Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 4:39 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: ./BaZnSi.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 23 7 2327 1221 191 Max 36 24 8 2346 1248 198 Sum 1285 847 253 84133 44341 6979 bravais-lattice index = 14 lattice parameter (alat) = 8.2902 a.u. unit-cell volume = 1089.1115 (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 = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.290228 celldm(2)= 1.000000 celldm(3)= 2.207203 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 2.207203 ) 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 0.453062 ) 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) Si 4.00 28.08550 Si( 1.00) Zn 12.00 65.40900 Zn( 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 ) ( -1.1036016 ) 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 ) ( 1.1036016 ) 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 ) ( -1.1036016 ) 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 ) ( -1.1036016 ) 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 ) ( 1.1036016 ) 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 ) ( 1.1036016 ) 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 ) ( 1.1036016 ) 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 ) ( -1.1036016 ) 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 ) ( 1.1036016 ) 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 ) ( 1.1036016 ) 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 ) ( -1.1036016 ) 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 ) ( -1.1036016 ) 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= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0034722 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0034722 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0034722 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0034722 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0034722 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0034722 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0034722 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034722 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0034722 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0034722 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0034722 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0034722 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0034722 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034722 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0034722 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0034722 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0034722 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0034722 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0034722 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0034722 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034722 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0034722 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0034722 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0034722 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0034722 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0034722 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0034722 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0034722 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0034722 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0034722 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0034722 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0034722 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0034722 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0034722 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0034722 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0034722 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0034722 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0034722 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034722 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0034722 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034722 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0034722 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0034722 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0034722 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034722 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0034722 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0034722 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0034722 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034722 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0034722 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034722 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0034722 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0034722 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0034722 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0034722 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0034722 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0034722 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0034722 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0034722 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0034722 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0034722 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0034722 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0034722 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0034722 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0034722 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0034722 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0034722 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0034722 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0034722 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0034722 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0034722 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034722 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0034722 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0034722 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0034722 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0034722 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0034722 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0034722 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0034722 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034722 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0034722 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0034722 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0034722 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0034722 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0034722 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0034722 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0034722 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034722 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0034722 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0034722 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0034722 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0034722 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0034722 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0034722 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0034722 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0034722 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0034722 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0034722 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0034722 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0034722 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0034722 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0034722 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.0133254), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.0266507), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.0399761), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.0533014), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.0666268), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.0799521), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.0932775), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.1066028), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.1199282), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.1332536), wk = 0.0034722 k( 129) = ( 0.0000000 0.0000000 0.1465789), wk = 0.0034722 k( 130) = ( 0.0000000 0.0000000 0.1599043), wk = 0.0034722 k( 131) = ( 0.0000000 0.0000000 0.1732296), wk = 0.0034722 k( 132) = ( 0.0000000 0.0000000 0.1865550), wk = 0.0034722 k( 133) = ( 0.0000000 0.0000000 0.1998803), wk = 0.0034722 k( 134) = ( 0.0000000 0.0000000 0.2132057), wk = 0.0034722 k( 135) = ( 0.0000000 0.0000000 0.2265310), wk = 0.0034722 k( 136) = ( 0.0000000 0.0000000 0.2265310), wk = 0.0034722 k( 137) = ( 0.0119048 0.0068732 0.2265310), wk = 0.0034722 k( 138) = ( 0.0238095 0.0137464 0.2265310), wk = 0.0034722 k( 139) = ( 0.0357143 0.0206197 0.2265310), wk = 0.0034722 k( 140) = ( 0.0476191 0.0274929 0.2265310), wk = 0.0034722 k( 141) = ( 0.0595238 0.0343661 0.2265310), wk = 0.0034722 k( 142) = ( 0.0714286 0.0412393 0.2265310), wk = 0.0034722 k( 143) = ( 0.0833333 0.0481125 0.2265310), wk = 0.0034722 k( 144) = ( 0.0952381 0.0549857 0.2265310), wk = 0.0034722 k( 145) = ( 0.1071429 0.0618590 0.2265310), wk = 0.0034722 k( 146) = ( 0.1190476 0.0687322 0.2265310), wk = 0.0034722 k( 147) = ( 0.1309524 0.0756054 0.2265310), wk = 0.0034722 k( 148) = ( 0.1428571 0.0824786 0.2265310), wk = 0.0034722 k( 149) = ( 0.1547619 0.0893518 0.2265310), wk = 0.0034722 k( 150) = ( 0.1666667 0.0962250 0.2265310), wk = 0.0034722 k( 151) = ( 0.1785714 0.1030983 0.2265310), wk = 0.0034722 k( 152) = ( 0.1904762 0.1099715 0.2265310), wk = 0.0034722 k( 153) = ( 0.2023810 0.1168447 0.2265310), wk = 0.0034722 k( 154) = ( 0.2142857 0.1237179 0.2265310), wk = 0.0034722 k( 155) = ( 0.2261905 0.1305911 0.2265310), wk = 0.0034722 k( 156) = ( 0.2380952 0.1374644 0.2265310), wk = 0.0034722 k( 157) = ( 0.2500000 0.1443376 0.2265310), wk = 0.0034722 k( 158) = ( 0.2619048 0.1512108 0.2265310), wk = 0.0034722 k( 159) = ( 0.2738095 0.1580840 0.2265310), wk = 0.0034722 k( 160) = ( 0.2857143 0.1649572 0.2265310), wk = 0.0034722 k( 161) = ( 0.2976190 0.1718304 0.2265310), wk = 0.0034722 k( 162) = ( 0.3095238 0.1787037 0.2265310), wk = 0.0034722 k( 163) = ( 0.3214286 0.1855769 0.2265310), wk = 0.0034722 k( 164) = ( 0.3333333 0.1924501 0.2265310), wk = 0.0034722 k( 165) = ( 0.3452381 0.1993233 0.2265310), wk = 0.0034722 k( 166) = ( 0.3571429 0.2061965 0.2265310), wk = 0.0034722 k( 167) = ( 0.3690476 0.2130697 0.2265310), wk = 0.0034722 k( 168) = ( 0.3809524 0.2199430 0.2265310), wk = 0.0034722 k( 169) = ( 0.3928571 0.2268162 0.2265310), wk = 0.0034722 k( 170) = ( 0.4047619 0.2336894 0.2265310), wk = 0.0034722 k( 171) = ( 0.4166667 0.2405626 0.2265310), wk = 0.0034722 k( 172) = ( 0.4285714 0.2474358 0.2265310), wk = 0.0034722 k( 173) = ( 0.4404762 0.2543090 0.2265310), wk = 0.0034722 k( 174) = ( 0.4523810 0.2611823 0.2265310), wk = 0.0034722 k( 175) = ( 0.4642857 0.2680555 0.2265310), wk = 0.0034722 k( 176) = ( 0.4761905 0.2749287 0.2265310), wk = 0.0034722 k( 177) = ( 0.4880952 0.2818019 0.2265310), wk = 0.0034722 k( 178) = ( 0.5000000 0.2886751 0.2265310), wk = 0.0034722 k( 179) = ( 0.5000000 0.2886751 0.2265310), wk = 0.0034722 k( 180) = ( 0.4930556 0.3007033 0.2265310), wk = 0.0034722 