 4.5844 4.6472 4.6472 4.6588 4.6588 5.2931 5.2931 5.2967 5.2967 5.9257 5.9257 5.9312 5.9312 6.1155 6.1155 6.1430 6.1430 6.3543 6.3543 6.3688 6.3688 7.3892 7.3892 7.3907 7.3907 8.5091 8.5091 8.5774 8.5774 9.0197 9.0197 9.0777 9.0777 10.8390 10.8390 10.9242 10.9242 11.2265 11.2265 k = 0.4783 0.3263 0.2552 ( 5646 PWs) bands (ev): -18.6612 -18.6612 -18.6609 -18.6609 -6.0600 -6.0600 -5.9828 -5.9828 -4.5696 -4.5696 -4.4227 -4.4227 -3.5661 -3.5661 -3.5351 -3.5351 1.1535 1.1535 1.2426 1.2426 4.5714 4.5714 4.5831 4.5831 4.6487 4.6487 4.6633 4.6633 5.2965 5.2965 5.3018 5.3018 5.9171 5.9171 5.9270 5.9270 6.1146 6.1146 6.1536 6.1536 6.3507 6.3507 6.3721 6.3721 7.3939 7.3939 7.3958 7.3958 8.4280 8.4280 8.5112 8.5112 9.0784 9.0784 9.1449 9.1449 10.8201 10.8201 10.9436 10.9436 11.2116 11.2116 k = 0.4710 0.3389 0.2552 ( 5638 PWs) bands (ev): -18.6611 -18.6611 -18.6607 -18.6607 -6.0720 -6.0720 -5.9693 -5.9693 -4.5972 -4.5972 -4.4021 -4.4021 -3.5735 -3.5735 -3.5321 -3.5321 1.1505 1.1505 1.2687 1.2687 4.5680 4.5680 4.5796 4.5796 4.6528 4.6528 4.6679 4.6679 5.3017 5.3017 5.3087 5.3087 5.9058 5.9058 5.9216 5.9216 6.1161 6.1161 6.1646 6.1646 6.3471 6.3471 6.3752 6.3752 7.4003 7.4003 7.4020 7.4020 8.3412 8.3412 8.4347 8.4347 9.1442 9.1442 9.2132 9.2132 10.8026 10.8026 10.9575 10.9575 11.1943 11.1943 k = 0.4638 0.3514 0.2552 ( 5634 PWs) bands (ev): -18.6609 -18.6609 -18.6605 -18.6605 -6.0837 -6.0837 -5.9558 -5.9558 -4.6253 -4.6253 -4.3827 -4.3827 -3.5814 -3.5814 -3.5297 -3.5297 1.1507 1.1507 1.2974 1.2974 4.5649 4.5649 4.5742 4.5742 4.6591 4.6591 4.6725 4.6725 5.3088 5.3088 5.3174 5.3174 5.8927 5.8927 5.9156 5.9156 6.1195 6.1195 6.1754 6.1754 6.3436 6.3436 6.3779 6.3779 7.4075 7.4075 7.4086 7.4086 8.2523 8.2523 8.3550 8.3550 9.2106 9.2106 9.2789 9.2789 10.7861 10.7861 10.9607 10.9607 11.1794 11.1794 k = 0.4565 0.3640 0.2552 ( 5636 PWs) bands (ev): -18.6607 -18.6607 -18.6602 -18.6602 -6.0951 -6.0951 -5.9422 -5.9422 -4.6539 -4.6539 -4.3645 -4.3645 -3.5898 -3.5898 -3.5277 -3.5277 1.1539 1.1539 1.3285 1.3285 4.5619 4.5619 4.5673 4.5673 4.6671 4.6671 4.6768 4.6768 5.3178 5.3178 5.3280 5.3280 5.8783 5.8783 5.9093 5.9093 6.1245 6.1245 6.1858 6.1858 6.3402 6.3402 6.3803 6.3803 7.4142 7.4142 7.4146 7.4146 8.1641 8.1641 8.2762 8.2762 9.2745 9.2745 9.3398 9.3398 10.7703 10.7703 10.9476 10.9476 11.1561 11.1561 k = 0.4493 0.3765 0.2552 ( 5636 PWs) bands (ev): -18.6605 -18.6605 -18.6599 -18.6599 -6.1061 -6.1061 -5.9287 -5.9287 -4.6827 -4.6827 -4.3477 -4.3477 -3.5985 -3.5985 -3.5263 -3.5263 1.1599 1.1599 1.3615 1.3615 4.5590 4.5590 4.5593 4.5593 4.6763 4.6763 4.6809 4.6809 5.3287 5.3287 5.3406 5.3406 5.8633 5.8633 5.9031 5.9031 6.1307 6.1307 6.1956 6.1956 6.3370 6.3370 6.3823 6.3823 7.4172 7.4172 7.4199 7.4199 8.0791 8.0791 8.2014 8.2014 9.3342 9.3342 9.3943 9.3943 10.7548 10.7548 10.9167 10.9167 11.1304 11.1304 k = 0.4420 0.3891 0.2552 ( 5632 PWs) bands (ev): -18.6602 -18.6602 -18.6596 -18.6596 -6.1167 -6.1167 -5.9154 -5.9154 -4.7115 -4.7115 -4.3322 -4.3322 -3.6075 -3.6075 -3.5251 -3.5251 1.1683 1.1683 1.3961 1.3961 4.5507 4.5507 4.5563 4.5563 4.6849 4.6849 4.6865 4.6865 5.3417 5.3417 5.3552 5.3552 5.8485 5.8485 5.8973 5.8973 6.1376 6.1376 6.2045 6.2045 6.3338 6.3338 6.3839 6.3839 7.4154 7.4154 7.4205 7.4205 8.0007 8.0007 8.1339 8.1339 9.3880 9.3880 9.4409 9.4409 10.7395 10.7395 10.8727 10.8727 11.1064 11.1064 k = 0.4348 0.4016 0.2552 ( 5624 PWs) bands (ev): -18.6599 -18.6599 -18.6592 -18.6592 -6.1268 -6.1268 -5.9021 -5.9021 -4.7403 -4.7403 -4.3179 -4.3179 -3.6166 -3.6166 -3.5243 -3.5243 1.1789 1.1789 1.4317 1.4317 4.5416 4.5416 4.5536 4.5536 4.6886 4.6886 4.6972 4.6972 5.3567 5.3567 5.3720 5.3720 5.8344 5.8344 5.8922 5.8922 6.1452 6.1452 6.2125 6.2125 6.3308 6.3308 6.3850 6.3850 7.4059 7.4059 7.4127 7.4127 7.9332 7.9332 8.0770 8.0770 9.4349 9.4349 9.4784 9.4784 10.7245 10.7245 10.8219 10.8219 11.0862 11.0862 k = 0.4275 0.4142 0.2552 ( 5624 PWs) bands (ev): -18.6596 -18.6596 -18.6588 -18.6588 -6.1366 -6.1366 -5.8892 -5.8892 -4.7686 -4.7686 -4.3049 -4.3049 -3.6256 -3.6256 -3.5238 -3.5238 1.1912 1.1912 1.4680 1.4680 4.5322 4.5322 4.5509 4.5509 4.6920 4.6920 4.7082 4.7082 5.3735 5.3735 5.3909 5.3909 5.8215 5.8215 5.8878 5.8878 6.1534 6.1534 6.2197 6.2197 6.3278 6.3278 6.3856 6.3856 7.3861 7.3861 7.3918 7.3918 7.8816 7.8816 8.0338 8.0338 9.4735 9.4735 9.5056 9.5056 10.7104 10.7104 10.7693 10.7693 11.0709 11.0709 k = 0.4203 0.4267 0.2552 ( 5626 PWs) bands (ev): -18.6593 -18.6593 -18.6584 -18.6584 -6.1458 -6.1458 -5.8766 -5.8766 -4.7963 -4.7963 -4.2933 -4.2933 -3.6346 -3.6346 -3.5235 -3.5235 1.2049 1.2049 1.5043 1.5043 4.5228 4.5228 4.5483 4.5483 4.6953 4.6953 4.7192 4.7192 5.3920 5.3920 5.4120 5.4120 5.8103 5.8103 5.8844 5.8844 6.1620 6.1620 6.2260 6.2260 6.3248 6.3248 6.3858 6.3858 7.3542 7.3542 7.3543 7.3543 7.8496 7.8496 8.0064 8.0064 9.5028 9.5028 9.5219 9.5219 10.6981 10.6981 10.7188 10.7188 11.0612 11.0612 k = 0.4130 0.4393 0.2552 ( 5632 PWs) bands (ev): -18.6589 -18.6589 -18.6580 -18.6580 -6.1546 -6.1546 -5.8645 -5.8645 -4.8231 -4.8231 -4.2829 -4.2829 -3.6433 -3.6433 -3.5234 -3.5234 1.2195 1.2195 1.5401 1.5401 4.5135 4.5135 4.5456 4.5456 4.6982 4.6982 4.7300 4.7300 5.4119 5.4119 5.4352 5.4352 5.8015 5.8015 5.8821 5.8821 6.1711 6.1711 6.2315 6.2315 6.3217 6.3217 6.3855 6.3855 7.3001 7.3001 7.3108 7.3108 7.8370 7.8370 7.9947 7.9947 9.5217 9.5217 9.5272 9.5272 10.6733 10.6733 10.6888 10.6888 11.0567 11.0567 k = 0.4058 0.4518 0.2552 ( 5626 PWs) bands (ev): -18.6586 -18.6586 -18.6576 -18.6576 -6.1628 -6.1628 -5.8529 -5.8529 -4.8489 -4.8489 -4.2737 -4.2737 -3.6515 -3.6515 -3.5233 -3.5233 1.2348 1.2348 1.5751 1.5751 4.5045 4.5045 4.5429 4.5429 4.7010 4.7010 4.7404 4.7404 5.4326 5.4326 5.4603 5.4603 5.7955 5.7955 5.8813 5.8813 6.1808 6.1808 6.2362 6.2362 6.3185 6.3185 6.3847 6.3847 7.2332 7.2332 7.2576 7.2576 7.8404 7.8404 7.9969 7.9969 9.5218 9.5218 9.5296 9.5296 10.6350 10.6350 10.6833 10.6833 11.0569 11.0569 k = 0.3986 0.4644 0.2552 ( 5626 PWs) bands (ev): -18.6582 -18.6582 -18.6572 -18.6572 -6.1704 -6.1704 -5.8420 -5.8420 -4.8732 -4.8732 -4.2658 -4.2658 -3.6593 -3.6593 -3.5234 -3.5234 1.2501 1.2501 1.6085 1.6085 4.4959 4.4959 4.5402 4.5402 4.7035 4.7035 4.7502 4.7502 5.4535 5.4535 5.4869 5.4869 5.7931 5.7931 5.8819 5.8819 6.1913 6.1913 6.2402 6.2402 6.3151 6.3151 6.3835 6.3835 7.1581 7.1581 7.1978 7.1978 7.8550 7.8550 8.0101 8.0101 9.5069 9.5069 9.5265 9.5265 10.6050 10.6050 10.6817 10.6817 11.0608 11.0608 k = 0.3913 0.4769 0.2552 ( 5636 PWs) bands (ev): -18.6579 -18.6579 -18.6568 -18.6568 -6.1774 -6.1774 -5.8319 -5.8319 -4.8959 -4.8959 -4.2591 -4.2591 -3.6664 -3.6664 -3.5235 -3.5235 1.2652 1.2652 1.6400 1.6400 4.4878 4.4878 4.5376 4.5376 4.7058 4.7058 4.7593 4.7593 5.4736 5.4736 5.5145 5.5145 5.7947 5.7947 5.8843 5.8843 6.2028 6.2028 6.2436 6.2436 6.3114 6.3114 6.3819 6.3819 7.0788 7.0788 7.1345 7.1345 7.8769 7.8769 8.0315 8.0315 9.4841 9.4841 9.5132 9.5132 10.5837 10.5837 10.6839 10.6839 11.0675 11.0675 k = 0.3841 0.4895 0.2552 ( 5626 PWs) bands (ev): -18.6576 -18.6576 -18.6564 -18.6564 -6.1838 -6.1838 -5.8228 -5.8228 -4.9166 -4.9166 -4.2534 -4.2534 -3.6727 -3.6727 -3.5236 -3.5236 1.2797 1.2797 1.6691 1.6691 4.4803 4.4803 4.5352 4.5352 4.7078 4.7078 4.7675 4.7675 5.4920 5.4920 5.5424 5.5424 5.8009 5.8009 5.8887 5.8887 6.2157 6.2157 6.2465 6.2465 6.3073 6.3073 6.3798 6.3798 6.9979 6.9979 7.0706 7.0706 7.9031 7.9031 8.0583 8.0583 9.4556 9.4556 9.4913 9.4913 10.5705 10.5705 10.6892 10.6892 11.0760 11.0760 k = 0.3768 0.5020 0.2552 ( 5626 PWs) bands (ev): -18.6573 -18.6573 -18.6561 -18.6561 -6.1894 -6.1894 -5.8147 -5.8147 -4.9351 -4.9351 -4.2489 -4.2489 -3.6783 -3.6783 -3.5238 -3.5238 1.2931 1.2931 1.6952 1.6952 4.4737 4.4737 4.5329 4.5329 4.7096 4.7096 4.7747 4.7747 5.5079 5.5079 5.5696 5.5696 5.8115 5.8115 5.8952 5.8952 6.2305 6.2305 6.2491 6.2491 6.3027 6.3027 6.3775 6.3775 6.9177 6.9177 7.0084 7.0084 7.9314 7.9314 8.0882 8.0882 9.4237 9.4237 9.4631 9.4631 10.5639 10.5639 10.6966 10.6966 11.0853 11.0853 k = 0.3696 0.5146 0.2552 ( 5628 PWs) bands (ev): -18.6570 -18.6570 -18.6558 -18.6558 -6.1943 -6.1943 -5.8077 -5.8077 -4.9512 -4.9512 -4.2453 -4.2453 -3.6830 -3.6830 -3.5240 -3.5239 1.3052 1.3052 1.7181 1.7181 4.4679 4.4679 4.5309 4.5309 4.7112 4.7112 4.7808 4.7808 5.5208 5.5208 5.5949 5.5949 5.8258 5.8258 5.9037 5.9037 6.2476 6.2476 6.2513 6.2513 6.2975 6.2975 6.3748 6.3748 6.8400 6.8400 6.9503 6.9503 7.9598 7.9598 8.1190 8.1190 9.3908 9.3908 9.4315 9.4315 10.5624 10.5624 10.7051 10.7051 11.0947 11.0947 k = 0.3623 0.5271 0.2552 ( 5628 PWs) bands (ev): -18.6567 -18.6567 -18.6555 -18.6555 -6.1985 -6.1985 -5.8020 -5.8020 -4.9646 -4.9646 -4.2426 -4.2426 -3.6869 -3.6869 -3.5241 -3.5241 1.3156 1.3156 1.7373 1.7373 4.4631 4.4631 4.5292 4.5292 4.7125 4.7125 4.7859 4.7859 5.5306 5.5306 5.6172 5.6172 5.8423 5.8423 5.9140 5.9140 6.2533 6.2533 6.2676 6.2676 6.2919 6.2919 6.3719 6.3719 6.7664 6.7664 6.8984 6.8984 7.9865 7.9865 8.1488 8.1488 9.3593 9.3593 9.3996 9.3996 10.5642 10.5642 10.7136 10.7136 11.1034 11.1034 k = 0.3551 0.5397 0.2552 ( 5620 PWs) bands (ev): -18.6565 -18.6565 -18.6553 -18.6553 -6.2018 -6.2018 -5.7976 -5.7976 -4.9752 -4.9752 -4.2407 -4.2407 -3.6898 -3.6898 -3.5242 -3.5242 1.3240 1.3240 1.7526 1.7526 4.4593 4.4593 4.5278 4.5278 4.7135 4.7135 4.7899 4.7899 5.5375 5.5375 5.6354 5.6354 5.8589 5.8589 5.9251 5.9251 6.2554 6.2554 6.2860 6.2860 6.2905 6.2905 6.3690 6.3690 6.6992 6.6992 6.8548 6.8548 8.0100 8.0100 8.1753 8.1753 9.3317 9.3317 9.3704 9.3704 10.5674 10.5674 10.7214 10.7214 11.1107 11.1107 k = 0.3478 0.5522 0.2552 ( 5618 PWs) bands (ev): -18.6564 -18.6564 -18.6551 -18.6551 -6.2042 -6.2042 -5.7945 -5.7945 -4.9829 -4.9829 -4.2394 -4.2394 -3.6919 -3.6919 -3.5243 -3.5243 1.3303 1.3303 1.7637 1.7637 4.4565 4.4565 4.5268 4.5268 4.7142 4.7142 4.7927 4.7927 5.5421 5.5421 5.6489 5.6489 5.8732 5.8732 5.9353 5.9353 6.2578 6.2578 6.2802 6.2802 6.3146 6.3146 6.3665 6.3665 6.6417 6.6417 6.8216 6.8216 8.0283 8.0283 8.1964 8.1964 9.3100 9.3100 9.3469 9.3469 10.5709 10.5709 10.7276 10.7276 11.1163 11.1163 k = 0.3406 0.5648 0.2552 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2056 -6.2056 -5.7927 -5.7927 -4.9875 -4.9875 -4.2388 -4.2388 -3.6931 -3.6931 -3.5243 -3.5243 1.3342 1.3342 1.7705 1.7705 4.4549 4.4549 4.5262 4.5262 4.7147 4.7147 4.7944 4.7944 5.5447 5.5447 5.6571 5.6571 5.8829 5.8829 5.9426 5.9426 6.2604 6.2604 6.2751 6.2751 6.3343 6.3343 6.3661 6.3661 6.5999 6.5999 6.8007 6.8007 8.0402 8.0402 8.2102 8.2102 9.2962 9.2962 9.3316 9.3316 10.5735 10.5735 10.7315 10.7315 11.1197 11.1197 k = 0.3333 0.5774 0.2552 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6935 -3.6935 -3.5243 -3.5243 1.3355 1.3355 1.7727 1.7727 4.4543 4.4543 4.5261 4.5261 4.7149 4.7149 4.7950 4.7950 5.5455 5.5455 5.6599 5.6599 5.8863 5.8863 5.9453 5.9453 6.2620 6.2620 6.2727 6.2727 6.3410 6.3410 6.3679 6.3679 6.5838 6.5838 6.7935 6.7935 8.0443 8.0443 8.2150 8.2150 9.2914 9.2914 9.3263 9.3263 10.5744 10.5744 10.7329 10.7329 11.1208 11.1208 k = 0.3333 0.5774 0.2552 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6935 -3.6935 -3.5243 -3.5243 1.3355 1.3355 1.7727 1.7727 4.4543 4.4543 4.5261 4.5261 4.7149 4.7149 4.7950 4.7950 5.5455 5.5455 5.6599 5.6599 5.8863 5.8863 5.9453 5.9453 6.2620 6.2620 6.2727 6.2727 6.3410 6.3410 6.3679 6.3679 6.5838 6.5838 6.7935 6.7935 8.0443 8.0443 8.2150 8.2150 9.2914 9.2914 9.3263 9.3263 10.5744 10.5744 10.7329 10.7329 11.1208 11.1208 k = 0.3259 0.5645 0.2552 ( 5618 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2056 -6.2056 -5.7927 -5.7927 -4.9874 -4.9874 -4.2388 -4.2388 -3.6931 -3.6931 -3.5243 -3.5243 1.3341 1.3341 1.7704 1.7704 4.4549 4.4549 4.5262 4.5262 4.7147 4.7147 4.7944 4.7944 5.5446 5.5446 5.6570 5.6570 5.8826 5.8826 5.9425 5.9425 6.2602 6.2602 6.2753 6.2753 6.3365 6.3365 6.3631 6.3631 6.6011 6.6011 6.8012 6.8012 8.0399 8.0399 8.2098 8.2098 9.2964 9.2964 9.3319 9.3319 10.5734 10.5734 10.7315 10.7315 11.1197 11.1197 k = 0.3185 0.5517 0.2552 ( 5626 PWs) bands (ev): -18.6564 -18.6564 -18.6551 -18.6551 -6.2040 -6.2040 -5.7942 -5.7942 -4.9828 -4.9828 -4.2392 -4.2392 -3.6920 -3.6920 -3.5243 -3.5243 1.3298 1.3298 1.7632 1.7632 4.4565 4.4565 4.5268 4.5268 4.7141 4.7141 4.7926 4.7926 5.5419 5.5419 5.6480 5.6480 5.8720 5.8720 5.9350 5.9350 6.2567 6.2567 6.2804 6.2804 6.3242 6.3242 6.3534 6.3534 6.6468 6.6468 6.8237 6.8237 8.0266 8.0266 8.1944 8.1944 9.3111 9.3111 9.3480 9.3480 10.5707 10.5707 10.7273 10.7273 11.1166 11.1166 k = 0.3111 0.5389 0.2552 ( 5628 PWs) bands (ev): -18.6566 -18.6566 -18.6554 -18.6554 -6.2011 -6.2011 -5.7966 -5.7966 -4.9751 -4.9751 -4.2397 -4.2397 -3.6902 -3.6902 -3.5242 -3.5242 1.3224 1.3224 1.7512 1.7512 4.4593 4.4593 4.5276 4.5276 4.7132 4.7132 4.7897 4.7897 5.5368 5.5368 5.6332 5.6332 5.8558 5.8558 5.9245 5.9245 6.2529 6.2529 6.2859 6.2859 6.3071 6.3071 6.3452 6.3452 6.7100 6.7100 6.8601 6.8601 8.0050 8.0050 8.1698 8.1698 9.3341 9.3341 9.3725 9.3725 10.5672 10.5672 10.7210 10.7210 11.1119 11.1119 k = 0.3037 0.5260 0.2552 ( 5632 PWs) bands (ev): -18.6569 -18.6569 -18.6557 -18.6557 -6.1972 -6.1972 -5.7996 -5.7996 -4.9646 -4.9646 -4.2402 -4.2402 -3.6878 -3.6878 -3.5242 -3.5242 1.3121 1.3121 1.7346 1.7346 4.4629 4.4629 4.5287 4.5287 4.7118 4.7118 4.7857 4.7857 5.5290 5.5290 5.6126 5.6126 5.8363 5.8363 5.9131 5.9131 6.2489 6.2489 6.2900 6.2900 6.2907 6.2907 6.3386 6.3386 6.7838 6.7838 6.9084 6.9084 7.9762 7.9762 8.1377 8.1377 9.3631 9.3631 9.4021 9.4021 10.5644 10.5644 10.7134 10.7134 11.1066 11.1066 k = 0.2963 0.5132 0.2552 ( 5620 PWs) bands (ev): -18.6573 -18.6573 -18.6560 -18.6560 -6.1919 -6.1919 -5.8030 -5.8030 -4.9514 -4.9514 -4.2407 -4.2407 -3.6848 -3.6848 -3.5241 -3.5241 1.2986 1.2986 1.7133 1.7133 4.4675 4.4675 4.5300 4.5300 4.7099 4.7099 4.7805 4.7805 5.5176 5.5176 5.5871 5.5871 5.8162 5.8162 5.9023 5.9023 6.2448 6.2448 6.2752 6.2752 6.2945 6.2945 6.3325 6.3325 6.8643 6.8643 6.9661 6.9661 7.9417 7.9417 8.0999 8.0999 9.3951 9.3951 9.4327 9.4327 10.5646 10.5646 10.7058 10.7058 11.1018 11.1018 k = 0.2889 0.5004 0.2552 ( 5620 PWs) bands (ev): -18.6577 -18.6577 -18.6565 -18.6565 -6.1855 -6.1855 -5.8065 -5.8065 -4.9358 -4.9358 -4.2409 -4.2409 -3.6814 -3.6814 -3.5241 -3.5241 1.2821 1.2821 1.6876 1.6876 4.4727 4.4727 4.5313 4.5313 4.7075 4.7075 4.7743 4.7743 5.5023 5.5023 5.5578 5.5578 5.7979 5.7979 5.8928 5.8928 6.2403 6.2403 6.2630 6.2630 6.2974 6.2974 6.3266 6.3266 6.9491 6.9491 7.0310 7.0310 7.9029 7.9029 8.0587 8.0587 9.4268 9.4268 9.4596 9.4596 10.5704 10.5704 10.6996 10.6996 11.0992 11.0992 k = 0.2815 0.4875 0.2552 ( 5620 PWs) bands (ev): -18.6583 -18.6583 -18.6571 -18.6571 -6.1777 -6.1777 -5.8099 -5.8099 -4.9178 -4.9178 -4.2409 -4.2409 -3.6776 -3.6776 -3.5241 -3.5241 1.2626 1.2626 1.6575 1.6575 4.4786 4.4786 4.5326 4.5326 4.7046 4.7046 4.7670 4.7670 5.4829 5.4829 5.5259 5.5259 5.7832 5.7832 5.8849 5.8849 6.2355 6.2355 6.2528 6.2528 6.2993 6.2993 6.3209 6.3209 7.0362 7.0362 7.1002 7.1002 7.8614 7.8614 8.0160 8.0160 9.4547 9.4547 9.4785 9.4785 10.5840 10.5840 10.6958 10.6958 11.1010 11.1010 k = 0.2741 0.4747 0.2552 ( 5616 PWs) bands (ev): -18.6590 -18.6590 -18.6578 -18.6578 -6.1687 -6.1687 -5.8132 -5.8132 -4.8978 -4.8978 -4.2405 -4.2405 -3.6735 -3.6735 -3.5241 -3.5241 1.2400 1.2400 1.6232 1.6232 4.4850 4.4850 4.5339 4.5339 4.7011 4.7011 4.7587 4.7587 5.4599 5.4599 5.4928 5.4928 5.7729 5.7729 5.8783 5.8783 6.2304 6.2304 6.2441 6.2441 6.3006 6.3006 6.3151 6.3151 7.1235 7.1235 7.1712 7.1712 7.8190 7.8190 7.9742 7.9742 9.4757 9.4757 9.4859 9.4859 10.6067 10.6067 10.6947 10.6947 11.1106 11.1106 k = 0.2667 0.4619 0.2552 ( 5616 PWs) bands (ev): -18.6597 -18.6597 -18.6586 -18.6586 -6.1584 -6.1584 -5.8159 -5.8159 -4.8758 -4.8758 -4.2397 -4.2397 -3.6690 -3.6690 -3.5241 -3.5241 1.2145 1.2145 1.5849 1.5849 4.4916 4.4916 4.5350 4.5350 4.6969 4.6969 4.7496 4.7496 5.4344 5.4344 5.4596 5.4596 5.7671 5.7671 5.8729 5.8729 6.2250 6.2250 6.2363 6.2363 6.3012 6.3012 6.3094 6.3094 7.2086 7.2086 7.2407 7.2407 7.7778 7.7778 7.9359 7.9359 9.4798 9.4798 9.4875 9.4875 10.6375 10.6375 10.6954 10.6954 11.1317 11.1317 k = 0.2593 0.4491 0.2552 ( 5616 PWs) bands (ev): -18.6606 -18.6606 -18.6595 -18.6595 -6.1468 -6.1468 -5.8181 -5.8181 -4.8520 -4.8520 -4.2385 -4.2385 -3.6644 -3.6644 -3.5242 -3.5242 1.1860 1.1860 1.5427 1.5427 4.4982 4.4982 4.5360 4.5360 4.6922 4.6922 4.7397 4.7397 5.4075 5.4075 5.4273 5.4273 5.7652 5.7652 5.8683 5.8683 6.2193 6.2193 6.2291 6.2291 6.3015 6.3015 6.3038 6.3038 7.2878 7.2878 7.3045 7.3045 7.7410 7.7410 7.9046 7.9046 9.4605 9.4605 9.4892 9.4892 10.6726 10.6726 10.6958 10.6958 11.1681 11.1681 k = 0.2519 0.4362 0.2552 ( 5616 PWs) bands (ev): -18.6615 -18.6615 -18.6605 -18.6605 -6.1339 -6.1339 -5.8197 -5.8197 -4.8266 -4.8266 -4.2366 -4.2366 -3.6595 -3.6595 -3.5243 -3.5243 1.1546 1.1546 1.4969 1.4969 4.5047 4.5047 4.5367 4.5367 4.6869 4.6869 4.7293 4.7293 5.3803 5.3803 5.3964 5.3964 5.7665 5.7665 5.8642 5.8642 6.2133 6.2133 6.2220 6.2220 6.2983 6.2983 6.3013 6.3013 7.3552 7.3552 7.3573 7.3573 7.7140 7.7140 7.8850 7.8850 9.4296 9.4296 9.4811 9.4811 10.6940 10.6940 10.7066 10.7066 11.2225 11.2225 k = 0.2444 0.4234 0.2552 ( 5616 PWs) bands (ev): -18.6626 -18.6626 -18.6616 -18.6616 -6.1198 -6.1198 -5.8204 -5.8204 -4.7996 -4.7996 -4.2342 -4.2342 -3.6545 -3.6545 -3.5245 -3.5245 1.1204 1.1204 1.4475 1.4475 4.5108 4.5108 4.5372 4.5372 4.6810 4.6810 4.7186 4.7186 5.3540 5.3540 5.3676 5.3676 5.7705 5.7705 5.8606 5.8606 6.2071 6.2071 6.2148 6.2148 6.2930 6.2930 6.3010 6.3010 7.3931 7.3931 7.4007 7.4007 7.7060 7.7060 7.8822 7.8822 9.3901 9.3901 9.4652 9.4652 10.6890 10.6890 10.7337 10.7337 11.2950 11.2950 k = 0.2370 0.4106 0.2552 ( 5612 PWs) bands (ev): -18.6637 -18.6637 -18.6628 -18.6628 -6.1044 -6.1044 -5.8202 -5.8202 -4.7713 -4.7713 -4.2311 -4.2311 -3.6495 -3.6495 -3.5247 -3.5247 1.0833 1.0833 1.3949 1.3949 4.5161 4.5161 4.5374 4.5374 4.6746 4.6746 4.7079 4.7079 5.3290 5.3290 5.3411 5.3411 5.7763 5.7763 5.8571 5.8571 6.2007 6.2007 6.2074 6.2074 6.2879 6.2879 6.3004 6.3004 7.4078 7.4078 7.4156 7.4156 7.7244 7.7244 7.8986 7.8986 9.3452 9.3452 9.4441 9.4441 10.6808 10.6808 10.7510 10.7510 11.3840 11.3840 k = 0.2296 0.3977 0.2552 ( 5610 PWs) bands (ev): -18.6650 -18.6650 -18.6641 -18.6641 -6.0879 -6.0879 -5.8191 -5.8191 -4.7416 -4.7416 -4.2272 -4.2272 -3.6443 -3.6443 -3.5250 -3.5250 1.0436 1.0436 1.3391 1.3391 4.5204 4.5204 4.5374 4.5374 4.6677 4.6677 4.6977 4.6977 5.3061 5.3061 5.3171 5.3171 5.7836 5.7836 5.8538 5.8538 6.1940 6.1940 6.1996 6.1996 6.2830 6.2830 6.2997 6.2997 7.4030 7.4030 7.4039 7.4039 7.7640 7.7640 7.9316 7.9316 9.2989 9.2989 9.4213 9.4213 10.6705 10.6705 10.7585 10.7585 11.4858 11.4858 k = 0.2222 0.3849 0.2552 ( 5608 PWs) bands (ev): -18.6663 -18.6663 -18.6655 -18.6655 -6.0703 -6.0703 -5.8170 -5.8170 -4.7107 -4.7107 -4.2226 -4.2226 -3.6392 -3.6392 -3.5254 -3.5254 1.0013 1.0013 1.2803 1.2803 4.5234 4.5234 4.5371 4.5371 4.6605 4.6605 4.6883 4.6883 5.2854 5.2854 5.2959 5.2959 5.7918 5.7918 5.8504 5.8504 6.1872 6.1872 6.1915 6.1915 6.2784 6.2784 6.2990 6.2990 7.3771 7.3771 7.3836 7.3836 7.8115 7.8115 7.9737 7.9737 9.2549 9.2549 9.4001 9.4001 10.6592 10.6592 10.7583 10.7583 11.5958 11.5958 k = 0.2148 0.3721 0.2552 ( 5616 PWs) bands (ev): -18.6677 -18.6677 -18.6670 -18.6670 -6.0516 -6.0516 -5.8139 -5.8139 -4.6787 -4.6787 -4.2172 -4.2172 -3.6340 -3.6340 -3.5258 -3.5258 0.9564 0.9564 1.2188 1.2188 4.5249 4.5249 4.5366 4.5366 4.6530 4.6530 4.6800 4.6800 5.2671 5.2671 5.2773 5.2773 5.8005 5.8005 5.8470 5.8470 6.1801 6.1801 6.1830 6.1830 6.2740 6.2740 6.2982 6.2982 7.3436 7.3436 7.3553 7.3553 7.8568 7.8568 8.0169 8.0169 9.2172 9.2172 9.3839 9.3839 10.6483 10.6483 10.7535 10.7535 11.7085 11.7085 k = 0.2074 0.3592 0.2552 ( 5622 PWs) bands (ev): -18.6692 -18.6692 -18.6685 -18.6685 -6.0320 -6.0320 -5.8099 -5.8099 -4.6456 -4.6456 -4.2109 -4.2109 -3.6288 -3.6288 -3.5263 -3.5263 0.9090 0.9090 1.1548 1.1548 4.5246 4.5246 4.5361 4.5361 4.6454 4.6454 4.6731 4.6731 5.2513 5.2513 5.2613 5.2613 5.8092 5.8092 5.8435 5.8435 6.1727 6.1727 6.1743 6.1743 6.2700 6.2700 6.2975 6.2975 7.3079 7.3079 7.3221 7.3221 7.8941 7.8941 8.0544 8.0544 9.1898 9.1898 9.3755 9.3755 10.6390 10.6390 10.7464 10.7464 11.8172 11.8172 k = 0.2000 0.3464 0.2552 ( 5632 PWs) bands (ev): -18.6708 -18.6708 -18.6701 -18.6701 -6.0115 -6.0115 -5.8049 -5.8049 -4.6115 -4.6115 -4.2036 -4.2036 -3.6237 -3.6237 -3.5268 -3.5268 0.8593 0.8593 1.0884 1.0884 4.5228 4.5228 4.5355 4.5355 4.6377 4.6377 4.6676 4.6676 5.2380 5.2380 5.2479 5.2479 5.8176 5.8176 5.8397 5.8397 6.1650 6.1650 6.1653 6.1653 6.2662 6.2662 6.2968 6.2968 7.2721 7.2721 7.2869 7.2869 7.9199 7.9199 8.0807 8.0807 9.1762 9.1762 9.3770 9.3770 10.6324 10.6324 10.7393 10.7393 11.9143 11.9143 k = 0.1926 0.3336 0.2552 ( 5632 PWs) bands (ev): -18.6724 -18.6724 -18.6718 -18.6718 -5.9902 -5.9902 -5.7990 -5.7990 -4.5764 -4.5764 -4.1954 -4.1954 -3.6187 -3.6187 -3.5274 -3.5274 0.8074 0.8074 1.0199 1.0199 4.5195 4.5195 4.5349 4.5349 4.6300 4.6300 4.6635 4.6635 5.2271 5.2271 5.2369 5.2369 5.8251 5.8251 5.8357 5.8357 6.1562 6.1562 6.1570 6.1570 6.2627 6.2627 6.2962 6.2962 7.2376 7.2376 7.2513 7.2513 7.9328 7.9328 8.0925 8.0925 9.1784 9.1784 9.3892 9.3892 10.6297 10.6297 10.7339 10.7339 11.9937 11.9937 k = 0.1852 0.3208 0.2552 ( 5620 PWs) bands (ev): -18.6741 -18.6741 -18.6735 -18.6735 -5.9683 -5.9683 -5.7922 -5.7922 -4.5405 -4.5405 -4.1862 -4.1862 -3.6137 -3.6137 -3.5280 -3.5280 0.7534 0.7534 0.9494 0.9494 4.5153 4.5153 4.5344 4.5344 4.6223 4.6223 4.6604 4.6604 5.2186 5.2186 5.2283 5.2283 5.8314 5.8314 5.8315 5.8315 6.1470 6.1470 6.1485 6.1485 6.2595 6.2595 6.2956 6.2956 7.2050 7.2050 7.2164 7.2164 7.9328 7.9328 8.0889 8.0889 9.1966 9.1966 9.4114 9.4114 10.6320 10.6320 10.7317 10.7317 12.0530 12.0530 k = 0.1778 0.3079 0.2552 ( 5620 PWs) bands (ev): -18.6758 -18.6758 -18.6753 -18.6753 -5.9458 -5.9458 -5.7846 -5.7846 -4.5038 -4.5038 -4.1759 -4.1759 -3.6088 -3.6088 -3.5287 -3.5287 0.6974 0.6974 0.8774 0.8774 4.5104 4.5104 4.5341 4.5341 4.6148 4.6148 4.6579 4.6579 5.2123 5.2123 5.2219 5.2219 5.8270 5.8270 5.8362 5.8362 6.1379 6.1379 6.1395 6.1395 6.2567 6.2567 6.2950 6.2950 7.1749 7.1749 7.1833 7.1833 7.9210 7.9210 8.0710 8.0710 9.2288 9.2288 9.4420 9.4420 10.6408 10.6408 10.7339 10.7339 12.0944 12.0944 k = 0.1704 0.2951 0.2552 ( 5628 PWs) bands (ev): -18.6776 -18.6776 -18.6771 -18.6771 -5.9230 -5.9230 -5.7763 -5.7763 -4.4664 -4.4664 -4.1646 -4.1646 -3.6040 -3.6040 -3.5294 -3.5294 0.6396 0.6396 0.8039 0.8039 4.5054 4.5054 4.5341 4.5341 4.6074 4.6074 4.6558 4.6558 5.2082 5.2082 5.2175 5.2175 5.8223 5.8223 5.8389 5.8389 6.1289 6.1289 6.1299 6.1299 6.2541 6.2541 6.2943 6.2943 7.1479 7.1479 7.1525 7.1525 7.8993 7.8993 8.0413 8.0413 9.2714 9.2714 9.4781 9.4781 10.6573 10.6573 10.7420 10.7420 12.1217 12.1217 k = 0.1630 0.2823 0.2552 ( 5636 PWs) bands (ev): -18.6793 -18.6793 -18.6790 -18.6790 -5.8999 -5.8999 -5.7673 -5.7673 -4.4283 -4.4283 -4.1521 -4.1521 -3.5993 -3.5993 -3.5302 -3.5302 0.5803 0.5803 0.7293 0.7293 4.5005 4.5005 4.5343 4.5343 4.6003 4.6003 4.6537 4.6537 5.2060 5.2060 5.2152 5.2152 5.8172 5.8172 5.8396 5.8396 6.1198 6.1198 6.1200 6.1200 6.2519 6.2519 6.2934 6.2934 7.1241 7.1241 7.1245 7.1245 7.8698 7.8698 8.0030 8.0030 9.3203 9.3203 9.5164 9.5164 10.6830 10.6830 10.7572 10.7572 12.1390 12.1390 k = 0.1556 0.2694 0.2552 ( 5628 PWs) bands (ev): -18.6812 -18.6812 -18.6808 -18.6808 -5.8767 -5.8767 -5.7577 -5.7577 -4.3897 -4.3897 -4.1385 -4.1385 -3.5948 -3.5948 -3.5310 -3.5310 0.5195 0.5195 0.6538 0.6538 4.4961 4.4961 4.5348 4.5348 4.5934 4.5934 4.6514 4.6514 5.2058 5.2058 5.2147 5.2147 5.8119 5.8119 5.8379 5.8379 6.1091 6.1091 6.1112 6.1112 6.2499 6.2499 6.2921 6.2921 7.0998 7.0998 7.1038 7.1038 7.8347 7.8347 7.9589 7.9589 9.3714 9.3714 9.5539 9.5539 10.7191 10.7191 10.7808 10.7808 12.1493 12.1493 k = 0.1481 0.2566 0.2552 ( 5628 PWs) bands (ev): -18.6830 -18.6830 -18.6827 -18.6827 -5.8536 -5.8536 -5.7476 -5.7476 -4.3507 -4.3507 -4.1237 -4.1237 -3.5903 -3.5903 -3.5317 -3.5317 0.4576 0.4576 0.5777 0.5777 4.4924 4.4924 4.5354 4.5354 4.5869 4.5869 4.6486 4.6486 5.2075 5.2075 5.2160 5.2160 5.8063 5.8063 5.8341 5.8341 6.0977 6.0977 6.1023 6.1023 6.2480 6.2480 6.2902 6.2902 7.0787 7.0787 7.0872 7.0872 7.7961 7.7961 7.9116 7.9116 9.4213 9.4213 9.5878 9.5878 10.7666 10.7666 10.8138 10.8138 12.1546 12.1547 k = 0.1407 0.2438 0.2552 ( 5628 PWs) bands (ev): -18.6848 -18.6848 -18.6845 -18.6845 -5.8307 -5.8307 -5.7372 -5.7372 -4.3113 -4.3113 -4.1078 -4.1078 -3.5859 -3.5859 -3.5325 -3.5325 0.3948 0.3948 0.5014 0.5014 4.4894 4.4894 4.5361 4.5361 4.5808 4.5808 4.6454 4.6454 5.2108 5.2108 5.2189 5.2189 5.8004 5.8004 5.8282 5.8282 6.0859 6.0859 6.0932 6.0932 6.2461 6.2461 6.2876 6.2876 7.0615 7.0615 7.0743 7.0743 7.7556 7.7556 7.8629 7.8629 9.4670 9.4670 9.6159 9.6159 10.8260 10.8260 10.8572 10.8572 12.1568 12.1568 k = 0.1333 0.2309 0.2552 ( 5620 PWs) bands (ev): -18.6866 -18.6866 -18.6864 -18.6864 -5.8081 -5.8081 -5.7264 -5.7264 -4.2717 -4.2717 -4.0908 -4.0908 -3.5817 -3.5817 -3.5332 -3.5332 0.3314 0.3314 0.4252 0.4252 4.4872 4.4872 4.5366 4.5366 4.5754 4.5754 4.6417 4.6417 5.2157 5.2157 5.2234 5.2234 5.7942 5.7942 5.8205 5.8205 6.0736 6.0736 6.0839 6.0839 6.2439 6.2439 6.2840 6.2840 7.0482 7.0482 7.0651 7.0651 7.7147 7.7147 7.8142 7.8142 9.5065 9.5065 9.6370 9.6370 10.8969 10.8969 10.9115 10.9115 12.1571 12.1571 k = 0.1259 0.2181 0.2552 ( 5628 PWs) bands (ev): -18.6884 -18.6884 -18.6882 -18.6882 -5.7861 -5.7861 -5.7155 -5.7155 -4.2321 -4.2321 -4.0727 -4.0727 -3.5775 -3.5775 -3.5339 -3.5339 0.2676 0.2676 0.3494 0.3494 4.4858 4.4858 4.5367 4.5367 4.5710 4.5710 4.6374 4.6374 5.2222 5.2222 5.2292 5.2292 5.7878 5.7878 5.8114 5.8114 6.0611 6.0611 6.0743 6.0743 6.2412 6.2412 6.2794 6.2794 7.0389 7.0389 7.0594 7.0594 7.6746 7.6746 7.7667 7.7667 9.5384 9.5384 9.6508 9.6508 10.9765 10.9765 10.9787 10.9787 12.1564 12.1564 k = 0.1185 0.2053 0.2552 ( 5616 PWs) bands (ev): -18.6901 -18.6901 -18.6899 -18.6899 -5.7648 -5.7648 -5.7045 -5.7045 -4.1926 -4.1926 -4.0537 -4.0537 -3.5735 -3.5735 -3.5346 -3.5346 0.2039 0.2039 0.2745 0.2745 4.4851 4.4851 4.5358 4.5358 4.5679 4.5679 4.6326 4.6326 5.2299 5.2299 5.2363 5.2363 5.7813 5.7813 5.8013 5.8013 6.0483 6.0483 6.0642 6.0642 6.2378 6.2378 6.2735 6.2735 7.0335 7.0335 7.0569 7.0569 7.6362 7.6362 7.7213 7.7213 9.5622 9.5622 9.6573 9.6573 11.0517 11.0517 11.0699 11.0699 12.1557 12.1557 k = 0.1111 0.1925 0.2552 ( 5620 PWs) bands (ev): -18.6918 -18.6918 -18.6917 -18.6917 -5.7443 -5.7443 -5.6934 -5.6934 -4.1534 -4.1534 -4.0338 -4.0338 -3.5695 -3.5695 -3.5352 -3.5352 0.1406 0.1406 0.2007 0.2007 4.4851 4.4851 4.5338 4.5338 4.5663 4.5663 4.6275 4.6275 5.2389 5.2389 5.2446 5.2446 5.7748 5.7748 5.7907 5.7907 6.0356 6.0356 6.0537 6.0537 6.2336 6.2336 6.2664 6.2664 7.0317 7.0317 7.0573 7.0573 7.6003 7.6003 7.6785 7.6785 9.5780 9.5780 9.6571 9.6571 11.1361 11.1361 11.1689 11.1689 12.1557 12.1557 k = 0.1037 0.1796 0.2552 ( 5612 PWs) bands (ev): -18.6935 -18.6935 -18.6934 -18.6934 -5.7248 -5.7248 -5.6825 -5.6825 -4.1148 -4.1148 -4.0132 -4.0132 -3.5656 -3.5656 -3.5356 -3.5356 0.0780 0.0780 0.1285 0.1285 4.4856 4.4856 4.5307 4.5307 