k( 181) = ( 0.4861111 0.3127314 0.2265310), wk = 0.0034722 k( 182) = ( 0.4791667 0.3247595 0.2265310), wk = 0.0034722 k( 183) = ( 0.4722222 0.3367877 0.2265310), wk = 0.0034722 k( 184) = ( 0.4652778 0.3488158 0.2265310), wk = 0.0034722 k( 185) = ( 0.4583333 0.3608439 0.2265310), wk = 0.0034722 k( 186) = ( 0.4513889 0.3728720 0.2265310), wk = 0.0034722 k( 187) = ( 0.4444444 0.3849002 0.2265310), wk = 0.0034722 k( 188) = ( 0.4375000 0.3969283 0.2265310), wk = 0.0034722 k( 189) = ( 0.4305556 0.4089564 0.2265310), wk = 0.0034722 k( 190) = ( 0.4236111 0.4209846 0.2265310), wk = 0.0034722 k( 191) = ( 0.4166667 0.4330127 0.2265310), wk = 0.0034722 k( 192) = ( 0.4097222 0.4450408 0.2265310), wk = 0.0034722 k( 193) = ( 0.4027778 0.4570690 0.2265310), wk = 0.0034722 k( 194) = ( 0.3958333 0.4690971 0.2265310), wk = 0.0034722 k( 195) = ( 0.3888889 0.4811252 0.2265310), wk = 0.0034722 k( 196) = ( 0.3819444 0.4931534 0.2265310), wk = 0.0034722 k( 197) = ( 0.3750000 0.5051815 0.2265310), wk = 0.0034722 k( 198) = ( 0.3680556 0.5172096 0.2265310), wk = 0.0034722 k( 199) = ( 0.3611111 0.5292377 0.2265310), wk = 0.0034722 k( 200) = ( 0.3541667 0.5412659 0.2265310), wk = 0.0034722 k( 201) = ( 0.3472222 0.5532940 0.2265310), wk = 0.0034722 k( 202) = ( 0.3402778 0.5653221 0.2265310), wk = 0.0034722 k( 203) = ( 0.3333333 0.5773503 0.2265310), wk = 0.0034722 k( 204) = ( 0.3333333 0.5773503 0.2265310), wk = 0.0034722 k( 205) = ( 0.3263889 0.5653221 0.2265310), wk = 0.0034722 k( 206) = ( 0.3194444 0.5532940 0.2265310), wk = 0.0034722 k( 207) = ( 0.3125000 0.5412659 0.2265310), wk = 0.0034722 k( 208) = ( 0.3055556 0.5292378 0.2265310), wk = 0.0034722 k( 209) = ( 0.2986111 0.5172096 0.2265310), wk = 0.0034722 k( 210) = ( 0.2916667 0.5051815 0.2265310), wk = 0.0034722 k( 211) = ( 0.2847222 0.4931534 0.2265310), wk = 0.0034722 k( 212) = ( 0.2777778 0.4811252 0.2265310), wk = 0.0034722 k( 213) = ( 0.2708333 0.4690971 0.2265310), wk = 0.0034722 k( 214) = ( 0.2638889 0.4570690 0.2265310), wk = 0.0034722 k( 215) = ( 0.2569444 0.4450408 0.2265310), wk = 0.0034722 k( 216) = ( 0.2500000 0.4330127 0.2265310), wk = 0.0034722 k( 217) = ( 0.2430556 0.4209846 0.2265310), wk = 0.0034722 k( 218) = ( 0.2361111 0.4089564 0.2265310), wk = 0.0034722 k( 219) = ( 0.2291667 0.3969283 0.2265310), wk = 0.0034722 k( 220) = ( 0.2222222 0.3849002 0.2265310), wk = 0.0034722 k( 221) = ( 0.2152778 0.3728721 0.2265310), wk = 0.0034722 k( 222) = ( 0.2083333 0.3608439 0.2265310), wk = 0.0034722 k( 223) = ( 0.2013889 0.3488158 0.2265310), wk = 0.0034722 k( 224) = ( 0.1944444 0.3367876 0.2265310), wk = 0.0034722 k( 225) = ( 0.1875000 0.3247595 0.2265310), wk = 0.0034722 k( 226) = ( 0.1805556 0.3127314 0.2265310), wk = 0.0034722 k( 227) = ( 0.1736111 0.3007033 0.2265310), wk = 0.0034722 k( 228) = ( 0.1666667 0.2886751 0.2265310), wk = 0.0034722 k( 229) = ( 0.1597222 0.2766470 0.2265310), wk = 0.0034722 k( 230) = ( 0.1527778 0.2646189 0.2265310), wk = 0.0034722 k( 231) = ( 0.1458333 0.2525907 0.2265310), wk = 0.0034722 k( 232) = ( 0.1388889 0.2405626 0.2265310), wk = 0.0034722 k( 233) = ( 0.1319444 0.2285345 0.2265310), wk = 0.0034722 k( 234) = ( 0.1250000 0.2165064 0.2265310), wk = 0.0034722 k( 235) = ( 0.1180556 0.2044782 0.2265310), wk = 0.0034722 k( 236) = ( 0.1111111 0.1924501 0.2265310), wk = 0.0034722 k( 237) = ( 0.1041667 0.1804220 0.2265310), wk = 0.0034722 k( 238) = ( 0.0972222 0.1683938 0.2265310), wk = 0.0034722 k( 239) = ( 0.0902778 0.1563657 0.2265310), wk = 0.0034722 k( 240) = ( 0.0833333 0.1443376 0.2265310), wk = 0.0034722 k( 241) = ( 0.0763889 0.1323094 0.2265310), wk = 0.0034722 k( 242) = ( 0.0694444 0.1202813 0.2265310), wk = 0.0034722 k( 243) = ( 0.0625000 0.1082532 0.2265310), wk = 0.0034722 k( 244) = ( 0.0555556 0.0962251 0.2265310), wk = 0.0034722 k( 245) = ( 0.0486111 0.0841969 0.2265310), wk = 0.0034722 k( 246) = ( 0.0416667 0.0721688 0.2265310), wk = 0.0034722 k( 247) = ( 0.0347222 0.0601406 0.2265310), wk = 0.0034722 k( 248) = ( 0.0277778 0.0481125 0.2265310), wk = 0.0034722 k( 249) = ( 0.0208333 0.0360844 0.2265310), wk = 0.0034722 k( 250) = ( 0.0138889 0.0240563 0.2265310), wk = 0.0034722 k( 251) = ( 0.0069444 0.0120281 0.2265310), wk = 0.0034722 k( 252) = ( 0.0000000 0.0000000 0.2265310), wk = 0.0034722 k( 253) = ( 0.5000000 0.2886751 0.2265310), wk = 0.0034722 k( 254) = ( 0.5000000 0.2886751 0.2132057), wk = 0.0034722 k( 255) = ( 0.5000000 0.2886751 0.1998803), wk = 0.0034722 k( 256) = ( 0.5000000 0.2886751 0.1865550), wk = 0.0034722 k( 257) = ( 0.5000000 0.2886751 0.1732296), wk = 0.0034722 k( 258) = ( 0.5000000 0.2886751 0.1599043), wk = 0.0034722 k( 259) = ( 0.5000000 0.2886751 0.1465789), wk = 0.0034722 k( 260) = ( 0.5000000 0.2886751 0.1332536), wk = 0.0034722 k( 261) = ( 0.5000000 0.2886751 0.1199282), wk = 0.0034722 k( 262) = ( 0.5000000 0.2886751 0.1066028), wk = 0.0034722 k( 263) = ( 0.5000000 0.2886751 0.0932775), wk = 0.0034722 k( 264) = ( 0.5000000 0.2886751 0.0799521), wk = 0.0034722 k( 265) = ( 0.5000000 0.2886751 0.0666268), wk = 0.0034722 k( 266) = ( 0.5000000 0.2886751 0.0533014), wk = 0.0034722 k( 267) = ( 0.5000000 0.2886751 0.0399761), wk = 0.0034722 k( 268) = ( 0.5000000 0.2886751 0.0266507), wk = 0.0034722 k( 269) = ( 0.5000000 0.2886751 0.0133254), wk = 0.0034722 k( 270) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034722 k( 271) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034722 k( 272) = ( 0.3333333 0.5773503 0.0133254), wk = 0.0034722 k( 273) = ( 0.3333333 0.5773503 0.0266507), wk = 0.0034722 k( 274) = ( 0.3333333 0.5773503 0.0399761), wk = 0.0034722 k( 275) = ( 0.3333333 0.5773503 0.0533014), wk = 0.0034722 k( 276) = ( 0.3333333 0.5773503 0.0666268), wk = 0.0034722 k( 277) = ( 0.3333333 0.5773503 0.0799521), wk = 0.0034722 k( 278) = ( 0.3333333 0.5773503 0.0932775), wk = 0.0034722 k( 279) = ( 0.3333333 0.5773503 0.1066028), wk = 0.0034722 k( 280) = ( 0.3333333 0.5773503 0.1199282), wk = 0.0034722 k( 281) = ( 0.3333333 0.5773503 0.1332536), wk = 0.0034722 k( 282) = ( 0.3333333 0.5773503 0.1465789), wk = 0.0034722 k( 283) = ( 0.3333333 0.5773503 0.1599043), wk = 0.0034722 k( 284) = ( 0.3333333 0.5773503 0.1732296), wk = 0.0034722 k( 285) = ( 0.3333333 0.5773503 0.1865550), wk = 0.0034722 k( 286) = ( 0.3333333 0.5773503 0.1998803), wk = 0.0034722 k( 287) = ( 0.3333333 0.5773503 0.2132057), wk = 0.0034722 k( 288) = ( 0.3333333 0.5773503 0.2265310), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0034722 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0034722 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0034722 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0034722 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0034722 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0034722 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0034722 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0034722 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0034722 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0034722 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2023810 0.0000000 -0.0000000), wk = 0.0034722 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0034722 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0034722 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0034722 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034722 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0034722 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0034722 k( 25) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0034722 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0034722 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0034722 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034722 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0034722 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0034722 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0034722 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0034722 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0034722 k( 35) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0034722 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0034722 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0034722 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0034722 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0034722 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0034722 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0034722 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0034722 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0034722 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0034722 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0034722 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0034722 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0034722 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0034722 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0034722 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0034722 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0034722 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0034722 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034722 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0034722 k( 58) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0034722 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0034722 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0034722 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0034722 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034722 k( 63) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0034722 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0034722 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0034722 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0034722 k( 67) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0034722 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034722 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034722 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0034722 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0034722 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0034722 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0034722 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0034722 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0034722 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0034722 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034722 k( 78) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0034722 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0034722 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0034722 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034722 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0034722 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0034722 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0034722 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034722 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0034722 k( 87) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0034722 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0034722 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0034722 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0034722 k( 91) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0034722 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0034722 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034722 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0034722 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0034722 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0034722 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034722 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0034722 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0034722 k( 100) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0034722 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034722 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0034722 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0034722 k( 104) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0034722 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034722 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0034722 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0034722 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0034722 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034722 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0034722 k( 111) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0034722 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0034722 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034722 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0034722 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0034722 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0034722 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 119) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0034722 k( 120) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0034722 k( 121) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0034722 k( 122) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0034722 k( 123) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0034722 k( 124) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0034722 k( 125) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0034722 k( 126) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0034722 k( 127) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0034722 k( 128) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0034722 k( 129) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0034722 k( 130) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0034722 k( 131) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0034722 k( 132) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0034722 k( 133) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0034722 k( 134) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0034722 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 137) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0034722 k( 138) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0034722 k( 139) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0034722 k( 140) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0034722 k( 141) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0034722 k( 142) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0034722 k( 143) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0034722 k( 144) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0034722 k( 145) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0034722 k( 146) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0034722 k( 147) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0034722 k( 148) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0034722 k( 149) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0034722 k( 150) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0034722 k( 151) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0034722 k( 152) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0034722 k( 153) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0034722 k( 154) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0034722 k( 155) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0034722 k( 156) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0034722 k( 157) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034722 k( 158) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0034722 k( 159) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0034722 k( 160) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0034722 k( 161) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0034722 k( 162) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0034722 k( 163) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0034722 k( 164) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034722 k( 165) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0034722 k( 166) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0034722 k( 167) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0034722 k( 168) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0034722 k( 169) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0034722 k( 170) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0034722 k( 171) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0034722 k( 172) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0034722 k( 173) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0034722 k( 174) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0034722 k( 175) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0034722 k( 176) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0034722 k( 177) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0034722 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 180) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0034722 k( 181) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0034722 k( 182) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0034722 k( 183) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0034722 k( 184) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0034722 k( 185) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034722 k( 186) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0034722 k( 187) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034722 k( 188) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0034722 k( 189) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0034722 k( 190) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0034722 k( 191) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034722 k( 192) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0034722 k( 193) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0034722 k( 194) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0034722 k( 195) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034722 k( 196) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0034722 k( 197) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034722 k( 198) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0034722 k( 199) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0034722 k( 200) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0034722 k( 201) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0034722 k( 202) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0034722 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 k( 205) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0034722 k( 206) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0034722 k( 207) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0034722 k( 208) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0034722 k( 209) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0034722 k( 210) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0034722 k( 211) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0034722 k( 212) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0034722 k( 213) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0034722 k( 214) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0034722 k( 215) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0034722 k( 216) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034722 k( 217) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0034722 k( 218) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0034722 k( 219) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0034722 k( 220) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034722 k( 221) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0034722 k( 222) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0034722 k( 223) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0034722 k( 224) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0034722 k( 225) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0034722 k( 226) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0034722 k( 227) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0034722 k( 228) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034722 k( 229) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0034722 k( 230) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0034722 k( 231) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0034722 k( 232) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0034722 k( 233) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0034722 k( 234) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0034722 k( 235) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0034722 k( 236) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034722 k( 237) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0034722 k( 238) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0034722 k( 239) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0034722 k( 240) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0034722 k( 241) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0034722 k( 242) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0034722 k( 243) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0034722 k( 244) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0034722 k( 245) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0034722 k( 246) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0034722 k( 247) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0034722 k( 248) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0034722 k( 249) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0034722 k( 250) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0034722 k( 251) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0034722 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034722 k( 253) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034722 k( 254) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0034722 k( 255) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0034722 k( 256) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0034722 k( 257) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0034722 k( 258) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0034722 k( 259) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0034722 k( 260) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0034722 k( 261) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0034722 k( 262) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0034722 k( 263) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0034722 k( 264) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0034722 k( 265) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0034722 k( 266) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0034722 k( 267) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0034722 k( 268) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0034722 k( 269) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0034722 k( 270) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034722 k( 271) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034722 k( 272) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0034722 k( 273) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0034722 k( 274) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0034722 k( 275) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0034722 k( 276) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0034722 k( 277) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0034722 k( 278) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0034722 k( 279) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0034722 k( 280) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0034722 k( 281) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0034722 k( 282) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0034722 k( 283) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0034722 k( 284) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0034722 k( 285) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0034722 k( 286) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0034722 k( 287) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0034722 k( 288) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034722 Dense grid: 84133 G-vectors FFT dimensions: ( 45, 45, 100) Smooth grid: 44341 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 320, 62) NL pseudopotentials 0.50 Mb ( 160, 206) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2329) G-vector shells 0.01 Mb ( 1064) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.21 Mb ( 320, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BaZnSi.