4.5662 4.5662 4.6221 4.6221 5.2489 5.2489 5.2537 5.2537 5.7683 5.7683 5.7801 5.7801 6.0230 6.0230 6.0428 6.0428 6.2284 6.2284 6.2580 6.2580 7.0330 7.0330 7.0600 7.0600 7.5677 7.5677 7.6388 7.6388 9.5862 9.5862 9.6511 9.6511 11.2281 11.2281 11.2740 11.2740 12.1572 12.1572 k = 0.0963 0.1668 0.2552 ( 5612 PWs) bands (ev): -18.6951 -18.6951 -18.6950 -18.6950 -5.7063 -5.7063 -5.6718 -5.6718 -4.0771 -4.0771 -3.9920 -3.9920 -3.5618 -3.5618 -3.5360 -3.5360 0.0166 0.0166 0.0584 0.0584 4.4865 4.4865 4.5268 4.5268 4.5671 4.5671 4.6166 4.6166 5.2596 5.2596 5.2636 5.2636 5.7620 5.7620 5.7698 5.7698 6.0107 6.0107 6.0315 6.0315 6.2221 6.2221 6.2484 6.2484 7.0371 7.0371 7.0643 7.0643 7.5388 7.5388 7.6028 7.6028 9.5877 9.5877 9.6400 9.6400 11.3261 11.3261 11.3833 11.3833 12.1607 12.1607 k = 0.0889 0.1540 0.2552 ( 5612 PWs) bands (ev): -18.6966 -18.6966 -18.6965 -18.6965 -5.6890 -5.6890 -5.6614 -5.6614 -4.0404 -4.0404 -3.9705 -3.9705 -3.5580 -3.5580 -3.5362 -3.5362 -0.0431 -0.0431 -0.0093 -0.0093 4.4877 4.4877 4.5226 4.5226 4.5686 4.5686 4.6110 4.6110 5.2709 5.2709 5.2741 5.2741 5.7562 5.7562 5.7603 5.7603 5.9988 5.9988 6.0198 6.0198 6.2149 6.2149 6.2378 6.2378 7.0431 7.0431 7.0697 7.0697 7.5141 7.5141 7.5707 7.5707 9.5832 9.5832 9.6248 9.6248 11.4282 11.4282 11.4946 11.4946 12.1668 12.1668 k = 0.0815 0.1411 0.2552 ( 5610 PWs) bands (ev): -18.6980 -18.6980 -18.6979 -18.6979 -5.6730 -5.6730 -5.6513 -5.6513 -4.0052 -4.0052 -3.9490 -3.9490 -3.5543 -3.5543 -3.5363 -3.5363 -0.1008 -0.1008 -0.0739 -0.0739 4.4891 4.4891 4.5182 4.5182 4.5703 4.5703 4.6056 4.6056 5.2824 5.2824 5.2848 5.2848 5.7510 5.7510 5.7520 5.7520 5.9874 5.9874 6.0078 6.0078 6.2067 6.2067 6.2263 6.2263 7.0506 7.0506 7.0754 7.0754 7.4939 7.4939 7.5428 7.5428 9.5740 9.5740 9.6064 9.6064 11.5323 11.5323 11.6058 11.6058 12.1761 12.1761 k = 0.0741 0.1283 0.2552 ( 5614 PWs) bands (ev): -18.6993 -18.6993 -18.6993 -18.6993 -5.6583 -5.6583 -5.6418 -5.6418 -3.9717 -3.9717 -3.9277 -3.9277 -3.5507 -3.5507 -3.5361 -3.5361 -0.1560 -0.1560 -0.1352 -0.1352 4.4904 4.4904 4.5139 4.5139 4.5722 4.5722 4.6005 4.6005 5.2939 5.2939 5.2955 5.2955 5.7453 5.7453 5.7466 5.7466 5.9764 5.9764 5.9955 5.9955 6.1978 6.1978 6.2141 6.2141 7.0587 7.0587 7.0809 7.0809 7.4783 7.4783 7.5193 7.5193 9.5608 9.5608 9.5855 9.5855 11.6363 11.6363 11.7142 11.7142 12.1892 12.1892 k = 0.0667 0.1155 0.2552 ( 5618 PWs) bands (ev): -18.7006 -18.7006 -18.7005 -18.7005 -5.6450 -5.6450 -5.6328 -5.6328 -3.9403 -3.9403 -3.9069 -3.9069 -3.5471 -3.5471 -3.5358 -3.5358 -0.2081 -0.2081 -0.1925 -0.1925 4.4917 4.4917 4.5098 4.5098 4.5740 4.5740 4.5958 4.5958 5.3050 5.3050 5.3061 5.3061 5.7404 5.7404 5.7434 5.7434 5.9659 5.9659 5.9830 5.9830 6.1884 6.1884 6.2015 6.2015 7.0668 7.0668 7.0855 7.0855 7.4673 7.4673 7.5004 7.5004 9.5449 9.5449 9.5632 9.5632 11.7378 11.7378 11.8169 11.8170 12.2070 12.2070 k = 0.0593 0.1026 0.2552 ( 5632 PWs) bands (ev): -18.7017 -18.7017 -18.7017 -18.7017 -5.6331 -5.6331 -5.6244 -5.6244 -3.9114 -3.9114 -3.8869 -3.8869 -3.5437 -3.5437 -3.5352 -3.5352 -0.2566 -0.2566 -0.2454 -0.2454 4.4927 4.4927 4.5061 4.5061 4.5756 4.5756 4.5916 4.5916 5.3155 5.3155 5.3160 5.3160 5.7377 5.7377 5.7415 5.7415 5.9558 5.9558 5.9705 5.9705 6.1786 6.1786 6.1888 6.1888 7.0742 7.0742 7.0891 7.0891 7.4605 7.4605 7.4859 7.4859 9.5271 9.5271 9.5402 9.5402 11.8343 11.8343 11.9105 11.9105 12.2302 12.2302 k = 0.0519 0.0898 0.2552 ( 5640 PWs) bands (ev): -18.7027 -18.7027 -18.7027 -18.7027 -5.6227 -5.6227 -5.6168 -5.6168 -3.8852 -3.8852 -3.8682 -3.8682 -3.5404 -3.5404 -3.5343 -3.5343 -0.3011 -0.3011 -0.2934 -0.2934 4.4934 4.4934 4.5027 4.5027 4.5769 4.5769 4.5881 4.5881 5.3251 5.3251 5.3253 5.3253 5.7370 5.7370 5.7410 5.7410 5.9460 5.9460 5.9579 5.9579 6.1689 6.1689 6.1764 6.1764 7.0806 7.0806 7.0916 7.0916 7.4574 7.4574 7.4757 7.4757 9.5084 9.5084 9.5173 9.5173 11.9235 11.9235 11.9913 11.9913 12.2592 12.2592 k = 0.0444 0.0770 0.2552 ( 5636 PWs) bands (ev): -18.7036 -18.7036 -18.7036 -18.7036 -5.6137 -5.6137 -5.6099 -5.6099 -3.8621 -3.8621 -3.8510 -3.8510 -3.5373 -3.5373 -3.5333 -3.5333 -0.3410 -0.3410 -0.3360 -0.3360 4.4937 4.4937 4.4998 4.4998 4.5781 4.5781 4.5853 4.5853 5.3335 5.3335 5.3335 5.3335 5.7384 5.7384 5.7420 5.7420 5.9366 5.9366 5.9455 5.9455 6.1595 6.1595 6.1647 6.1647 7.0855 7.0855 7.0930 7.0930 7.4570 7.4570 7.4693 7.4693 9.4898 9.4898 9.4955 9.4955 12.0030 12.0030 12.0572 12.0572 12.2928 12.2928 k = 0.0370 0.0642 0.2552 ( 5644 PWs) bands (ev): -18.7044 -18.7044 -18.7044 -18.7044 -5.6062 -5.6062 -5.6040 -5.6040 -3.8423 -3.8423 -3.8358 -3.8358 -3.5345 -3.5345 -3.5321 -3.5321 -0.3758 -0.3758 -0.3729 -0.3729 4.4937 4.4937 4.4973 4.4973 4.5789 4.5789 4.5832 4.5832 5.3406 5.3406 5.3406 5.3406 5.7415 5.7415 5.7443 5.7443 5.9275 5.9275 5.9336 5.9336 6.1508 6.1508 6.1540 6.1540 7.0890 7.0890 7.0936 7.0936 7.4586 7.4586 7.4661 7.4661 9.4721 9.4721 9.4755 9.4755 12.0709 12.0709 12.1085 12.1085 12.3275 12.3275 k = 0.0296 0.0513 0.2552 ( 5644 PWs) bands (ev): -18.7050 -18.7050 -18.7050 -18.7050 -5.6001 -5.6001 -5.5990 -5.5990 -3.8261 -3.8261 -3.8227 -3.8227 -3.5321 -3.5321 -3.5308 -3.5308 -0.4051 -0.4051 -0.4036 -0.4036 4.4935 4.4935 4.4954 4.4954 4.5795 4.5795 4.5817 4.5817 5.3464 5.3464 5.3465 5.3465 5.7459 5.7459 5.7478 5.7478 5.9189 5.9189 5.9225 5.9225 6.1430 6.1430 6.1448 6.1448 7.0913 7.0913 7.0937 7.0937 7.4613 7.4613 7.4652 7.4652 9.4562 9.4562 9.4580 9.4580 12.1261 12.1261 12.1479 12.1479 12.3585 12.3585 k = 0.0222 0.0385 0.2552 ( 5648 PWs) bands (ev): -18.7055 -18.7055 -18.7055 -18.7055 -5.5954 -5.5954 -5.5949 -5.5949 -3.8136 -3.8136 -3.8121 -3.8121 -3.5301 -3.5301 -3.5295 -3.5295 -0.4284 -0.4284 -0.4277 -0.4277 4.4931 4.4931 4.4939 4.4939 4.5798 4.5798 4.5808 4.5808 5.3509 5.3509 5.3509 5.3509 5.7508 5.7508 5.7518 5.7518 5.9110 5.9110 5.9128 5.9128 6.1365 6.1365 6.1373 6.1373 7.0925 7.0925 7.0936 7.0936 7.4641 7.4641 7.4659 7.4659 9.4430 9.4430 9.4437 9.4437 12.1680 12.1680 12.1780 12.1780 12.3824 12.3824 k = 0.0148 0.0257 0.2552 ( 5640 PWs) bands (ev): -18.7059 -18.7059 -18.7059 -18.7059 -5.5921 -5.5921 -5.5920 -5.5920 -3.8047 -3.8047 -3.8042 -3.8042 -3.5286 -3.5286 -3.5285 -3.5285 -0.4453 -0.4453 -0.4451 -0.4451 4.4927 4.4927 4.4929 4.4929 4.5800 4.5800 4.5803 4.5803 5.3541 5.3541 5.3541 5.3541 5.7553 5.7553 5.7557 5.7557 5.9044 5.9044 5.9050 5.9050 6.1316 6.1316 6.1319 6.1319 7.0931 7.0931 7.0934 7.0934 7.4666 7.4666 7.4671 7.4671 9.4329 9.4329 9.4331 9.4331 12.1970 12.1970 12.2001 12.2001 12.3985 12.3985 k = 0.0074 0.0128 0.2552 ( 5636 PWs) bands (ev): -18.7061 -18.7061 -18.7061 -18.7061 -5.5902 -5.5902 -5.5902 -5.5902 -3.7994 -3.7994 -3.7994 -3.7994 -3.5278 -3.5278 -3.5277 -3.5277 -0.4557 -0.4557 -0.4556 -0.4556 4.4923 4.4923 4.4923 4.4923 4.5800 4.5800 4.5801 4.5801 5.3560 5.3560 