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.2 secs Computing kpt #: 10 total cpu time spent up to now is 11.2 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.2 secs Computing kpt #: 14 total cpu time spent up to now is 15.0 secs Computing kpt #: 15 total cpu time spent up to now is 15.9 secs Computing kpt #: 16 total cpu time spent up to now is 16.8 secs Computing kpt #: 17 total cpu time spent up to now is 17.6 secs Computing kpt #: 18 total cpu time spent up to now is 18.5 secs Computing kpt #: 19 total cpu time spent up to now is 19.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.2 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 21.9 secs Computing kpt #: 23 total cpu time spent up to now is 22.6 secs Computing kpt #: 24 total cpu time spent up to now is 23.4 secs Computing kpt #: 25 total cpu time spent up to now is 24.0 secs Computing kpt #: 26 total cpu time spent up to now is 24.7 secs Computing kpt #: 27 total cpu time spent up to now is 25.4 secs Computing kpt #: 28 total cpu time spent up to now is 26.0 secs Computing kpt #: 29 total cpu time spent up to now is 26.7 secs Computing kpt #: 30 total cpu time spent up to now is 27.3 secs Computing kpt #: 31 total cpu time spent up to now is 28.0 secs Computing kpt #: 32 total cpu time spent up to now is 28.7 secs Computing kpt #: 33 total cpu time spent up to now is 29.4 secs Computing kpt #: 34 total cpu time spent up to now is 30.0 secs Computing kpt #: 35 total cpu time spent up to now is 30.7 secs Computing kpt #: 36 total cpu time spent up to now is 31.4 secs Computing kpt #: 37 total cpu time spent up to now is 32.1 secs Computing kpt #: 38 total cpu time spent up to now is 32.8 secs Computing kpt #: 39 total cpu time spent up to now is 33.6 secs Computing kpt #: 40 total cpu time spent up to now is 34.3 secs Computing kpt #: 41 total cpu time spent up to now is 35.0 secs Computing kpt #: 42 total cpu time spent up to now is 35.7 secs Computing kpt #: 43 total cpu time spent up to now is 36.5 secs Computing kpt #: 44 total cpu time spent up to now is 37.3 secs Computing kpt #: 45 total cpu time spent up to now is 37.9 secs Computing kpt #: 46 total cpu time spent up to now is 38.6 secs Computing kpt #: 47 total cpu time spent up to now is 39.3 secs Computing kpt #: 48 total cpu time spent up to now is 39.9 secs Computing kpt #: 49 total cpu time spent up to now is 40.6 secs Computing kpt #: 50 total cpu time spent up to now is 41.2 secs Computing kpt #: 51 total cpu time spent up to now is 41.9 secs Computing kpt #: 52 total cpu time spent up to now is 42.6 secs Computing kpt #: 53 total cpu time spent up to now is 43.4 secs Computing kpt #: 54 total cpu time spent up to now is 44.2 secs Computing kpt #: 55 total cpu time spent up to now is 45.0 secs Computing kpt #: 56 total cpu time spent up to now is 45.8 secs Computing kpt #: 57 total cpu time spent up to now is 46.6 secs Computing kpt #: 58 total cpu time spent up to now is 47.4 secs Computing kpt #: 59 total cpu time spent up to now is 48.2 secs Computing kpt #: 60 total cpu time spent up to now is 49.0 secs Computing kpt #: 61 total cpu time spent up to now is 49.8 secs Computing kpt #: 62 total cpu time spent up to now is 50.7 secs Computing kpt #: 63 total cpu time spent up to now is 51.5 secs Computing kpt #: 64 total cpu time spent up to now is 52.3 secs Computing kpt #: 65 total cpu time spent up to now is 53.1 secs Computing kpt #: 66 total cpu time spent up to now is 53.9 secs Computing kpt #: 67 total cpu time spent up to now is 54.7 secs Computing kpt #: 68 total cpu time spent up to now is 55.5 secs Computing kpt #: 69 total cpu time spent up to now is 56.3 secs Computing kpt #: 70 total cpu time spent up to now is 57.1 secs Computing kpt #: 71 total cpu time spent up to now is 57.9 secs Computing kpt #: 72 total cpu time spent up to now is 58.8 secs Computing kpt #: 73 total cpu time spent up to now is 59.6 secs Computing kpt #: 74 total cpu time spent up to now is 60.4 secs Computing kpt #: 75 total cpu time spent up to now is 61.1 secs Computing kpt #: 76 total cpu time spent up to now is 61.8 secs Computing kpt #: 77 total cpu time spent up to now is 62.4 secs Computing kpt #: 78 total cpu time spent up to now is 63.1 secs Computing kpt #: 79 total cpu time spent up to now is 63.8 secs Computing kpt #: 80 total cpu time spent up to now is 64.5 secs Computing kpt #: 81 total cpu time spent up to now is 65.1 secs Computing kpt #: 82 total cpu time spent up to now is 65.8 secs Computing kpt #: 83 total cpu time spent up to now is 66.5 secs Computing kpt #: 84 total cpu time spent up to now is 67.1 secs Computing kpt #: 85 total cpu time spent up to now is 67.8 secs Computing kpt #: 86 total cpu time spent up to now is 68.4 secs Computing kpt #: 87 total cpu time spent up to now is 69.1 secs Computing kpt #: 88 total cpu time spent up to now is 69.8 secs Computing kpt #: 89 total cpu time spent up to now is 70.5 secs Computing kpt #: 90 total cpu time spent up to now is 71.1 secs Computing kpt #: 91 total cpu time spent up to now is 71.8 secs Computing kpt #: 92 total cpu time spent up to now is 72.5 secs Computing kpt #: 93 total cpu time spent up to now is 73.2 secs Computing kpt #: 94 total cpu time spent up to now is 73.9 secs Computing kpt #: 95 total cpu time spent up to now is 74.6 secs Computing kpt #: 96 total cpu time spent up to now is 75.3 secs Computing kpt #: 97 total cpu time spent up to now is 76.0 secs Computing kpt #: 98 total cpu time spent up to now is 76.9 secs Computing kpt #: 99 total cpu time spent up to now is 77.8 secs Computing kpt #: 100 total cpu time spent up to now is 78.7 secs Computing kpt #: 101 total cpu time spent up to now is 79.6 secs Computing kpt #: 102 total cpu time spent up to now is 80.4 secs Computing kpt #: 103 total cpu time spent up to now is 81.3 secs Computing kpt #: 104 total cpu time spent up to now is 82.1 secs Computing kpt #: 105 total cpu time spent up to now is 83.0 secs Computing kpt #: 106 total cpu time spent up to now is 83.9 secs Computing kpt #: 107 total cpu time spent up to now is 84.7 secs Computing kpt #: 108 total cpu time spent up to now is 85.8 secs Computing kpt #: 109 total cpu time spent up to now is 86.6 secs Computing kpt #: 110 total cpu time spent up to now is 87.4 secs Computing kpt #: 111 total cpu time spent up to now is 88.2 secs Computing kpt #: 112 total cpu time spent up to now is 88.9 secs Computing kpt #: 113 total cpu time spent up to now is 89.8 secs Computing kpt #: 114 total cpu time spent up to now is 90.7 secs Computing kpt #: 115 total cpu time spent up to now is 91.5 secs Computing kpt #: 116 total cpu time spent up to now is 92.2 secs Computing kpt #: 117 total cpu time spent up to now is 92.9 secs Computing kpt #: 118 total cpu time spent up to now is 93.7 secs Computing kpt #: 119 total cpu time spent up to now is 94.4 secs Computing kpt #: 120 total cpu time spent up to now is 95.1 secs Computing kpt #: 121 total cpu time spent up to now is 95.8 secs Computing kpt #: 122 total cpu time spent up to now is 96.5 secs Computing kpt #: 123 total cpu time spent up to now is 97.2 secs Computing kpt #: 124 total cpu time spent up to now is 97.9 secs Computing kpt #: 125 total cpu time spent up to now is 98.6 secs Computing kpt #: 126 total cpu time spent up to now is 99.3 secs Computing kpt #: 127 total cpu time spent up to now is 100.1 secs Computing kpt #: 128 total cpu time spent up to now is 100.9 secs Computing kpt #: 129 total cpu time spent up to now is 101.7 secs Computing kpt #: 130 total cpu time spent up to now is 102.5 secs Computing kpt #: 131 total cpu time spent up to now is 103.3 secs Computing kpt #: 132 total cpu time spent up to now is 104.0 secs Computing kpt #: 133 total cpu time spent up to now is 104.7 secs Computing kpt #: 134 total cpu time spent up to now is 105.4 secs Computing kpt #: 135 total cpu time spent up to now is 106.1 secs Computing kpt #: 136 total cpu time spent up to now is 106.7 secs Computing kpt #: 137 total cpu time spent up to now is 107.4 secs Computing kpt #: 138 total cpu time spent up to now is 108.1 secs Computing kpt #: 139 total cpu time spent up to now is 108.9 secs Computing kpt #: 140 total cpu time spent up to now is 109.6 secs Computing kpt #: 141 total cpu time spent up to now is 110.4 secs Computing kpt #: 142 total cpu time spent up to now is 111.2 secs Computing kpt #: 143 total cpu time spent up to now is 111.9 secs Computing kpt #: 144 total cpu time spent up to now is 112.7 secs Computing kpt #: 145 total cpu time spent up to now is 113.5 secs Computing kpt #: 146 total cpu time spent up to now is 114.3 secs Computing kpt #: 147 total cpu time spent up to now is 115.0 secs Computing kpt #: 148 total cpu time spent up to now is 115.7 secs Computing kpt #: 149 total cpu time spent up to now is 116.5 secs Computing kpt #: 150 total cpu time spent up to now is 117.3 secs Computing kpt #: 151 total cpu time spent up to now is 118.1 secs Computing kpt #: 152 total cpu time spent up to now is 118.9 secs Computing kpt #: 153 total cpu time spent up to now is 119.7 secs Computing kpt #: 154 total cpu time spent up to now is 120.4 secs Computing kpt #: 155 total cpu time spent up to now is 121.2 secs Computing kpt #: 156 total cpu time spent up to now is 121.9 secs Computing kpt #: 157 total cpu time spent up to now is 122.7 secs Computing kpt #: 158 total cpu time spent up to now is 123.4 secs Computing kpt #: 159 total cpu time spent up to now is 124.2 secs Computing kpt #: 160 total cpu time spent up to now is 124.9 secs Computing kpt #: 161 total cpu time spent up to now is 125.8 secs Computing kpt #: 162 total cpu time spent up to now is 126.6 secs Computing kpt #: 163 total cpu time spent up to now is 127.3 secs Computing kpt #: 164 total cpu time spent up to now is 128.1 secs Computing kpt #: 165 total cpu time spent up to now is 128.9 secs Computing kpt #: 166 total cpu time spent up to now is 129.7 secs Computing kpt #: 167 total cpu time spent up to now is 130.5 secs Computing kpt #: 