5.3560 5.3560 5.7585 5.7585 5.7586 5.7586 5.9000 5.9000 5.9001 5.9001 6.1286 6.1286 6.1286 6.1286 7.0932 7.0932 7.0933 7.0933 7.4682 7.4682 7.4682 7.4682 9.4267 9.4267 9.4267 9.4267 12.2136 12.2136 12.2140 12.2140 12.4079 12.4079 k = 0.0000 0.0000 0.2552 ( 5628 PWs) bands (ev): -18.7062 -18.7062 -18.7062 -18.7062 -5.5896 -5.5896 -5.5896 -5.5896 -3.7977 -3.7977 -3.7977 -3.7977 -3.5275 -3.5275 -3.5275 -3.5275 -0.4591 -0.4591 -0.4591 -0.4591 4.4922 4.4922 4.4922 4.4922 4.5800 4.5800 4.5800 4.5800 5.3566 5.3566 5.3566 5.3566 5.7597 5.7597 5.7597 5.7597 5.8983 5.8983 5.8983 5.8983 6.1275 6.1275 6.1275 6.1275 7.0932 7.0932 7.0932 7.0932 7.4687 7.4687 7.4687 7.4687 9.4245 9.4245 9.4245 9.4245 12.2189 12.2189 12.2189 12.2189 12.4111 12.4111 k = 0.5000 0.2887 0.2552 ( 5648 PWs) bands (ev): -18.6613 -18.6613 -18.6613 -18.6613 -6.0224 -6.0224 -6.0224 -6.0224 -4.4916 -4.4916 -4.4916 -4.4916 -3.5476 -3.5476 -3.5476 -3.5476 1.1828 1.1828 1.1828 1.1828 4.5814 4.5814 4.5814 4.5814 4.6507 4.6507 4.6507 4.6507 5.2915 5.2915 5.2915 5.2915 5.9340 5.9340 5.9340 5.9340 6.1251 6.1251 6.1251 6.1251 6.3617 6.3617 6.3617 6.3617 7.3857 7.3857 7.3857 7.3857 8.6205 8.6205 8.6205 8.6205 8.9801 8.9801 8.9801 8.9801 10.8806 10.8806 10.8806 10.8806 11.2417 11.2417 k = 0.5000 0.2887 0.2402 ( 5652 PWs) bands (ev): -18.6613 -18.6613 -18.6613 -18.6613 -6.0230 -6.0230 -6.0217 -6.0217 -4.4919 -4.4919 -4.4912 -4.4912 -3.5485 -3.5485 -3.5468 -3.5468 1.1812 1.1812 1.1843 1.1843 4.5647 4.5647 4.5963 4.5963 4.6480 4.6480 4.6552 4.6552 5.2711 5.2711 5.3130 5.3130 5.9234 5.9234 5.9470 5.9470 6.1191 6.1191 6.1312 6.1312 6.3598 6.3598 6.3639 6.3639 7.3372 7.3372 7.4270 7.4270 8.5667 8.5667 8.6800 8.6800 8.9569 8.9569 9.0056 9.0056 10.8137 10.8137 10.9436 10.9436 11.2081 11.2081 k = 0.5000 0.2887 0.2252 ( 5652 PWs) bands (ev): -18.6614 -18.6614 -18.6612 -18.6612 -6.0236 -6.0236 -6.0211 -6.0211 -4.4922 -4.4922 -4.4909 -4.4909 -3.5494 -3.5494 -3.5460 -3.5460 1.1796 1.1796 1.1858 1.1858 4.5474 4.5474 4.6080 4.6080 4.6466 4.6466 4.6627 4.6627 5.2521 5.2521 5.3353 5.3353 5.9152 5.9152 5.9622 5.9622 6.1135 6.1135 6.1376 6.1376 6.3582 6.3582 6.3664 6.3664 7.2835 7.2835 7.4591 7.4591 8.5219 8.5219 8.7422 8.7422 8.9358 8.9358 9.0336 9.0336 10.7457 10.7457 10.9964 10.9964 11.1721 11.1721 k = 0.5000 0.2887 0.2102 ( 5632 PWs) bands (ev): -18.6614 -18.6614 -18.6612 -18.6612 -6.0241 -6.0241 -6.0205 -6.0205 -4.4925 -4.4925 -4.4906 -4.4906 -3.5503 -3.5503 -3.5452 -3.5452 1.1780 1.1780 1.1871 1.1871 4.5300 4.5300 4.6154 4.6154 4.6462 4.6462 4.6737 4.6737 5.2345 5.2345 5.3582 5.3582 5.9098 5.9098 5.9797 5.9797 6.1082 6.1082 6.1442 6.1442 6.3570 6.3570 6.3691 6.3691 7.2258 7.2258 7.4797 7.4797 8.4891 8.4891 8.8037 8.8037 8.9174 8.9174 9.0649 9.0649 10.6778 10.6778 11.0170 11.0170 11.1454 11.1454 k = 0.5000 0.2887 0.1952 ( 5622 PWs) bands (ev): -18.6615 -18.6615 -18.6611 -18.6611 -6.0247 -6.0247 -6.0199 -6.0199 -4.4928 -4.4928 -4.4902 -4.4902 -3.5512 -3.5512 -3.5444 -3.5444 1.1763 1.1763 1.1884 1.1884 4.5131 4.5131 4.6191 4.6191 4.6464 4.6464 4.6876 4.6876 5.2186 5.2186 5.3813 5.3813 5.9071 5.9071 5.9991 5.9991 6.1033 6.1033 6.1511 6.1511 6.3560 6.3560 6.3721 6.3721 7.1653 7.1653 7.4867 7.4867 8.4708 8.4708 8.8565 8.8565 8.9069 8.9069 9.1005 9.1005 10.6110 10.6110 10.9686 10.9686 11.1567 11.1567 k = 0.5000 0.2887 0.1802 ( 5628 PWs) bands (ev): -18.6615 -18.6615 -18.6611 -18.6611 -6.0252 -6.0252 -6.0194 -6.0194 -4.4931 -4.4931 -4.4899 -4.4899 -3.5521 -3.5521 -3.5437 -3.5437 1.1746 1.1746 1.1896 1.1896 4.4969 4.4969 4.6203 4.6203 4.6469 4.6469 4.7030 4.7030 5.2045 5.2045 5.4042 5.4042 5.9074 5.9074 6.0203 6.0203 6.0988 6.0988 6.1583 6.1583 6.3554 6.3554 6.3754 6.3754 7.1028 7.1028 7.4793 7.4793 8.4686 8.4686 8.8682 8.8682 8.9342 8.9342 9.1411 9.1411 10.5459 10.5459 10.8739 10.8739 11.1835 11.1835 k = 0.5000 0.2887 0.1651 ( 5620 PWs) bands (ev): -18.6615 -18.6615 -18.6611 -18.6611 -6.0257 -6.0257 -6.0188 -6.0188 -4.4934 -4.4934 -4.4896 -4.4896 -3.5529 -3.5529 -3.5430 -3.5430 1.1730 1.1730 1.1906 1.1906 4.4815 4.4815 4.6202 4.6202 4.6476 4.6476 4.7186 4.7186 5.1921 5.1921 5.4265 5.4265 5.9109 5.9109 6.0431 6.0431 6.0950 6.0950 6.1660 6.1660 6.3551 6.3551 6.3791 6.3791 7.0390 7.0390 7.4582 7.4582 8.4823 8.4823 8.8564 8.8564 8.9803 8.9803 9.1871 9.1871 10.4830 10.4830 10.7600 10.7600 11.2042 11.2042 k = 0.5000 0.2887 0.1501 ( 5634 PWs) bands (ev): -18.6616 -18.6616 -18.6610 -18.6610 -6.0262 -6.0262 -6.0183 -6.0183 -4.4936 -4.4936 -4.4893 -4.4893 -3.5537 -3.5537 -3.5424 -3.5424 1.1714 1.1714 1.1916 1.1916 4.4672 4.4672 4.6194 4.6194 4.6483 4.6483 4.7337 4.7337 5.1814 5.1814 5.4477 5.4477 5.9175 5.9175 6.0669 6.0669 6.0919 6.0919 6.1744 6.1744 6.3551 6.3551 6.3831 6.3831 6.9744 6.9744 7.4251 7.4251 8.5104 8.5104 8.8428 8.8428 9.0232 9.0232 9.2374 9.2374 10.4226 10.4226 10.6381 10.6381 11.2129 11.2129 k = 0.5000 0.2887 0.1351 ( 5634 PWs) bands (ev): -18.6616 -18.6616 -18.6610 -18.6610 -6.0267 -6.0267 -6.0178 -6.0178 -4.4938 -4.4938 -4.4890 -4.4890 -3.5545 -3.5545 -3.5419 -3.5419 1.1699 1.1699 1.1925 1.1925 4.4540 4.4540 4.6183 4.6183 4.6488 4.6488 4.7479 4.7479 5.1726 5.1726 5.4674 5.4674 5.9272 5.9272 6.0872 6.0872 6.0937 6.0937 6.1840 6.1840 6.3554 6.3554 6.3876 6.3876 6.9093 6.9093 7.3829 7.3829 8.5506 8.5506 8.8299 8.8299 9.0615 9.0615 9.2903 9.2903 10.3647 10.3647 10.5138 10.5138 11.2122 11.2122 k = 0.5000 0.2887 0.1201 ( 5628 PWs) bands (ev): -18.6616 -18.6616 -18.6610 -18.6610 -6.0271 -6.0271 -6.0174 -6.0174 -4.4940 -4.4940 -4.4887 -4.4887 -3.5552 -3.5552 -3.5414 -3.5414 1.1685 1.1685 1.1932 1.1932 4.4420 4.4420 4.6170 4.6170 4.6493 4.6493 4.7607 4.7607 5.1654 5.1654 5.4852 5.4852 5.9397 5.9397 6.0873 6.0873 6.1166 6.1166 6.1952 6.1952 6.3559 6.3559 6.3929 6.3929 6.8443 6.8443 7.3345 7.3345 8.6001 8.6001 8.8181 8.8181 9.0963 9.0963 9.3433 9.3433 10.3084 10.3084 10.3913 10.3913 11.2073 11.2073 k = 0.5000 0.2887 0.1051 ( 5626 PWs) bands (ev): -18.6617 -18.6617 -18.6609 -18.6609 -6.0274 -6.0274 -6.0169 -6.0169 -4.4942 -4.4942 -4.4885 -4.4885 -3.5559 -3.5559 -3.5409 -3.5409 1.1671 1.1671 1.1939 1.1939 4.4314 4.4314 4.6158 4.6158 4.6496 4.6496 4.7722 4.7722 5.1597 5.1597 5.5009 5.5009 5.9542 5.9542 6.0872 6.0872 6.1401 6.1401 6.2087 6.2087 6.3568 6.3568 6.3990 6.3990 6.7798 6.7798 7.2827 7.2827 8.6561 8.6561 8.8077 8.8077 9.1290 9.1290 9.3943 9.3943 10.2408 10.2408 10.2858 10.2858 11.2015 11.2015 k = 0.5000 0.2887 0.0901 ( 5628 PWs) bands (ev): -18.6617 -18.6617 -18.6609 -18.6609 -6.0278 -6.0278 -6.0166 -6.0166 -4.4944 -4.4944 -4.4883 -4.4883 -3.5565 -3.5565 -3.5406 -3.5406 1.1660 1.1660 1.1944 1.1944 4.4220 4.4220 4.6146 4.6146 4.6498 4.6498 4.7820 4.7820 5.1554 5.1554 5.5143 5.5143 5.9695 5.9695 6.0885 6.0885 6.1628 6.1628 6.2243 6.2243 6.3578 6.3578 