168 total cpu time spent up to now is 131.3 secs Computing kpt #: 169 total cpu time spent up to now is 132.1 secs Computing kpt #: 170 total cpu time spent up to now is 132.9 secs Computing kpt #: 171 total cpu time spent up to now is 133.7 secs Computing kpt #: 172 total cpu time spent up to now is 134.4 secs Computing kpt #: 173 total cpu time spent up to now is 135.1 secs Computing kpt #: 174 total cpu time spent up to now is 135.7 secs Computing kpt #: 175 total cpu time spent up to now is 136.4 secs Computing kpt #: 176 total cpu time spent up to now is 137.1 secs Computing kpt #: 177 total cpu time spent up to now is 137.8 secs Computing kpt #: 178 total cpu time spent up to now is 138.5 secs Computing kpt #: 179 total cpu time spent up to now is 139.2 secs Computing kpt #: 180 total cpu time spent up to now is 140.2 secs Computing kpt #: 181 total cpu time spent up to now is 141.3 secs Computing kpt #: 182 total cpu time spent up to now is 142.3 secs Computing kpt #: 183 total cpu time spent up to now is 143.2 secs Computing kpt #: 184 total cpu time spent up to now is 144.1 secs Computing kpt #: 185 total cpu time spent up to now is 145.1 secs Computing kpt #: 186 total cpu time spent up to now is 146.0 secs Computing kpt #: 187 total cpu time spent up to now is 146.9 secs Computing kpt #: 188 total cpu time spent up to now is 147.8 secs Computing kpt #: 189 total cpu time spent up to now is 148.8 secs Computing kpt #: 190 total cpu time spent up to now is 149.7 secs Computing kpt #: 191 total cpu time spent up to now is 150.6 secs Computing kpt #: 192 total cpu time spent up to now is 151.4 secs Computing kpt #: 193 total cpu time spent up to now is 152.3 secs Computing kpt #: 194 total cpu time spent up to now is 153.1 secs Computing kpt #: 195 total cpu time spent up to now is 153.9 secs Computing kpt #: 196 total cpu time spent up to now is 154.8 secs Computing kpt #: 197 total cpu time spent up to now is 155.6 secs Computing kpt #: 198 total cpu time spent up to now is 156.4 secs Computing kpt #: 199 total cpu time spent up to now is 157.3 secs Computing kpt #: 200 total cpu time spent up to now is 158.1 secs Computing kpt #: 201 total cpu time spent up to now is 158.9 secs Computing kpt #: 202 total cpu time spent up to now is 159.8 secs Computing kpt #: 203 total cpu time spent up to now is 160.6 secs Computing kpt #: 204 total cpu time spent up to now is 161.4 secs Computing kpt #: 205 total cpu time spent up to now is 162.3 secs Computing kpt #: 206 total cpu time spent up to now is 163.1 secs Computing kpt #: 207 total cpu time spent up to now is 163.9 secs Computing kpt #: 208 total cpu time spent up to now is 164.8 secs Computing kpt #: 209 total cpu time spent up to now is 165.6 secs Computing kpt #: 210 total cpu time spent up to now is 166.4 secs Computing kpt #: 211 total cpu time spent up to now is 167.2 secs Computing kpt #: 212 total cpu time spent up to now is 168.1 secs Computing kpt #: 213 total cpu time spent up to now is 168.9 secs Computing kpt #: 214 total cpu time spent up to now is 169.7 secs Computing kpt #: 215 total cpu time spent up to now is 170.7 secs Computing kpt #: 216 total cpu time spent up to now is 171.6 secs Computing kpt #: 217 total cpu time spent up to now is 172.7 secs Computing kpt #: 218 total cpu time spent up to now is 173.7 secs Computing kpt #: 219 total cpu time spent up to now is 174.6 secs Computing kpt #: 220 total cpu time spent up to now is 175.5 secs Computing kpt #: 221 total cpu time spent up to now is 176.3 secs Computing kpt #: 222 total cpu time spent up to now is 177.2 secs Computing kpt #: 223 total cpu time spent up to now is 178.0 secs Computing kpt #: 224 total cpu time spent up to now is 178.8 secs Computing kpt #: 225 total cpu time spent up to now is 179.7 secs Computing kpt #: 226 total cpu time spent up to now is 180.5 secs Computing kpt #: 227 total cpu time spent up to now is 181.3 secs Computing kpt #: 228 total cpu time spent up to now is 182.1 secs Computing kpt #: 229 total cpu time spent up to now is 183.0 secs Computing kpt #: 230 total cpu time spent up to now is 183.8 secs Computing kpt #: 231 total cpu time spent up to now is 184.7 secs Computing kpt #: 232 total cpu time spent up to now is 185.4 secs Computing kpt #: 233 total cpu time spent up to now is 186.2 secs Computing kpt #: 234 total cpu time spent up to now is 187.0 secs Computing kpt #: 235 total cpu time spent up to now is 187.8 secs Computing kpt #: 236 total cpu time spent up to now is 188.7 secs Computing kpt #: 237 total cpu time spent up to now is 189.5 secs Computing kpt #: 238 total cpu time spent up to now is 190.4 secs Computing kpt #: 239 total cpu time spent up to now is 191.2 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.2 secs Computing kpt #: 241 total cpu time spent up to now is 194.5 secs Computing kpt #: 242 total cpu time spent up to now is 195.2 secs Computing kpt #: 243 total cpu time spent up to now is 196.0 secs Computing kpt #: 244 total cpu time spent up to now is 196.9 secs Computing kpt #: 245 total cpu time spent up to now is 197.6 secs Computing kpt #: 246 total cpu time spent up to now is 198.3 secs Computing kpt #: 247 total cpu time spent up to now is 199.1 secs Computing kpt #: 248 total cpu time spent up to now is 199.9 secs Computing kpt #: 249 total cpu time spent up to now is 200.7 secs Computing kpt #: 250 total cpu time spent up to now is 201.4 secs Computing kpt #: 251 total cpu time spent up to now is 202.0 secs Computing kpt #: 252 total cpu time spent up to now is 202.7 secs Computing kpt #: 253 total cpu time spent up to now is 203.4 secs Computing kpt #: 254 total cpu time spent up to now is 204.2 secs Computing kpt #: 255 total cpu time spent up to now is 204.9 secs Computing kpt #: 256 total cpu time spent up to now is 205.6 secs Computing kpt #: 257 total cpu time spent up to now is 206.2 secs Computing kpt #: 258 total cpu time spent up to now is 206.9 secs Computing kpt #: 259 total cpu time spent up to now is 207.6 secs Computing kpt #: 260 total cpu time spent up to now is 208.2 secs Computing kpt #: 261 total cpu time spent up to now is 208.9 secs Computing kpt #: 262 total cpu time spent up to now is 209.6 secs Computing kpt #: 263 total cpu time spent up to now is 210.4 secs Computing kpt #: 264 total cpu time spent up to now is 211.2 secs Computing kpt #: 265 total cpu time spent up to now is 212.0 secs Computing kpt #: 266 total cpu time spent up to now is 212.8 secs Computing kpt #: 267 total cpu time spent up to now is 213.6 secs Computing kpt #: 268 total cpu time spent up to now is 214.3 secs Computing kpt #: 269 total cpu time spent up to now is 215.0 secs Computing kpt #: 270 total cpu time spent up to now is 215.8 secs Computing kpt #: 271 total cpu time spent up to now is 216.6 secs Computing kpt #: 272 total cpu time spent up to now is 217.4 secs Computing kpt #: 273 total cpu time spent up to now is 218.2 secs Computing kpt #: 274 total cpu time spent up to now is 219.0 secs Computing kpt #: 275 total cpu time spent up to now is 219.8 secs Computing kpt #: 276 total cpu time spent up to now is 220.7 secs Computing kpt #: 277 total cpu time spent up to now is 221.5 secs Computing kpt #: 278 total cpu time spent up to now is 222.3 secs Computing kpt #: 279 total cpu time spent up to now is 223.1 secs Computing kpt #: 280 total cpu time spent up to now is 223.9 secs Computing kpt #: 281 total cpu time spent up to now is 224.7 secs Computing kpt #: 282 total cpu time spent up to now is 225.6 secs Computing kpt #: 283 total cpu time spent up to now is 226.4 secs Computing kpt #: 284 total cpu time spent up to now is 227.3 secs Computing kpt #: 285 total cpu time spent up to now is 228.1 secs Computing kpt #: 286 total cpu time spent up to now is 228.9 secs Computing kpt #: 287 total cpu time spent up to now is 229.6 secs Computing kpt #: 288 total cpu time spent up to now is 230.5 secs ethr = 1.92E-08, avg # of iterations = 23.1 total cpu time spent up to now is 230.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5565 PWs) bands (ev): -19.6194 -19.6194 -19.6123 -19.6123 -6.2708 -6.2708 -6.1902 -6.1902 -4.4619 -4.4619 -4.2151 -4.2151 -4.0919 -4.0919 -4.0727 -4.0727 -0.4758 -0.4758 0.2560 0.2560 0.8415 0.8415 0.8634 0.8634 0.9454 0.9454 1.0252 1.0252 1.1662 1.1662 1.1869 1.1869 1.2478 1.2478 1.2719 1.2719 1.3063 1.3063 1.5168 1.5168 5.1214 5.1214 7.6817 7.6817 7.8950 7.8950 7.9016 7.9016 8.3767 8.3767 8.5928 8.5928 8.6330 8.6330 9.2882 9.2882 9.6353 9.6353 10.0307 10.0307 10.0678 10.0678 k = 0.0119 0.0069-0.0000 ( 5575 PWs) bands (ev): -19.6193 -19.6193 -19.6122 -19.6122 -6.2709 -6.2709 -6.1904 -6.1904 -4.4619 -4.4619 -4.2152 -4.2152 -4.0925 -4.0925 -4.0732 -4.0732 -0.4743 -0.4743 0.2561 0.2561 0.8416 0.8416 0.8634 0.8634 0.9455 0.9455 1.0251 1.0251 1.1664 1.1664 1.1869 1.1869 1.2478 1.2478 1.2718 1.2718 1.3065 1.3065 1.5170 1.5170 5.1239 5.1239 7.6803 7.6803 7.8795 7.8795 7.8983 7.8983 8.3786 8.3786 8.5704 8.5704 8.6159 8.6159 9.3060 9.3060 9.6597 9.6597 10.0411 10.0411 10.0776 10.0776 k = 0.0238 0.0137-0.0000 ( 5581 PWs) bands (ev): -19.6192 -19.6192 -19.6120 -19.6120 -6.2712 -6.2712 -6.1910 -6.1910 -4.4618 -4.4618 -4.2156 -4.2156 -4.0943 -4.0943 -4.0748 -4.0748 -0.4696 -0.4696 0.2562 0.2562 0.8421 0.8421 0.8634 0.8634 0.9458 0.9458 1.0247 1.0247 1.1670 1.1670 1.1870 1.1870 1.2479 1.2479 1.2715 1.2715 1.3070 1.3070 1.5177 1.5177 5.1314 5.1314 7.6762 7.6762 7.8278 7.8278 7.8960 7.8960 8.3836 8.3836 8.4933 8.4933 8.5850 8.5850 9.3565 9.3565 9.7200 9.7200 10.0736 10.0736 10.1081 10.1081 k = 0.0357 0.0206-0.0000 ( 5573 PWs) bands (ev): -19.6189 -19.6189 -19.6118 -19.6118 -6.2716 -6.2716 -6.1920 -6.1920 -4.4616 -4.4616 -4.2162 -4.2162 -4.0974 -4.0974 -4.0773 -4.0773 -0.4619 -0.4619 0.2565 0.2565 0.8428 0.8428 0.8636 0.8636 0.9463 0.9463 1.0242 1.0242 1.1679 1.1679 1.1873 1.1873 1.2481 1.2481 1.2711 1.2711 1.3080 1.3080 1.5187 1.5187 5.1439 5.1439 7.6691 7.6691 7.7488 7.7488 7.8928 7.8928 8.3643 8.3643 8.4032 8.4032 8.5457 8.5457 9.4321 9.4321 9.7898 9.7898 10.1280 10.1280 10.1666 10.1666 k = 0.0476 0.0275-0.0000 ( 5577 PWs) bands (ev): -19.6185 -19.6185 -19.6114 -19.6114 -6.2722 -6.2722 -6.1934 -6.1934 -4.4614 -4.4614 -4.2171 -4.2171 -4.1015 -4.1015 -4.0808 -4.0808 -0.4513 -0.4513 0.2568 0.2568 0.8437 0.8437 0.8637 0.8637 0.9471 0.9471 1.0234 1.0234 1.1692 1.1692 1.1877 1.1877 1.2483 1.2483 1.2705 1.2705 1.3093 1.3093 1.5202 1.5202 5.1614 5.1614 7.6437 7.6437 7.6656 7.6656 7.8883 7.8883 8.2289 8.2289 8.4106 8.4106 8.4965 8.4965 9.5225 9.5225 9.8518 9.8518 10.1940 10.1940 10.2645 10.2645 k = 0.0595 0.0344-0.0000 ( 5571 PWs) bands (ev): -19.6181 -19.6181 -19.6110 -19.6110 -6.2730 -6.2730 -6.1952 -6.1952 -4.4610 -4.4610 -4.2184 -4.2184 -4.1066 -4.1066 -4.0852 -4.0852 -0.4376 -0.4376 0.2573 0.2573 0.8449 0.8449 0.8638 0.8638 0.9481 0.9481 1.0225 1.0225 1.1708 1.1708 1.1881 1.1881 1.2486 1.2486 1.2698 1.2698 1.3110 1.3110 1.5222 1.5222 5.1836 5.1836 7.5344 7.5344 7.6502 7.6502 7.8825 7.8825 8.0755 8.0755 8.4273 8.4273 8.4392 8.4392 9.6153 9.6153 9.9088 9.9088 10.2638 10.2638 10.3147 10.3147 k = 0.0714 0.0412-0.0000 ( 5563 PWs) bands (ev): -19.6175 -19.6175 -19.6104 -19.6104 -6.2740 -6.2740 -6.1973 -6.1973 -4.4607 -4.4607 -4.2200 -4.2200 -4.1127 -4.1127 -4.0906 -4.0906 -0.4210 -0.4210 0.2579 0.2579 0.8464 0.8464 0.8640 0.8640 0.9493 0.9493 1.0215 1.0215 1.1727 1.1727 1.1887 1.1887 1.2489 1.2489 1.2690 1.2690 1.3131 1.3131 1.5246 1.5246 5.2106 5.2106 7.4122 7.4122 7.6362 7.6362 7.8747 7.8747 7.9156 7.9156 8.3754 8.3754 8.4480 8.4480 9.6957 9.6957 9.9757 9.9757 10.2348 10.2348 10.3588 10.3588 k = 0.0833 0.0481-0.0000 ( 5559 PWs) bands (ev): -19.6168 -19.6168 -19.6098 -19.6098 -6.2751 -6.2751 -6.1999 -6.1999 -4.4602 -4.4602 -4.2221 -4.2221 -4.1195 -4.1195 -4.0968 -4.0968 -0.4017 -0.4017 0.2586 0.2586 0.8480 0.8480 0.8643 0.8643 0.9507 0.9507 1.0204 1.0204 1.1748 1.1748 1.1893 1.1893 1.2493 1.2493 1.2681 1.2681 1.3155 1.3155 1.5274 1.5274 5.2423 5.2423 7.2834 7.2834 7.6204 7.6204 7.7505 7.7505 7.8668 7.8668 8.3075 8.3075 8.4719 8.4719 9.7527 9.7527 10.0634 10.0634 10.1586 10.1586 10.4491 10.4491 k = 0.0952 0.0550-0.0000 ( 5553 PWs) bands (ev): -19.6160 -19.6160 -19.6090 -19.6090 -6.2765 -6.2765 -6.2028 -6.2028 -4.4598 -4.4598 -4.2248 -4.2248 -4.1269 -4.1269 -4.1037 -4.1037 -0.3797 -0.3797 0.2594 0.2594 0.8499 0.8499 0.8645 0.8645 0.9524 0.9524 1.0193 1.0193 1.1772 1.1772 1.1901 1.1901 1.2498 1.2498 1.2671 1.2671 1.3183 1.3183 1.5307 1.5307 5.2785 5.2785 7.1503 7.1503 7.5848 7.5848 7.6031 7.6031 7.8560 7.8560 8.2370 8.2370 8.4987 8.4987 9.7881 9.7881 10.0731 10.0731 10.1725 10.1725 10.5464 10.5464 k = 0.1071 0.0619-0.0000 ( 5545 PWs) bands (ev): -19.6152 -19.6152 -19.6082 -19.6082 -6.2780 -6.2780 -6.2061 -6.2061 -4.4592 -4.4592 -4.2282 -4.2282 -4.1346 -4.1346 -4.1114 -4.1114 -0.3551 -0.3551 0.2605 0.2605 0.8520 0.8520 0.8649 0.8649 0.9542 0.9542 1.0182 1.0182 1.1797 1.1797 1.1910 1.1910 1.2502 1.2502 1.2661 1.2661 1.3215 1.3215 1.5345 1.5345 5.3190 5.3190 7.0145 7.0145 7.4194 7.4194 7.5836 7.5836 7.8432 7.8432 8.1653 8.1653 8.5279 8.5279 9.8100 9.8100 9.9876 9.9876 10.2846 10.2846 10.6472 10.6472 k = 0.1190 0.0687-0.0000 ( 5543 PWs) bands (ev): -19.6142 -19.6142 -19.6073 -19.6073 -6.2797 -6.2797 -6.2097 -6.2097 -4.4587 -4.4587 -4.2324 -4.2324 -4.1424 -4.1424 -4.1197 -4.1197 -0.3280 -0.3280 0.2616 0.2616 0.8542 0.8542 0.8652 0.8652 0.9563 0.9563 1.0172 1.0172 1.1824 1.1824 1.1920 1.1920 1.2507 1.2507 1.2651 1.2651 1.3251 1.3251 1.5388 1.5388 5.3637 5.3637 6.8767 6.8767 7.2546 7.2546 7.5630 7.5630 7.8279 7.8279 8.0938 8.0938 8.5590 8.5590 9.8242 9.8242 9.8999 9.8999 10.3921 10.3921 10.7327 10.7327 k = 0.1310 0.0756-0.0000 ( 5535 PWs) bands (ev): -19.6132 -19.6132 -19.6063 -19.6063 -6.2816 -6.2816 -6.2136 -6.2136 -4.4582 -4.4582 -4.2378 -4.2378 -4.1500 -4.1500 -4.1285 -4.1285 -0.2987 -0.2987 0.2630 0.2630 0.8565 0.8565 0.8657 0.8657 0.9585 0.9585 1.0163 1.0163 1.1852 1.1852 1.1931 1.1931 1.2512 1.2512 1.2641 1.2641 1.3291 1.3291 1.5436 1.5436 5.4124 5.4124 6.7377 6.7377 7.0913 7.0913 7.5412 7.5412 7.8091 7.8091 8.0243 8.0243 8.5914 8.5914 9.8077 9.8077 9.8381 9.8381 10.4834 10.4834 10.7851 10.7851 k = 0.1429 0.0825-0.0000 ( 5539 PWs) bands (ev): -19.6121 -19.6121 -19.6052 -19.6052 -6.2837 -6.2837 -6.2178 -6.2178 -4.4576 -4.4576 -4.2443 -4.2443 -4.1571 -4.1571 -4.1378 -4.1378 -0.2672 -0.2672 0.2645 0.2645 0.8589 0.8589 0.8661 0.8661 0.9610 0.9610 1.0155 1.0155 1.1880 1.1880 1.1944 1.1944 1.2517 1.2517 1.2631 1.2631 1.3336 1.3336 1.5490 1.5490 5.4648 5.4648 6.5978 6.5978 6.9302 6.9302 7.5184 7.5184 7.7849 7.7849 7.9590 7.9590 8.6242 8.6242 9.7206 9.7206 9.8448 9.8448 10.5488 10.5488 10.8367 10.8367 k = 0.1548 0.0894-0.0000 ( 5543 PWs) bands (ev): -19.6110 -19.6110 -19.6041 -19.6041 -6.2859 -6.2859 -6.2224 -6.2224 -4.4571 -4.4571 -4.2522 -4.2522 -4.1635 -4.1635 -4.1475 -4.1475 -0.2338 -0.2338 0.2662 0.2662 0.8613 0.8613 0.8667 0.8667 0.9637 0.9637 1.0150 1.0150 1.1908 1.1908 1.1958 1.1958 1.2522 1.2522 1.2622 1.2622 1.3386 1.3386 1.5549 1.5549 5.5208 5.5208 6.4574 6.4574 6.7718 6.7718 7.4949 7.4949 7.7525 7.7525 7.9015 7.9015 8.6565 8.6565 9.6325 9.6325 9.8521 9.8521 10.5844 10.5844 10.8916 10.8916 k = 0.1667 0.0962-0.0000 ( 5539 PWs) bands (ev): -19.6097 -19.6097 -19.6029 -19.6029 -6.2884 -6.2884 -6.2272 -6.2272 -4.4567 -4.4567 -4.2614 -4.2614 -4.1690 -4.1690 -4.1574 -4.1574 -0.1986 -0.1986 0.2682 0.2682 0.8637 0.8637 0.8673 0.8673 0.9666 0.9666 1.0147 1.0147 1.1935 1.1935 1.1975 1.1975 1.2526 1.2526 1.2615 1.2615 1.3442 1.3442 1.5614 1.5614 5.5801 5.5801 6.3166 6.3166 6.6164 6.6164 7.4709 7.4709 7.7090 7.7090 7.8549 7.8549 8.6870 8.6870 9.5454 9.5454 9.8593 9.8593 10.5943 10.5943 10.9502 10.9502 k = 0.1786 0.1031-0.0000 ( 5529 PWs) bands (ev): -19.6085 -19.6085 -19.6017 -19.6017 -6.2910 -6.2910 -6.2323 -6.2323 -4.4563 -4.4563 -4.2719 -4.2719 -4.1737 -4.1737 -4.1673 -4.1673 -0.1618 -0.1618 0.2704 0.2704 0.8661 0.8661 0.8681 0.8681 0.9697 0.9697 1.0147 1.0147 1.1960 1.1960 1.1994 1.1994 1.2530 1.2530 1.2609 1.2609 1.3504 1.3504 1.5685 1.5685 5.6424 5.6424 6.1756 6.1756 6.4644 6.4644 7.4465 7.4465 7.6552 7.6552 7.8188 7.8188 8.7145 8.7145 9.4598 9.4598 9.8675 9.8675 10.5880 10.5880 11.0124 11.0124 k = 0.1905 0.1100-0.0000 ( 5537 PWs) bands (ev): -19.6071 -19.6071 -19.6004 -19.6004 -6.2938 -6.2938 -6.2375 -6.2375 -4.4561 -4.4561 -4.2835 -4.2835 -4.1783 -4.1783 -4.1767 -4.1767 -0.1238 -0.1238 0.2728 0.2728 0.8684 0.8684 0.8690 0.8690 0.9730 0.9730 1.0149 1.0149 1.1983 1.1983 1.2016 1.2016 1.2531 1.2531 1.2606 1.2606 1.3573 1.3573 1.5763 1.5763 5.7074 5.7074 6.0345 6.0345 6.3162 6.3162 7.4221 7.4221 7.5951 7.5951 7.7897 7.7897 8.7375 8.7375 9.3759 9.3759 9.8774 9.8774 10.5748 10.5748 11.0780 11.0780 k = 0.2024 0.1168-0.0000 ( 5533 PWs) bands (ev): -19.6058 -19.6058 -19.5991 -19.5991 -6.2967 -6.2967 -6.2430 -6.2430 -4.4560 -4.4560 -4.2960 -4.2960 -4.1877 -4.1877 -4.1805 -4.1805 -0.0846 -0.0846 0.2754 0.2754 0.8697 0.8697 0.8708 0.8708 0.9766 0.9766 1.0156 1.0156 1.2005 1.2005 1.2040 1.2040 1.2531 1.2531 1.2606 1.2606 1.3650 1.3650 1.5846 1.5846 5.7743 5.7743 5.8937 5.8937 6.1719 6.1719 7.3979 7.3979 7.5323 7.5323 7.7641 7.7641 8.7547 8.7547 9.2941 9.2941 9.8901 9.8901 10.5615 10.5615 11.1468 11.1468 k = 0.2143 0.1237-0.0000 ( 5545 PWs) bands (ev): -19.6044 -19.6044 -19.5977 -19.5977 -6.2998 -6.2998 -6.2487 -6.2487 -4.4562 -4.4562 -4.3092 -4.3092 -4.1974 -4.1974 -4.1832 -4.1832 -0.0447 -0.0447 0.2783 0.2783 0.8708 0.8708 0.8729 0.8729 0.9805 0.9805 1.0165 1.0165 1.2025 1.2025 1.2064 1.2064 1.2530 1.2530 1.2609 1.2609 1.3736 1.3736 1.5937 1.5937 5.7511 5.7511 5.8448 5.8448 6.0323 6.0323 7.3739 7.3739 7.4690 7.4690 7.7401 7.7401 8.7648 8.7648 9.2144 9.2144 9.9067 9.9067 10.5524 10.5524 11.2183 11.2183 k = 0.2262 0.1306-0.0000 ( 5565 PWs) bands (ev): -19.6029 -19.6029 -19.5963 -19.5963 -6.3030 -6.3030 -6.2545 -6.2545 -4.4565 -4.4565 -4.3228 -4.3228 -4.2070 -4.2070 -4.1853 -4.1853 -0.0043 -0.0043 0.2815 0.2815 0.8720 0.8720 0.8748 0.8748 0.9846 0.9846 1.0178 1.0178 1.2046 1.2046 1.2088 1.2088 1.2528 1.2528 1.2614 1.2614 1.3834 1.3834 1.6034 1.6034 5.6111 5.6111 5.8850 5.8850 5.9266 5.9266 7.3503 7.3503 7.4066 7.4066 7.7169 7.7169 8.7670 8.7670 9.1371 9.1371 9.9278 9.9278 10.5503 10.5503 11.2918 11.2918 k = 0.2381 0.1375-0.0000 ( 5565 PWs) bands (ev): -19.6015 -19.6015 -19.5950 -19.5950 -6.3063 -6.3063 -6.2605 -6.2605 -4.4572 -4.4572 -4.3366 -4.3366 -4.2161 -4.2161 -4.1871 -4.1871 0.0363 0.0363 0.2850 0.2850 0.8733 0.8733 0.8765 0.8765 0.9891 0.9891 1.0194 1.0194 1.2068 1.2068 1.2111 1.2111 1.2526 1.2526 1.2621 1.2621 1.3943 1.3943 1.6138 1.6138 5.4712 5.4712 5.7606 5.7606 5.9915 5.9915 7.3260 7.3260 7.3472 7.3472 7.6941 7.6941 8.7610 8.7610 9.0621 9.0621 9.9537 9.9537 10.5570 10.5570 11.3659 11.3659 k = 0.2500 0.1443-0.0000 ( 5557 PWs) bands (ev): -19.6000 -19.6000 -19.5936 -19.5936 -6.3097 -6.3097 -6.2665 -6.2665 -4.4582 -4.4582 -4.3506 -4.3506 -4.2247 -4.2247 -4.1885 -4.1885 0.0766 0.0766 0.2889 0.2889 0.8748 0.8748 0.8781 0.8781 0.9940 0.9940 1.0213 1.0213 1.2090 1.2090 1.2133 1.2133 1.2525 1.2525 1.2629 1.2629 1.4067 1.4067 1.6250 1.6250 5.3322 5.3322 5.6329 5.6329 6.0646 6.0646 7.2821 7.2821 7.3101 7.3101 7.6715 7.6715 8.7470 8.7470 8.9895 8.9895 9.9838 9.9838 10.5734 10.5734 11.4368 11.4368 k = 0.2619 0.1512-0.0000 ( 5557 PWs) bands (ev): -19.5986 -19.5986 -19.5921 -19.5921 -6.3132 -6.3132 -6.2725 -6.2725 -4.4596 -4.4596 -4.3646 -4.3646 -4.2327 -4.2327 -4.1897 -4.1897 0.1163 0.1163 0.2932 0.2932 0.8764 0.8764 0.8794 0.8794 0.9991 0.9991 1.0234 1.0234 1.2113 1.2113 1.2152 1.2152 1.2525 1.2525 1.2639 1.2639 1.4207 1.4207 1.6369 1.6369 5.1945 5.1945 5.5089 5.5089 6.1387 6.1387 7.2256 7.2256 7.2891 7.2891 7.6490 7.6490 8.7257 8.7257 8.9194 8.9194 10.0174 10.0174 10.6004 10.6004 11.4004 11.4004 k = 0.2738 0.1581-0.0000 ( 5553 PWs) bands (ev): -19.5971 -19.5971 -19.5908 -19.5908 -6.3168 -6.3168 -6.2786 -6.2786 -4.4614 -4.4614 -4.3784 -4.3784 -4.2401 -4.2401 -4.1907 -4.1907 0.1548 0.1548 0.2980 0.2980 0.8781 0.8781 0.8805 0.8805 1.0047 1.0047 1.0257 1.0257 1.2137 1.2137 1.2170 1.2170 1.2527 1.2527 1.2649 1.2649 1.4365 1.4365 1.6497 1.6497 5.0582 5.0582 5.3887 5.3887 6.2128 6.2128 7.1703 7.1703 7.2709 7.2709 7.6267 7.6267 8.6984 8.6984 8.8516 8.8516 10.0531 10.0531 10.6383 10.6383 11.3415 11.3415 k = 0.2857 0.1650-0.0000 ( 5549 PWs) bands (ev): -19.5957 -19.5957 -19.5894 -19.5894 -6.3204 -6.3204 -6.2847 -6.2847 -4.4636 -4.4636 -4.3920 -4.3920 -4.2467 -4.2467 -4.1915 -4.1915 0.1915 0.1915 0.3038 0.3038 0.8798 0.8798 0.8816 0.8816 1.0105 1.0105 1.0282 1.0282 1.2161 1.2161 1.2185 1.2185 1.2530 1.2530 1.2660 1.2660 1.4543 1.4543 1.6633 1.6633 4.9237 4.9237 5.2726 5.2726 6.2862 6.2862 7.1171 7.1171 7.2551 7.2551 7.6047 7.6047 8.6662 8.6662 8.7862 8.7862 10.0895 10.0895 10.6873 10.6873 11.2814 11.2814 k = 0.2976 0.1718-0.0000 ( 5553 PWs) bands (ev): -19.5943 -19.5943 -19.5880 -19.5880 -6.3240 -6.3240 -6.2907 -6.2907 -4.4662 -4.4662 -4.4052 -4.4052 -4.2526 -4.2526 -4.1922 -4.1922 0.2252 0.2252 0.3112 0.3112 0.8813 0.8813 0.8828 0.8828 1.0167 1.0167 1.0308 1.0308 1.2185 1.2185 1.2199 1.2199 1.2534 1.2534 1.2672 1.2672 1.4743 1.4743 1.6778 1.6778 4.7912 4.7912 5.1606 5.1606 6.3582 6.3582 7.0663 7.0663 7.2420 7.2420 7.5831 7.5831 8.6304 8.6304 8.7230 8.7230 10.1255 10.1255 10.7469 10.7469 11.2219 11.2219 k = 0.3095 0.1787-0.0000 ( 5545 PWs) bands (ev): -19.5929 -19.5929 -19.5867 -19.5867 -6.3276 -6.3276 -6.2966 -6.2966 -4.4692 -4.4692 -4.4180 -4.4180 -4.2577 -4.2577 -4.1927 -4.1927 0.2541 0.2541 0.3216 0.3216 0.8821 0.8821 0.8846 0.8846 1.0230 1.0230 1.0335 1.0335 1.2205 1.2205 1.2215 1.2215 1.2540 1.2540 1.2684 1.2684 1.4967 1.4967 1.6934 1.6934 4.6609 4.6609 5.0527 5.0527 6.4278 6.4278 7.0179 7.0179 7.2324 7.2324 7.5620 7.5620 8.5924 8.5924 8.6620 8.6620 10.1602 10.1602 10.8162 10.8162 11.1644 11.1644 k = 0.3214 0.1856-0.0000 ( 5545 PWs) bands (ev): -19.5916 -19.5916 -19.5854 -19.5854 -6.3312 -6.3312 -6.3024 -6.3024 -4.4726 -4.4726 -4.4304 -4.4304 -4.2621 -4.2621 -4.1931 -4.1931 0.2759 0.2759 0.3372 0.3372 0.8825 0.8825 0.8866 0.8866 1.0295 1.0295 1.0363 1.0363 1.2216 1.2216 1.2238 1.2238 1.2547 1.2547 1.2696 1.2696 1.5215 1.5215 1.7101 1.7101 4.5330 4.5330 4.9492 4.9492 6.4941 6.4941 6.9722 6.9722 7.2269 7.2269 7.5415 7.5415 8.5530 8.5530 8.6031 8.6031 10.1933 10.1933 10.8934 10.8934 11.1102 11.1102 k = 0.3333 0.1925-0.0000 ( 5553 PWs) bands (ev): -19.5903 -19.5903 -19.5841 -19.5841 -6.3347 -6.3347 -6.3080 -6.3080 -4.4762 -4.4762 -4.4421 -4.4421 -4.2657 -4.2657 -4.1935 -4.1935 0.2902 0.2902 0.3580 0.3580 0.8827 0.8827 0.8888 0.8888 1.0354 1.0354 1.0396 1.0396 1.2222 1.2222 1.2263 1.2263 1.2554 1.2554 1.2709 1.2709 1.5486 1.5486 1.7282 1.7282 4.4079 4.4079 4.8502 4.8502 6.5558 6.5558 6.9291 6.9291 7.2265 7.2265 7.5217 7.5217 8.5132 8.5132 8.5463 8.5463 10.2247 10.2247 10.9736 10.9736 11.0629 11.0629 k = 0.3452 0.1993-0.0000 ( 5550 PWs) bands (ev): -19.5891 -19.5891 -19.5830 -19.5830 -6.3382 -6.3382 -6.3134 -6.3134 -4.4801 -4.4801 -4.4532 -4.4532 -4.2686 -4.2686 -4.1938 -4.1938 0.2995 0.2995 0.3813 0.3813 0.8828 0.8828 0.8910 0.8910 1.0395 1.0395 1.0447 1.0447 1.2228 1.2228 1.2288 1.2288 1.2562 