6.4065 6.4065 6.7160 6.7160 7.2299 7.2299 8.7157 8.7157 8.7990 8.7990 9.1609 9.1610 9.4418 9.4418 10.1339 10.1339 10.2266 10.2266 11.1959 11.1959 k = 0.5000 0.2887 0.0751 ( 5614 PWs) bands (ev): -18.6617 -18.6617 -18.6609 -18.6609 -6.0280 -6.0280 -6.0163 -6.0163 -4.4945 -4.4945 -4.4881 -4.4881 -3.5570 -3.5570 -3.5402 -3.5402 1.1649 1.1649 1.1949 1.1949 4.4141 4.4141 4.6135 4.6135 4.6500 4.6500 4.7902 4.7902 5.1523 5.1523 5.5254 5.5254 5.9842 5.9842 6.0914 6.0914 6.1856 6.1856 6.2411 6.2411 6.3590 6.3590 6.4155 6.4155 6.6534 6.6534 7.1785 7.1785 8.7719 8.7719 8.7962 8.7962 9.1936 9.1936 9.4845 9.4845 10.0193 10.0193 10.1840 10.1840 11.1910 11.1910 k = 0.5000 0.2887 0.0601 ( 5620 PWs) bands (ev): -18.6617 -18.6617 -18.6609 -18.6609 -6.0283 -6.0283 -6.0160 -6.0160 -4.4946 -4.4946 -4.4879 -4.4879 -3.5574 -3.5574 -3.5400 -3.5400 1.1641 1.1641 1.1953 1.1953 4.4075 4.4075 4.6126 4.6126 4.6501 4.6501 4.7968 4.7968 5.1501 5.1501 5.5342 5.5342 5.9965 5.9965 6.0956 6.0956 6.2105 6.2105 6.2572 6.2572 6.3602 6.3602 6.4260 6.4260 6.5924 6.5924 7.1309 7.1309 8.7810 8.7810 8.8395 8.8395 9.2286 9.2286 9.5212 9.5212 9.9080 9.9080 10.1487 10.1487 11.1870 11.1870 k = 0.5000 0.2887 0.0450 ( 5616 PWs) bands (ev): -18.6617 -18.6617 -18.6609 -18.6609 -6.0284 -6.0284 -6.0158 -6.0158 -4.4947 -4.4947 -4.4878 -4.4878 -3.5578 -3.5578 -3.5398 -3.5398 1.1634 1.1634 1.1956 1.1956 4.4024 4.4024 4.6118 4.6118 4.6501 4.6501 4.8018 4.8018 5.1487 5.1487 5.5409 5.5409 6.0057 6.0057 6.1004 6.1004 6.2392 6.2392 6.2708 6.2708 6.3616 6.3616 6.4373 6.4373 6.5339 6.5339 7.0895 7.0895 8.7769 8.7769 8.8908 8.8908 9.2682 9.2682 9.5511 9.5511 9.8032 9.8032 10.1201 10.1201 11.1838 11.1838 k = 0.5000 0.2887 0.0300 ( 5622 PWs) bands (ev): -18.6617 -18.6617 -18.6608 -18.6608 -6.0286 -6.0286 -6.0156 -6.0156 -4.4948 -4.4948 -4.4877 -4.4877 -3.5580 -3.5580 -3.5396 -3.5396 1.1629 1.1629 1.1958 1.1958 4.3988 4.3988 4.6113 4.6113 4.6501 4.6501 4.8054 4.8054 5.1478 5.1478 5.5456 5.5456 6.0117 6.0117 6.1047 6.1047 6.2715 6.2715 6.2815 6.2815 6.3634 6.3634 6.4467 6.4467 6.4797 6.4797 7.0569 7.0569 8.7735 8.7735 8.9316 8.9316 9.3129 9.3129 9.5731 9.5731 9.7085 9.7085 10.0989 10.0989 11.1816 11.1816 k = 0.5000 0.2887 0.0150 ( 5610 PWs) bands (ev): -18.6617 -18.6617 -18.6608 -18.6608 -6.0287 -6.0287 -6.0156 -6.0156 -4.4948 -4.4948 -4.4876 -4.4876 -3.5581 -3.5581 -3.5395 -3.5395 1.1626 1.1626 1.1959 1.1959 4.3966 4.3966 4.6109 4.6109 4.6502 4.6502 4.8075 4.8075 5.1474 5.1474 5.5483 5.5483 6.0150 6.0150 6.1075 6.1075 6.2858 6.2858 6.3075 6.3075 6.3673 6.3673 6.4241 6.4241 6.4593 6.4593 7.0360 7.0360 8.7714 8.7714 8.9576 8.9576 9.3577 9.3577 9.5863 9.5863 9.6329 9.6329 10.0858 10.0858 11.1802 11.1802 k = 0.5000 0.2887-0.0000 ( 5614 PWs) bands (ev): -18.6617 -18.6617 -18.6608 -18.6608 -6.0287 -6.0287 -6.0155 -6.0155 -4.4948 -4.4948 -4.4876 -4.4876 -3.5582 -3.5582 -3.5395 -3.5395 1.1625 1.1625 1.1959 1.1959 4.3958 4.3958 4.6108 4.6108 4.6502 4.6502 4.8082 4.8082 5.1472 5.1472 5.5492 5.5492 6.0160 6.0160 6.1085 6.1085 6.2880 6.2880 6.3264 6.3264 6.3821 6.3821 6.3872 6.3872 6.4613 6.4613 7.0287 7.0287 8.7707 8.7707 8.9665 8.9665 9.3805 9.3805 9.5883 9.5883 9.6021 9.6021 10.0814 10.0814 11.1797 11.1797 k = 0.3333 0.5774-0.0000 ( 5589 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2059 -6.2059 -5.7921 -5.7921 -4.9886 -4.9886 -4.2385 -4.2385 -3.6940 -3.6940 -3.5252 -3.5252 1.3300 1.3300 1.7676 1.7676 4.4967 4.4967 4.5797 4.5797 4.6334 4.6334 4.7441 4.7441 5.5494 5.5494 5.5953 5.5953 5.9742 5.9742 6.0017 6.0017 6.1488 6.1488 6.1681 6.1681 6.2783 6.2783 6.4076 6.4076 7.2873 7.2873 7.3051 7.3051 7.5706 7.5706 7.7043 7.7043 8.4612 8.4612 10.3407 10.3407 10.4804 10.4804 10.6496 10.6496 10.7017 10.7017 k = 0.3333 0.5774 0.0150 ( 5601 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2059 -6.2059 -5.7921 -5.7921 -4.9886 -4.9886 -4.2385 -4.2385 -3.6940 -3.6940 -3.5252 -3.5252 1.3300 1.3300 1.7676 1.7676 4.4961 4.4961 4.5791 4.5791 4.6342 4.6342 4.7447 4.7447 5.5501 5.5501 5.5948 5.5948 5.9758 5.9758 6.0005 6.0005 6.1474 6.1474 6.1687 6.1687 6.2790 6.2790 6.4074 6.4074 7.2785 7.2785 7.2914 7.2914 7.5832 7.5832 7.7134 7.7134 8.4648 8.4648 10.3381 10.3381 10.4807 10.4807 10.6536 10.6536 10.6979 10.6979 k = 0.3333 0.5774 0.0300 ( 5598 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2059 -6.2059 -5.7921 -5.7921 -4.9886 -4.9886 -4.2385 -4.2385 -3.6939 -3.6939 -3.5252 -3.5252 1.3301 1.3301 1.7678 1.7678 4.4946 4.4946 4.5774 4.5774 4.6367 4.6367 4.7464 4.7464 5.5521 5.5521 5.5932 5.5932 5.9808 5.9808 5.9971 5.9971 6.1431 6.1431 6.1703 6.1703 6.2812 6.2812 6.4067 6.4067 7.2543 7.2543 7.2563 7.2563 7.6148 7.6148 7.7386 7.7386 8.4756 8.4756 10.3294 10.3294 10.4820 10.4820 10.6656 10.6656 10.6879 10.6879 k = 0.3333 0.5774 0.0450 ( 5604 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2059 -6.2059 -5.7921 -5.7921 -4.9886 -4.9886 -4.2385 -4.2385 -3.6939 -3.6939 -3.5251 -3.5251 1.3304 1.3304 1.7680 1.7680 4.4921 4.4921 4.5746 4.5746 4.6406 4.6406 4.7490 4.7490 5.5554 5.5554 5.5907 5.5907 5.9890 5.9890 5.9915 5.9915 6.1360 6.1360 6.1732 6.1732 6.2847 6.2847 6.4055 6.4055 7.2093 7.2093 7.2195 7.2195 7.6561 7.6561 7.7750 7.7750 8.4934 8.4934 10.3121 10.3121 10.4859 10.4859 10.6752 10.6752 10.6856 10.6856 k = 0.3333 0.5774 0.0601 ( 5595 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2060 -6.2060 -5.7921 -5.7921 -4.9887 -4.9887 -4.2385 -4.2385 -3.6939 -3.6939 -3.5251 -3.5251 1.3307 1.3307 1.7683 1.7683 4.4890 4.4890 4.5711 4.5711 4.6457 4.6457 4.7524 4.7524 5.5601 5.5601 5.5873 5.5873 5.9842 5.9842 6.0003 6.0003 6.1261 6.1261 6.1774 6.1774 6.2894 6.2894 6.4038 6.4038 7.1563 7.1563 7.1786 7.1786 7.7009 7.7009 7.8180 7.8180 8.5181 8.5181 10.2836 10.2836 10.4936 10.4936 10.6631 10.6631 10.7134 10.7134 k = 0.3333 0.5774 0.0751 ( 5595 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2060 -6.2060 -5.7921 -5.7921 -4.9887 -4.9887 -4.2385 -4.2385 -3.6939 -3.6939 -3.5250 -3.5250 1.3311 1.3311 1.7686 1.7686 4.4855 4.4855 4.5668 4.5668 4.6518 4.6518 4.7565 4.7565 5.5659 5.5659 5.5834 5.5834 5.9754 5.9754 6.0144 6.0144 6.1138 6.1138 6.1827 6.1827 6.2949 6.2949 6.4017 6.4017 7.1006 7.1006 7.1347 7.1347 7.7461 7.7461 7.8643 7.8643 8.5493 8.5493 10.2431 10.2431 10.5055 10.5055 10.6539 10.6539 10.7490 10.7490 k = 0.3333 0.5774 0.0901 ( 5583 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2060 -6.2060 -5.7921 -5.7921 -4.9887 -4.9887 -4.2385 -4.2385 -3.6938 -3.6938 -3.5250 -3.5250 1.3315 1.3315 1.7690 1.7690 4.4816 4.4816 4.5622 4.5622 4.6586 4.6586 4.7609 4.7609 5.5729 5.5729 5.5791 5.5791 5.9656 5.9656 6.0311 6.0311 6.0994 6.0994 6.1891 6.1891 6.3011 6.3011 6.3989 6.3989 7.0437 7.0437 7.0901 7.0901 7.7901 7.7901 7.9114 7.9114 8.5869 8.5869 10.1911 10.1911 10.5202 10.5202 10.6492 10.6492 10.7921 10.7921 k = 0.3333 0.5774 0.1051 ( 5586 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2060 -6.2060 -5.7921 -5.7921 -4.9888 -4.9888 -4.2385 -4.2385 -3.6938 -3.6938 -3.5249 -3.5249 1.3320 1.3320 1.7695 1.7695 4.4777 4.4777 4.5573 4.5573 4.6658 4.6658 4.7655 4.7655 5.5745 5.5745 5.5809 5.5809 5.9551 5.9551 6.0502 6.0502 6.0834 6.0834 6.1963 6.1963 6.3078 6.3078 6.3957 6.3957 6.9868 6.9868 7.0462 7.0462 7.8319 7.8319 7.9578 7.9578 8.6304 8.6304 10.1293 10.1293 10.5356 10.5356 10.6502 10.6502 10.8426 10.8426 k = 0.3333 0.5774 0.1201 ( 5604 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2060 -6.2060 -5.7921 -5.7921 -4.9888 -4.9888 -4.2385 -4.2385 -3.6938 -3.6938 -3.5248 -3.5248 1.3325 1.3325 1.7699 1.7699 4.4738 4.4738 4.5523 4.5523 4.6732 4.6732 4.7702 4.7702 5.5699 5.5699 5.5898 5.5898 5.9444 5.9444 6.0662 6.0662 6.0714 6.0714 6.2044 6.2044 6.3147 6.3147 6.3920 6.3920 6.9305 6.9305 7.0039 7.0039 7.8708 7.8708 8.0023 8.0023 8.6794 8.6794 10.0597 10.0597 10.5491 10.5491 10.6572 10.6572 10.8568 10.8568 k = 0.3333 0.5774 0.1351 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2060 -6.2060 -5.7921 -5.7921 -4.9888 -4.9888 -4.2385 -4.2385 -3.6937 -3.6937 -3.5247 -3.5247 1.3330 1.3330 1.7704 1.7704 4.4701 4.4701 4.5475 4.5475 4.6805 4.6805 4.7748 4.7748 5.5654 5.5654 5.5994 5.5994 5.9337 5.9337 6.0482 6.0482 6.0945 6.0945 6.2131 6.2131 6.3216 6.3216 6.3879 6.3879 6.8755 6.8755 6.9640 6.9640 7.9063 7.9063 8.0441 8.0441 8.7336 8.7336 9.9842 9.9842 10.5589 10.5589 10.6695 10.6695 10.8756 10.8756 k = 0.3333 0.5774 0.1501 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9889 -4.9889 -4.2385 -4.2385 -3.6937 -3.6937 -3.5246 -3.5246 1.3335 1.3335 1.7709 1.7709 4.4666 4.4666 4.5430 4.5430 4.6876 4.6876 4.7791 4.7791 5.5611 5.5611 5.6095 5.6095 5.9234 5.9234 6.0299 6.0299 6.1192 6.1192 6.2223 6.2223 6.3282 6.3282 6.3833 6.3833 6.8223 6.8223 6.9271 6.9271 7.9381 7.9381 8.0822 8.0822 8.7926 8.7926 9.9043 9.9043 10.5651 10.5651 10.6844 10.6844 10.9007 10.9007 k = 0.3333 0.5774 0.1651 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9889 -4.9889 -4.2386 -4.2386 -3.6936 -3.6936 -3.5246 -3.5246 1.3340 1.3340 1.7713 1.7713 4.4635 4.4635 4.5388 4.5388 4.6942 4.6942 4.7830 4.7830 5.5573 5.5573 5.6198 5.6198 5.9139 5.9139 6.0119 6.0119 6.1450 6.1450 6.2318 6.2318 6.3342 6.3342 6.3787 6.3787 6.7715 6.7715 6.8938 6.8938 7.9660 7.9660 8.1163 8.1163 8.8560 8.8560 9.8214 9.8214 10.5689 10.5689 10.6987 10.6987 10.9326 10.9326 k = 0.3333 0.5774 0.1802 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9889 -4.9889 -4.2386 -4.2386 -3.6936 -3.6936 -3.5245 -3.5245 1.3344 1.3344 1.7717 1.7717 4.4608 4.4608 4.5351 4.5351 4.7001 4.7001 4.7865 4.7865 5.5538 5.5538 5.6300 5.6300 5.9055 5.9055 5.9947 5.9947 6.1713 6.1713 6.2413 6.2413 6.3393 6.3393 6.3742 6.3742 6.7238 6.7238 6.8645 6.8645 7.9898 7.9898 8.1458 8.1458 8.9235 8.9235 9.7366 9.7366 10.5712 10.5712 10.7106 10.7106 10.9705 10.9705 k = 0.3333 0.5774 0.1952 ( 5607 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6936 -3.6936 -3.5244 -3.5244 1.3348 1.3348 1.7721 1.7721 4.4585 4.4585 4.5319 4.5319 4.7052 4.7052 4.7895 4.7895 5.5509 5.5509 5.6394 5.6394 5.8984 5.8984 5.9789 5.9789 6.1973 6.1973 6.2505 6.2505 6.3428 6.3428 6.3704 6.3704 6.6801 6.6801 6.8397 6.8397 8.0093 8.0093 8.1704 8.1704 8.9945 8.9945 9.6507 9.6507 10.5726 10.5726 10.7196 10.7196 11.0117 11.0117 k = 0.3333 0.5774 0.2102 ( 5613 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6935 -3.6935 -3.5244 -3.5244 1.3351 1.3351 1.7724 1.7724 4.4567 4.4567 4.5294 4.5294 4.7093 4.7093 4.7918 4.7918 5.5486 5.5486 5.6477 5.6477 5.8930 5.8930 5.9652 5.9652 6.2217 6.2217 6.2590 6.2590 6.3441 6.3441 6.3681 6.3681 6.6419 6.6419 6.8199 6.8199 8.0246 8.0246 8.1898 8.1898 9.0688 9.0688 9.5645 9.5645 10.5735 10.5735 10.7258 10.7258 11.0525 11.0525 k = 0.3333 0.5774 0.2252 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6935 -3.6935 -3.5243 -3.5243 1.3353 1.3353 1.7726 1.7726 4.4554 4.4554 4.5275 4.5275 4.7124 4.7124 4.7936 4.7936 5.5469 5.5469 5.6543 5.6543 5.8892 5.8892 5.9546 5.9546 6.2424 6.2424 6.2661 6.2661 6.3433 6.3433 6.3675 6.3675 6.6113 6.6113 6.8054 6.8054 8.0356 8.0356 8.2037 8.2037 9.1459 9.1459 9.4788 9.4788 10.5740 10.5740 10.7299 10.7299 11.0877 11.0878 k = 0.3333 0.5774 0.2402 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6935 -3.6935 -3.5243 -3.5243 1.3355 1.3355 1.7727 1.7727 4.4546 4.4546 4.5264 4.5264 4.7142 4.7142 4.7946 4.7946 5.5459 5.5459 5.6584 5.6584 5.8870 5.8870 5.9477 5.9477 6.2568 6.2568 6.2709 6.2709 6.3418 6.3418 6.3677 6.3677 6.5910 6.5910 6.7965 6.7965 8.0421 8.0421 8.2122 8.2122 9.2249 9.2249 9.3945 9.3945 10.5743 10.5743 10.7322 10.7322 11.1121 11.1121 k = 0.3333 0.5774 0.2552 ( 5610 PWs) bands (ev): -18.6563 -18.6563 -18.6550 -18.6550 -6.2061 -6.2061 -5.7921 -5.7921 -4.9890 -4.9890 -4.2386 -4.2386 -3.6935 -3.6935 -3.5243 -3.5243 1.3355 1.3355 1.7727 1.7727 4.4543 4.4543 4.5261 4.5261 4.7149 4.7149 4.7950 4.7950 5.5455 5.5455 5.6599 5.6599 5.8863 5.8863 5.9453 5.9453 6.2620 6.2620 6.2727 6.2727 6.3410 6.3410 6.3679 6.3679 6.5838 6.5838 6.7935 6.7935 8.0443 8.0443 8.2150 8.2150 9.2914 9.2914 9.3263 9.3263 10.5744 10.5744 10.7329 10.7329 11.1208 11.1208 Writing output data file BaSbAu.save init_run : 0.63s CPU 0.82s WALL ( 1 calls) electrons : 300.16s CPU 303.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 300.15s CPU 303.78s 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 : 0.21s CPU 0.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 274 calls) cegterg : 283.51s CPU 286.68s WALL ( 666 calls) Called by sum_band: Called by *egterg: h_psi : 156.07s CPU 157.88s WALL ( 11301 calls) s_psi : 13.88s CPU 13.75s WALL ( 11301 calls) g_psi : 0.44s CPU 0.47s WALL ( 10361 calls) cdiaghg : 92.14s CPU 93.57s WALL ( 10635 calls) cegterg:over : 12.84s CPU 12.80s WALL ( 10361 calls) cegterg:upda : 11.09s CPU 11.26s WALL ( 10361 calls) cegterg:last : 5.47s CPU 5.46s WALL ( 1488 calls) cdiaghg:chol : 4.98s CPU 5.32s WALL ( 10635 calls) cdiaghg:inve : 3.70s CPU 3.71s WALL ( 10635 calls) cdiaghg:para : 5.86s CPU 5.83s WALL ( 21270 calls) Called by h_psi: h_psi:vloc : 128.33s CPU 129.94s WALL ( 11301 calls) h_psi:vnl : 27.29s CPU 27.48s WALL ( 11301 calls) add_vuspsi : 15.14s CPU 15.14s WALL ( 11301 calls) General routines calbec : 12.14s CPU 12.31s WALL ( 11301 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.40s CPU 117.03s WALL ( 1116916 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.25s WALL ( 548 calls) Parallel routines fft_scatter : 35.77s CPU 36.09s WALL ( 1116939 calls) PWSCF : 5m20.20s CPU 5m33.07s WALL This run was terminated on: 13:34:58 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=