1.2562 1.2722 1.2722 1.5777 1.5777 1.7481 1.7481 4.2856 4.2856 4.7560 4.7560 6.6117 6.6117 6.8887 6.8887 7.2323 7.2323 7.5027 7.5027 8.4733 8.4733 8.4916 8.4916 10.2543 10.2543 10.9989 10.9989 11.0780 11.0780 k = 0.3571 0.2062-0.0000 ( 5536 PWs) bands (ev): -19.5879 -19.5879 -19.5818 -19.5818 -6.3415 -6.3415 -6.3186 -6.3186 -4.4842 -4.4842 -4.4637 -4.4637 -4.2709 -4.2709 -4.1940 -4.1940 0.3062 0.3062 0.4045 0.4045 0.8828 0.8828 0.8932 0.8932 1.0423 1.0423 1.0509 1.0509 1.2232 1.2232 1.2313 1.2313 1.2570 1.2570 1.2735 1.2735 1.6081 1.6081 1.7701 1.7701 4.1665 4.1665 4.6667 4.6667 6.6605 6.6605 6.8512 6.8512 7.2452 7.2452 7.4847 7.4847 8.4311 8.4311 8.4420 8.4420 10.2824 10.2824 10.9605 10.9605 11.1613 11.1613 k = 0.3690 0.2131-0.0000 ( 5542 PWs) bands (ev): -19.5868 -19.5868 -19.5807 -19.5807 -6.3446 -6.3446 -6.3235 -6.3235 -4.4883 -4.4883 -4.4734 -4.4734 -4.2727 -4.2727 -4.1941 -4.1941 0.3115 0.3115 0.4264 0.4264 0.8826 0.8826 0.8953 0.8953 1.0445 1.0445 1.0571 1.0571 1.2234 1.2234 1.2337 1.2337 1.2578 1.2578 1.2747 1.2747 1.6390 1.6390 1.7951 1.7951 4.0508 4.0508 4.5827 4.5827 6.7013 6.7013 6.8164 6.8164 7.2660 7.2660 7.4678 7.4678 8.3819 8.3819 8.4025 8.4025 10.3088 10.3088 10.9221 10.9221 11.2445 11.2445 k = 0.3810 0.2199-0.0000 ( 5552 PWs) bands (ev): -19.5857 -19.5857 -19.5798 -19.5798 -6.3476 -6.3476 -6.3281 -6.3281 -4.4925 -4.4925 -4.4822 -4.4822 -4.2740 -4.2740 -4.1943 -4.1943 0.3161 0.3161 0.4462 0.4462 0.8824 0.8824 0.8974 0.8974 1.0465 1.0465 1.0632 1.0632 1.2236 1.2236 1.2361 1.2361 1.2586 1.2586 1.2759 1.2759 1.6690 1.6690 1.8239 1.8239 3.9389 3.9389 4.5042 4.5042 6.7337 6.7337 6.7846 6.7846 7.2946 7.2946 7.4521 7.4521 8.3312 8.3312 8.3676 8.3676 10.3338 10.3338 10.8874 10.8874 11.3178 11.3178 k = 0.3929 0.2268-0.0000 ( 5552 PWs) bands (ev): -19.5848 -19.5848 -19.5788 -19.5788 -6.3504 -6.3504 -6.3323 -6.3323 -4.4969 -4.4969 -4.4901 -4.4901 -4.2750 -4.2750 -4.1943 -4.1943 0.3200 0.3200 0.4639 0.4639 0.8821 0.8821 0.8994 0.8994 1.0482 1.0482 1.0689 1.0689 1.2236 1.2236 1.2383 1.2383 1.2593 1.2593 1.2771 1.2771 1.6969 1.6969 1.8571 1.8571 3.8313 3.8313 4.4317 4.4317 6.7554 6.7554 6.7583 6.7583 7.3304 7.3304 7.4377 7.4377 8.2812 8.2812 8.3356 8.3356 10.3571 10.3571 10.8569 10.8569 11.3751 11.3751 k = 0.4048 0.2337-0.0000 ( 5562 PWs) bands (ev): -19.5839 -19.5839 -19.5780 -19.5780 -6.3530 -6.3530 -6.3362 -6.3362 -4.5016 -4.5016 -4.4965 -4.4965 -4.2756 -4.2756 -4.1944 -4.1944 0.3235 0.3235 0.4794 0.4794 0.8818 0.8818 0.9011 0.9011 1.0498 1.0498 1.0742 1.0742 1.2236 1.2236 1.2403 1.2403 1.2599 1.2599 1.2781 1.2781 1.7217 1.7217 1.8948 1.8948 3.7286 3.7286 4.3654 4.3654 6.7296 6.7296 6.7758 6.7758 7.3715 7.3715 7.4253 7.4253 8.2319 8.2319 8.3064 8.3064 10.3788 10.3788 10.8306 10.8306 11.4137 11.4137 k = 0.4167 0.2406-0.0000 ( 5562 PWs) bands (ev): -19.5831 -19.5831 -19.5772 -19.5772 -6.3553 -6.3553 -6.3397 -6.3397 -4.5069 -4.5069 -4.5013 -4.5013 -4.2760 -4.2760 -4.1944 -4.1944 0.3266 0.3266 0.4927 0.4927 0.8815 0.8815 0.9028 0.9028 1.0511 1.0511 1.0790 1.0790 1.2236 1.2236 1.2423 1.2423 1.2604 1.2604 1.2791 1.2791 1.7433 1.7433 1.9362 1.9362 3.6314 3.6314 4.3057 4.3057 6.7067 6.7067 6.7879 6.7879 7.4054 7.4054 7.4259 7.4259 8.1834 8.1834 8.2803 8.2803 10.3986 10.3986 10.8084 10.8084 11.4359 11.4359 k = 0.4286 0.2474-0.0000 ( 5556 PWs) bands (ev): -19.5825 -19.5825 -19.5766 -19.5766 -6.3574 -6.3574 -6.3428 -6.3428 -4.5122 -4.5122 -4.5050 -4.5050 -4.2762 -4.2762 -4.1944 -4.1944 0.3293 0.3293 0.5040 0.5040 0.8813 0.8813 0.9043 0.9043 1.0522 1.0522 1.0832 1.0832 1.2236 1.2236 1.2440 1.2440 1.2609 1.2609 1.2800 1.2800 1.7615 1.7615 1.9799 1.9799 3.5409 3.5409 4.2531 4.2531 6.6867 6.6867 6.7959 6.7959 7.3999 7.3999 7.4701 7.4701 8.1355 8.1355 8.2573 8.2573 10.4163 10.4163 10.7901 10.7901 11.4465 11.4465 k = 0.4405 0.2543-0.0000 ( 5548 PWs) bands (ev): -19.5819 -19.5819 -19.5760 -19.5760 -6.3592 -6.3592 -6.3455 -6.3455 -4.5169 -4.5169 -4.5079 -4.5079 -4.2762 -4.2762 -4.1944 -4.1944 0.3316 0.3316 0.5133 0.5133 0.8810 0.8810 0.9056 0.9056 1.0532 1.0532 1.0868 1.0868 1.2235 1.2235 1.2456 1.2456 1.2612 1.2612 1.2808 1.2808 1.7767 1.7767 2.0238 2.0238 3.4584 3.4584 4.2078 4.2078 6.6697 6.6697 6.8010 6.8010 7.3916 7.3916 7.5198 7.5198 8.0884 8.0884 8.2377 8.2377 10.4318 10.4318 10.7755 10.7755 11.4501 11.4501 k = 0.4524 0.2612-0.0000 ( 5564 PWs) bands (ev): -19.5814 -19.5814 -19.5755 -19.5755 -6.3606 -6.3606 -6.3477 -6.3477 -4.5209 -4.5209 -4.5103 -4.5103 -4.2762 -4.2762 -4.1944 -4.1944 0.3334 0.3334 0.5207 0.5207 0.8808 0.8808 0.9066 0.9066 1.0539 1.0539 1.0898 1.0898 1.2234 1.2234 1.2469 1.2469 1.2615 1.2615 1.2814 1.2814 1.7890 1.7890 2.0658 2.0658 3.3856 3.3856 4.1702 4.1702 6.6558 6.6558 6.8041 6.8041 7.3844 7.3844 7.5696 7.5696 8.0424 8.0424 8.2214 8.2214 10.4448 10.4448 10.7641 10.7641 11.4500 11.4500 k = 0.4643 0.2681-0.0000 ( 5556 PWs) bands (ev): -19.5810 -19.5810 -19.5752 -19.5752 -6.3618 -6.3618 -6.3494 -6.3494 -4.5240 -4.5240 -4.5122 -4.5122 -4.2762 -4.2762 -4.1944 -4.1944 0.3349 0.3349 0.5264 0.5264 0.8806 0.8806 0.9074 0.9074 1.0545 1.0545 1.0921 1.0921 1.2233 1.2233 1.2479 1.2479 1.2617 1.2617 1.2820 1.2820 1.7986 1.7986 2.1031 2.1031 3.3248 3.3248 4.1406 4.1406 6.6450 6.6450 6.8059 6.8059 7.3787 7.3787 7.6175 7.6175 7.9984 7.9984 8.2087 8.2087 10.4552 10.4552 10.7558 10.7558 11.4484 11.4484 k = 0.4762 0.2749-0.0000 ( 5554 PWs) bands (ev): -19.5807 -19.5807 -19.5749 -19.5749 -6.3626 -6.3626 -6.3506 -6.3506 -4.5262 -4.5262 -4.5135 -4.5135 -4.2761 -4.2761 -4.1944 -4.1944 0.3360 0.3360 0.5304 0.5304 0.8805 0.8805 0.9080 0.9080 1.0549 1.0549 1.0938 1.0938 1.2233 1.2233 1.2487 1.2487 1.2618 1.2618 1.2824 1.2824 1.8055 1.8055 2.1328 2.1328 3.2785 3.2785 4.1192 4.1192 6.6373 6.6373 6.8069 6.8069 7.3746 7.3746 7.6606 7.6606 7.9585 7.9585 8.1996 8.1996 10.4627 10.4627 10.7500 10.7500 11.4465 11.4465 k = 0.4881 0.2818-0.0000 ( 5550 PWs) bands (ev): -19.5806 -19.5806 -19.5748 -19.5748 -6.3631 -6.3631 -6.3514 -6.3514 -4.5275 -4.5275 -4.5144 -4.5144 -4.2761 -4.2761 -4.1944 -4.1944 0.3366 0.3366 0.5328 0.5328 0.8804 0.8804 0.9084 0.9084 1.0552 1.0552 1.0948 1.0948 1.2232 1.2232 1.2492 1.2492 1.2619 1.2619 1.2826 1.2826 1.8096 1.8096 2.1520 2.1520 3.2493 3.2493 4.1063 4.1063 6.6326 6.6326 6.8074 6.8074 7.3721 7.3721 7.6935 7.6935 7.9277 7.9277 8.1941 8.1941 10.4672 10.4672 10.7467 10.7467 11.4450 11.4450 k = 0.5000 0.2887-0.0000 ( 5560 PWs) bands (ev): -19.5805 -19.5805 -19.5747 -19.5747 -6.3633 -6.3633 -6.3516 -6.3516 -4.5280 -4.5280 -4.5146 -4.5146 -4.2761 -4.2761 -4.1944 -4.1944 0.3368 0.3368 0.5336 0.5336 0.8804 0.8804 0.9085 0.9085 1.0552 1.0552 1.0951 1.0951 1.2232 1.2232 1.2493 1.2493 1.2619 1.2619 1.2826 1.2826 1.8110 1.8110 2.1587 2.1587 3.2393 3.2393 4.1020 4.1020 6.6311 6.6311 6.8075 6.8075 7.3713 7.3713 7.7066 7.7066 7.9153 7.9153 8.1923 8.1923 10.4687 10.4687 10.7456 10.7456 11.4445 11.4445 k = 0.5000 0.2887-0.0000 ( 5560 PWs) bands (ev): -19.5805 -19.5805 -19.5747 -19.5747 -6.3633 -6.3633 -6.3516 -6.3516 -4.5280 -4.5280 -4.5146 -4.5146 -4.2761 -4.2761 -4.1944 -4.1944 0.3368 0.3368 0.5336 0.5336 0.8804 0.8804 0.9085 0.9085 1.0552 1.0552 1.0951 1.0951 1.2232 1.2232 1.2493 1.2493 1.2619 1.2619 1.2826 1.2826 1.8110 1.8110 2.1587 2.1587 3.2393 3.2393 4.1020 4.1020 6.6311 6.6311 6.8075 6.8075 7.3713 7.3713 7.7066 7.7066 7.9153 7.9153 8.1923 8.1923 10.4687 10.4687 10.7456 10.7456 11.4445 11.4445 k = 0.4931 0.3007-0.0000 ( 5552 PWs) bands (ev): -19.5805 -19.5805 -19.5747 -19.5747 -6.3633 -6.3633 -6.3516 -6.3516 -4.5279 -4.5279 -4.5145 -4.5145 -4.2765 -4.2765 -4.1948 -4.1948 0.3373 0.3373 0.5338 0.5338 0.8804 0.8804 0.9085 0.9085 1.0535 1.0535 1.0968 1.0968 1.2232 1.2232 1.2493 1.2493 1.2618 1.2618 1.2827 1.2827 1.8117 1.8117 2.1592 2.1592 3.2408 3.2408 4.0997 4.0997 6.6298 6.6298 6.8093 6.8093 7.3485 7.3485 7.7088 7.7088 7.9145 7.9145 8.2137 8.2137 10.4745 10.4745 10.7193 10.7193 11.4529 11.4529 k = 0.4861 0.3127-0.0000 ( 5558 PWs) bands (ev): -19.5804 -19.5804 -19.5746 -19.5746 -6.3634 -6.3634 -6.3517 -6.3517 -4.5278 -4.5278 -4.5139 -4.5139 -4.2777 -4.2777 -4.1959 -4.1959 0.3388 0.3388 0.5347 0.5347 0.8804 0.8804 0.9084 0.9084 1.0489 1.0489 1.1010 1.1010 1.2232 1.2232 1.2492 1.2492 1.2616 1.2616 1.2827 1.2827 1.8139 1.8139 2.1605 2.1605 3.2450 3.2450 4.0928 4.0928 6.6259 6.6259 6.8147 6.8147 7.2863 7.2863 7.7153 7.7153 7.9121 7.9121 8.2719 8.2719 10.4909 10.4909 10.6512 10.6512 11.4749 11.4749 k = 0.4792 0.3248-0.0000 ( 5558 PWs) bands (ev): -19.5804 -19.5804 -19.5745 -19.5745 -6.3635 -6.3635 -6.3518 -6.3518 -4.5276 -4.5276 -4.5130 -4.5130 -4.2797 -4.2797 -4.1976 -4.1976 0.3412 0.3412 0.5362 0.5362 0.8804 0.8804 0.9082 0.9082 1.0425 1.0425 1.1066 1.1066 1.2232 1.2232 1.2490 1.2490 1.2612 1.2612 1.2827 1.2827 1.8176 1.8176 2.1627 2.1627 3.2521 3.2521 4.0815 4.0815 6.6197 6.6197 6.8237 6.8237 7.1968 7.1968 7.7262 7.7262 7.9082 7.9082 8.3548 8.3548 10.5045 10.5045 10.5721 10.5721 11.5094 11.5094 k = 0.4722 0.3368-0.0000 ( 5550 PWs) bands (ev): -19.5802 -19.5802 -19.5744 -19.5744 -6.3636 -6.3636 -6.3520 -6.3520 -4.5272 -4.5272 -4.5118 -4.5118 -4.2824 -4.2824 -4.2001 -4.2001 0.3445 0.3445 0.5382 0.5382 0.8804 0.8804 0.9080 0.9080 1.0353 1.0353 1.1129 1.1129 1.2233 1.2233 1.2488 1.2488 1.2608 1.2608 1.2827 1.2827 1.8228 1.8228 2.1657 2.1657 3.2618 3.2618 4.0658 4.0658 6.6112 6.6112 6.8362 6.8362 7.0905 7.0905 7.7414 7.7414 7.9028 7.9028 8.4524 8.4524 10.4312 10.4312 10.5788 10.5788 11.5564 11.5564 k = 0.4653 0.3488-0.0000 ( 5558 PWs) bands (ev): -19.5801 -19.5801 -19.5743 -19.5743 -6.3637 -6.3637 -6.3522 -6.3522 -4.5268 -4.5268 -4.5102 -4.5102 -4.2859 -4.2859 -4.2031 -4.2031 0.3486 0.3486 0.5408 0.5408 0.8804 0.8804 0.9077 0.9077 1.0274 1.0274 1.1195 1.1195 1.2233 1.2233 1.2485 1.2485 1.2602 1.2602 1.2826 1.2826 1.8295 1.8295 2.1695 2.1695 3.2742 3.2742 4.0461 4.0461 6.6008 6.6008 6.8522 6.8522 6.9742 6.9742 7.7605 7.7605 7.8960 7.8960 8.5582 8.5582 10.3202 10.3202 10.6282 10.6282 11.6153 11.6153 k = 0.4583 0.3608-0.0000 ( 5552 PWs) bands (ev): -19.5799 -19.5799 -19.5741 -19.5741 -6.3639 -6.3639 -6.3524 -6.3524 -4.5264 -4.5264 -4.5083 -4.5083 -4.2900 -4.2900 -4.2067 -4.2067 0.3536 0.3536 0.5440 0.5440 0.8804 0.8804 0.9074 0.9074 1.0193 1.0193 1.1263 1.1263 1.2234 1.2234 1.2481 1.2481 1.2595 1.2595 1.2826 1.2826 1.8376 1.8376 2.1740 2.1740 3.2890 3.2890 4.0227 4.0227 6.5887 6.5887 6.8522 6.8522 6.8714 6.8714 7.7833 7.7833 7.8883 7.8883 8.6686 8.6686 10.2045 10.2045 10.6902 10.6902 11.6851 11.6851 k = 0.4514 0.3729-0.0000 ( 5552 PWs) bands (ev): -19.5797 -19.5797 -19.5739 -19.5739 -6.3642 -6.3642 -6.3527 -6.3527 -4.5259 -4.5259 -4.5060 -4.5060 -4.2947 -4.2947 -4.2108 -4.2108 0.3592 0.3592 0.5477 0.5477 0.8804 0.8804 0.9071 0.9071 1.0110 1.0110 1.1329 1.1329 1.2234 1.2234 1.2477 1.2477 1.2588 1.2588 1.2825 1.2825 1.8471 1.8471 2.1792 2.1792 3.3061 3.3061 3.9958 3.9958 6.5753 6.5753 6.7272 6.7272 6.8937 6.8937 7.8083 7.8083 7.8809 7.8809 8.7817 8.7817 10.0882 10.0882 10.7615 10.7615 11.7644 11.7644 k = 0.4444 0.3849-0.0000 ( 5548 PWs) bands (ev): -19.5794 -19.5794 -19.5736 -19.5736 -6.3644 -6.3644 -6.3531 -6.3531 -4.5254 -4.5254 -4.5035 -4.5035 -4.3000 -4.3000 -4.2153 -4.2153 0.3654 0.3654 0.5519 0.5519 0.8804 0.8804 0.9066 0.9066 1.0027 1.0027 1.1395 1.1395 1.2235 1.2235 1.2471 1.2471 1.2581 1.2581 1.2823 1.2823 1.8581 1.8581 2.1850 2.1850 3.3254 3.3254 3.9661 3.9661 6.5600 6.5600 6.6019 6.6019 6.9189 6.9189 7.8302 7.8302 7.8791 7.8791 8.8962 8.8962 9.9731 9.9731 10.8399 10.8399 11.8512 11.8512 k = 0.4375 0.3969-0.0000 ( 5556 PWs) bands (ev): -19.5792 -19.5792 -19.5734 -19.5734 -6.3647 -6.3647 -6.3534 -6.3534 -4.5249 -4.5249 -4.5007 -4.5007 -4.3058 -4.3058 -4.2201 -4.2201 0.3721 0.3721 0.5566 0.5566 0.8804 0.8804 0.9062 0.9062 0.9943 0.9943 1.1460 1.1460 1.2235 1.2235 1.2466 1.2466 1.2572 1.2572 1.2822 1.2822 1.8705 1.8705 2.1912 2.1912 3.3464 3.3464 3.9338 3.9338 6.4729 6.4729 6.5478 6.5478 6.9469 6.9469 7.8346 7.8346 7.8970 7.8970 9.0117 9.0117 9.8602 9.8602 10.9228 10.9228 11.9377 11.9377 k = 0.4306 0.4090-0.0000 ( 5562 PWs) bands (ev): -19.5789 -19.5789 -19.5731 -19.5731 -6.3650 -6.3650 -6.3539 -6.3539 -4.5245 -4.5245 -4.4976 -4.4976 -4.3120 -4.3120 -4.2252 -4.2252 0.3792 0.3792 0.5618 0.5618 0.8803 0.8803 0.9056 0.9056 0.9860 0.9860 1.1523 1.1523 1.2236 1.2236 1.2459 1.2459 1.2564 1.2564 1.2820 1.2820 1.8842 1.8842 2.1978 2.1978 3.3689 3.3689 3.8996 3.8996 6.3483 6.3483 6.5323 6.5323 6.9775 6.9775 7.8248 7.8248 7.9312 7.9312 9.1278 9.1278 9.7501 9.7501 11.0066 11.0066 11.8748 11.8748 k = 0.4236 0.4210-0.0000 ( 5559 PWs) bands (ev): -19.5786 -19.5786 -19.5728 -19.5728 -6.3654 -6.3654 -6.3543 -6.3543 -4.5240 -4.5240 -4.4943 -4.4943 -4.3186 -4.3186 -4.2303 -4.2303 0.3864 0.3864 0.5674 0.5674 0.8803 0.8803 0.9051 0.9051 0.9779 0.9779 1.1584 1.1584 1.2236 1.2236 1.2452 1.2452 1.2556 1.2556 1.2817 1.2817 1.8993 1.8993 2.2047 2.2047 3.3927 3.3927 3.8641 3.8641 6.2254 6.2254 6.5172 6.5172 7.0103 7.0103 7.8102 7.8102 7.9722 7.9722 9.2442 9.2442 9.6435 9.6435 11.0850 11.0850 11.8114 11.8114 k = 0.4167 0.4330-0.0000 ( 5563 PWs) bands (ev): -19.5783 -19.5783 -19.5725 -19.5725 -6.3657 -6.3657 -6.3548 -6.3548 -4.5237 -4.5237 -4.4909 -4.4909 -4.3253 -4.3253 -4.2355 -4.2355 0.3938 0.3938 0.5733 0.5733 0.8802 0.8802 0.9044 0.9044 0.9700 0.9700 1.1643 1.1643 1.2235 1.2235 1.2445 1.2445 1.2547 1.2547 1.2814 1.2814 1.9156 1.9156 2.2116 2.2116 3.4171 3.4171 3.8278 3.8278 6.1056 6.1056 6.5025 6.5025 7.0452 7.0452 7.7932 7.7932 8.0171 8.0171 9.3600 9.3600 9.5418 9.5418 11.1484 11.1484 11.7712 11.7712 k = 0.4097 0.4450-0.0000 ( 5565 PWs) bands (ev): -19.5779 -19.5779 -19.5722 -19.5722 -6.3661 -6.3661 -6.3553 -6.3553 -4.5234 -4.5234 -4.4872 -4.4872 -4.3323 -4.3323 -4.2406 -4.2406 0.4012 0.4012 0.5796 0.5796 0.8801 0.8801 0.9037 0.9037 0.9624 0.9624 1.1699 1.1699 1.2235 1.2235 1.2438 1.2438 1.2539 1.2539 1.2811 1.2811 1.9331 1.9331 2.2184 2.2184 3.4417 3.4417 3.7914 3.7914 5.9898 5.9898 6.4883 6.4883 7.0819 7.0819 7.7745 7.7745 8.0651 8.0651 9.4271 9.4271 9.4932 9.4932 11.1841 11.1841 11.7661 11.7661 k = 0.4028 0.4571-0.0000 ( 5561 PWs) bands (ev): -19.5776 -19.5776 -19.5719 -19.5719 -6.3666 -6.3666 -6.3559 -6.3559 -4.5232 -4.5232 -4.4835 -4.4835 -4.3392 -4.3392 -4.2456 -4.2456 0.4083 0.4083 0.5861 0.5861 0.8800 0.8800 0.9029 0.9029 0.9553 0.9553 1.1754 1.1754 1.2234 1.2234 1.2430 1.2430 1.2531 1.2531 1.2808 1.2808 1.9517 1.9517 2.2248 2.2248 3.4660 3.4660 3.7557 3.7557 5.8789 5.8789 6.4748 6.4748 7.1201 7.1201 7.7545 7.7545 8.1154 8.1154 9.3402 9.3402 9.6033 9.6033 11.1846 11.1846 11.8026 11.8026 k = 0.3958 0.4691-0.0000 ( 5555 PWs) bands (ev): -19.5773 -19.5773 -19.5716 -19.5716 -6.3670 -6.3670 -6.3565 -6.3565 -4.5231 -4.5231 -4.4797 -4.4797 -4.3461 -4.3461 -4.2503 -4.2503 0.4152 0.4152 0.5927 0.5927 0.8798 0.8798 0.9019 0.9019 0.9487 0.9487 1.1805 1.1805 1.2233 1.2233 1.2422 1.2422 1.2523 1.2523 1.2805 1.2805 1.9712 1.9712 2.2308 2.2308 3.4891 3.4891 3.7213 3.7213 5.7741 5.7741 6.4621 6.4621 7.1594 7.1594 7.7333 7.7333 8.1674 8.1674 9.2496 9.2496 9.7217 9.7217 11.1553 11.1553 11.8741 11.8741 k = 0.3889 0.4811-0.0000 ( 5555 PWs) bands (ev): -19.5770 -19.5770 -19.5713 -19.5713 -6.3674 -6.3674 -6.3570 -6.3570 -4.5232 -4.5232 -4.4760 -4.4760 -4.3528 -4.3528 -4.2547 -4.2547 0.4217 0.4217 0.5993 0.5993 0.8797 0.8797 0.9008 0.9008 0.9426 0.9426 1.1853 1.1853 1.2232 1.2232 1.2415 1.2415 1.2516 1.2516 1.2802 1.2802 1.9915 1.9915 2.2361 2.2361 3.5104 3.5104 3.6892 3.6892 5.6763 5.6763 6.4505 6.4505 7.1996 7.1996 7.7110 7.7110 8.2206 8.2206 9.1627 9.1627 9.8411 9.8411 11.1077 11.1077 11.9678 11.9678 k = 0.3819 0.4932-0.0000 ( 5561 PWs) bands (ev): -19.5767 -19.5767 -19.5711 -19.5711 -6.3678 -6.3678 -6.3576 -6.3576 -4.5233 -4.5233 -4.4723 -4.4723 -4.3592 -4.3592 -4.2586 -4.2586 0.4276 0.4276 0.6057 0.6057 0.8796 0.8796 0.8995 0.8995 0.9373 0.9373 1.1897 1.1897 1.2230 1.2230 1.2407 1.2407 1.2509 1.2509 1.2798 1.2798 2.0121 2.0121 2.2404 2.2404 3.5286 3.5286 3.6603 3.6603 5.5867 5.5867 6.4399 6.4399 7.2403 7.2403 7.6879 7.6879 8.2744 8.2744 9.0802 9.0802 9.9604 9.9604 11.0510 11.0510 12.0734 12.0734 k = 0.3750 0.5052-0.0000 ( 5545 PWs) bands (ev): -19.5765 -19.5765 -19.5708 -19.5708 -6.3682 -6.3682 -6.3582 -6.3582 -4.5235 -4.5235 -4.4688 -4.4688 -4.3652 -4.3652 -4.2621 -4.2621 0.4330 0.4330 0.6118 0.6118 0.8795 0.8795 0.8980 0.8980 0.9328 0.9328 1.1938 1.1938 1.2229 1.2229 1.2401 1.2401 1.2502 1.2502 1.2795 1.2795 2.0328 2.0328 2.2437 2.2437 3.5425 3.5425 3.6360 3.6360 5.5064 5.5064 6.4305 6.4305 7.2810 7.2810 7.6640 7.6640 8.3281 8.3281 9.0023 9.0023 10.0788 10.0788 10.9905 10.9905 12.1816 12.1816 k = 0.3681 0.5172-0.0000 ( 5547 PWs) bands (ev): -19.5762 -19.5762 -19.5706 -19.5706 -6.3686 -6.3686 -6.3587 -6.3587 -4.5238 -4.5238 -4.4656 -4.4656 -4.3705 -4.3705 -4.2651 -4.2651 0.4376 0.4376 0.6174 0.6174 0.8794 0.8794 0.8965 0.8965 0.9291 0.9291 1.1973 1.1973 1.2228 1.2228 1.2395 1.2395 1.2496 1.2496 1.2793 1.2793 2.0530 2.0530 2.2458 2.2458 3.5501 3.5501 3.6181 3.6181 5.4367 5.4367 6.4224 6.4224 7.3211 7.3211 7.6397 7.6397 8.3811 8.3811 8.9293 8.9293 10.1949 10.1949 10.9291 10.9291 12.1228 12.1228 k = 0.3611 0.5292-0.0000 ( 5555 PWs) bands (ev): -19.5760 -19.5760 -19.5704 -19.5704 -6.3690 -6.3690 -6.3591 -6.3591 -4.5242 -4.5242 -4.4628 -4.4628 -4.3752 -4.3752 -4.2675 -4.2675 0.4414 0.4414 0.6224 0.6224 0.8794 0.8794 0.8949 0.8949 0.9262 0.9262 1.2003 1.2003 1.2226 1.2226 1.2390 1.2390 1.2490 1.2490 1.2790 1.2790 2.0719 2.0719 2.2468 2.2468 3.5503 3.5503 3.6080 3.6080 5.3785 5.3785 6.4156 6.4156 7.3598 7.3598 7.6151 7.6151 8.4329 8.4329 8.8613 8.8613 10.3070 10.3070 10.8685 10.8685 12.0597 12.0597 k = 0.3542 0.5413-0.0000 ( 5553 PWs) bands (ev): -19.5759 -19.5759 -19.5702 -19.5702 -6.3693 -6.3693 -6.3595 -6.3595 -4.5246 -4.5246 -4.4605 -4.4605 -4.3789 -4.3789 -4.2694 -4.2694 0.4445 0.4445 0.6264 0.6264 0.8793 0.8793 0.8936 0.8936 0.9241 0.9241 1.2027 1.2027 1.2226 1.2226 1.2387 1.2387 1.2485 1.2485 1.2788 1.2788 2.0887 2.0887 2.2470 2.2470 3.5453 3.5453 3.6036 3.6036 5.3328 5.3328 6.4102 6.4102 7.3963 7.3963 7.5909 7.5909 8.4827 8.4827 8.7989 8.7989 10.4124 10.4124 10.8098 10.8098 12.0018 12.0018 k = 0.3472 0.5533-0.0000 ( 5553 PWs) bands (ev): -19.5757 -19.5757 -19.5701 -19.5701 -6.3695 -6.3695 -6.3598 -6.3598 -4.5249 -4.5249 -4.4589 -4.4589 -4.3817 -4.3817 -4.2707 -4.2707 0.4467 0.4467 0.6295 0.6295 0.8793 0.8793 0.8925 0.8925 0.9226 0.9226 1.2044 1.2044 1.2226 1.2226 1.2384 1.2384 1.2481 1.2481 1.2787 1.2787 2.1022 2.1022 2.2467 2.2467 3.5397 3.5397 3.6010 3.6010 5.3001 5.3001 6.4062 6.4062 7.4288 7.4288 7.5680 7.5680 8.5298 8.5298 8.7426 8.7426 10.5073 10.5073 10.7537 10.7537 11.9539 11.9539 k = 0.3403 0.5653-0.0000 ( 5551 PWs) bands (ev): -19.5757 -19.5757 -19.5700 -19.5700 -6.3696 -6.3696 -6.3601 -6.3601 -4.5251 -4.5251 -4.4579 -4.4579 -4.3833 -4.3833 -4.2715 -4.2715 0.4480 0.4480 0.6314 0.6314 0.8793 0.8793 0.8918 0.8918 0.9218 0.9218 1.2054 1.2054 1.2226 1.2226 1.2383 1.2383 1.2478 1.2478 1.2786 1.2786 2.1110 2.1110 2.2465 2.2465 3.5361 3.5361 3.5986 3.5986 5.2807 5.2807 6.4038 6.4038 7.4539 7.4539 7.5492 7.5492 8.5713 8.5713 8.6953 8.6953 10.5868 10.5868 10.7010 10.7010 11.9215 11.9215 k = 0.3333 0.5774-0.0000 ( 5535 PWs) bands (ev): -19.5756 -19.5756 -19.5700 -19.5700 -6.3697 -6.3697 -6.3601 -6.3601 -4.5252 -4.5252 -4.4576 -4.4576 -4.3839 -4.3839 -4.2718 -4.2718 0.4485 0.4485 0.6320 0.6320 0.8793 0.8793 0.8916 0.8916 0.9215 0.9215 1.2058 1.2058 1.2226 1.2226 1.2383 1.2383 1.2477 1.2477 1.2786 1.2786 2.1141 2.1141 2.2464 2.2464 3.5351 3.5351 3.5973 3.5973 5.2743 5.2743 6.4030 6.4030 7.4641 7.4641 7.5413 7.5413 8.5928 8.5928 8.6718 8.6718 10.6352 10.6352 10.6626 10.6626 11.9097 11.9097 k = 0.3333 0.5774-0.0000 ( 5535 PWs) bands (ev): -19.5756 -19.5756 -19.5700 -19.5700 -6.3697 -6.3697 -6.3601 -6.3601 -4.5252 -4.5252 -4.4576 -4.4576 -4.3839 -4.3839 -4.2718 -4.2718 0.4485 0.4485 0.6320 0.6320 0.8793 0.8793 0.8916 0.8916 0.9215 0.9215 1.2058 1.2058 1.2226 1.2226 1.2383 1.2383 1.2477 1.2477 1.2786 1.2786 2.1141 2.1141 2.2464 2.2464 3.5351 3.5351 3.5973 3.5973 5.2743 5.2743 6.4030 6.4030 7.4641 7.4641 7.5413 7.5413 8.5928 8.5928 8.6718 8.6718 10.6352 10.6352 10.6626 10.6626 11.9097 11.9097 k = 0.3264 0.5653-0.0000 ( 5537 PWs) bands (ev): -19.5757 -19.5757 -19.5700 -19.5700 -6.3696 -6.3696 -6.3600 -6.3600 -4.5251 -4.5251 -4.4578 -4.4578 -4.3834 -4.3834 -4.2715 -4.2715 0.4481 0.4481 0.6314 0.6314 0.8793 0.8793 0.8918 0.8918 0.9218 0.9218 1.2055 1.2055 1.2226 1.2226 1.2383 1.2383 1.2478 1.2478 1.2787 1.2787 2.1110 2.1110 2.2462 2.2462 3.5357 3.5357 3.5996 3.5996 5.2804 5.2804 6.4038 6.4038 7.4552 7.4552 7.5476 7.5476 8.5736 8.5736 8.6932 8.6932 10.5996 10.5996 10.6872 10.6872 11.9223 11.9223 k = 0.3194 0.5533-0.0000 ( 5541 PWs) bands (ev): -19.5758 -19.5758 -19.5701 -19.5701 -6.3694 -6.3694 -6.3598 -6.3598 -4.5247 -4.5247 -4.4586 -4.4586 -4.3819 -4.3819 -4.2708 -4.2708 0.4467 0.4467 0.6294 0.6294 0.8793 0.8793 0.8923 0.8923 0.9227 0.9227 1.2046 1.2046 1.2225 1.2225 1.2382 1.2382 1.2481 1.2481 1.2787 1.2787 2.1023 2.1023 2.2443 2.2443 3.5373 3.5373 3.6085 3.6085 5.2982 5.2982 6.4064 6.4064 7.4361 7.4361 7.5585 7.5585 8.5412 8.5412 8.7328 8.7328 10.5568 10.5568 10.6965 10.6965 11.9593 11.9593 k = 0.3125 0.5413-0.0000 ( 5547 PWs) bands (ev): -19.5759 -19.5759 -19.5702 -19.5702 -6.3691 -6.3691 -6.3593 -6.3593 -4.5241 -4.5241 -4.4596 -4.4596 -4.3798 -4.3798 -4.2697 -4.2697 0.4445 0.4445 0.6262 0.6262 0.8794 0.8794 0.8928 0.8928 0.9241 0.9241 1.2032 1.2032 1.2224 1.2224 1.2381 1.2381 1.2487 1.2487 1.2788 1.2788 2.0888 2.0888 2.2393 2.2393 3.5404 3.5404 3.6251 3.6251 5.3265 5.3265 6.4107 6.4107 7.4136 7.4136 7.5663 7.5663 8.5099 8.5099 8.7769 8.7769 10.5170 10.5170 10.6823 10.6823 12.0154 12.0154 k = 0.3056 0.5292-0.0000 ( 5543 PWs) bands (ev): -19.5761 -19.5761 -19.5705 -19.5705 -6.3686 -6.3686 -6.3587 -6.3587 -4.5230 -4.5230 -4.4608 -4.4608 -4.3770 -4.3770 -4.2682 -4.2682 0.4414 0.4414 0.6218 0.6218 0.8794 0.8794 0.8933 0.8933 0.9262 0.9262 1.2013 1.2013 1.2222 1.2222 1.2378 1.2378 1.2493 1.2493 1.2789 1.2789 2.0714 2.0714 2.2296 2.2296 3.5471 3.5471 3.6494 3.6494 5.3644 5.3644 6.4169 6.4169 7.3903 7.3903 7.5678 7.5678 8.4822 8.4822 8.8241 8.8241 10.4807 10.4807 10.6483 10.6483 12.0763 12.0763 k = 0.2986 0.5172-0.0000 ( 5545 PWs) bands (ev): -19.5764 -19.5764 -19.5707 -19.5707 -6.3680 -6.3680 -6.3578 -6.3578 -4.5215 -4.5215 -4.4619 -4.4619 -4.3737 -4.3737 -4.2663 -4.2663 0.4374 0.4374 0.6162 0.6162 0.8796 0.8796 0.8937 0.8937 0.9289 0.9289 1.1990 1.1990 1.2221 1.2221 1.2374 1.2374 1.2501 1.2501 1.2789 1.2789 2.0511 2.0511 2.2142 2.2142 3.5597 3.5597 3.6805 3.6805 5.4106 5.4106 6.4250 6.4250 7.3672 7.3672 7.5617 7.5617 8.4588 8.4588 8.8745 8.8745 10.4480 10.4480 10.5994 10.5994 12.1138 12.1138 k = 0.2917 0.5052-0.0000 ( 5553 PWs) bands (ev): -19.5768 -19.5768 -19.5711 -19.5711 -6.3672 -6.3672 -6.3566 -6.3566 -4.5196 -4.5196 -4.4630 -4.4630 -4.3701 -4.3701 -4.2642 -4.2642 0.4327 0.4327 0.6095 0.6095 0.8797 0.8797 0.8938 0.8938 0.9321 0.9321 1.1963 1.1963 1.2218 1.2218 1.2369 1.2369 1.2508 1.2508 1.2789 1.2789 2.0286 2.0286 2.1925 2.1925 3.5799 3.5799 3.7178 3.7178 5.4642 5.4642 6.4350 6.4350 7.3448 7.3448 7.5473 7.5473 8.4397 8.4397 8.9287 8.9287 10.4188 10.4188 10.5400 10.5400 12.0983 12.0983 k = 0.2847 0.4932-0.0000 ( 5553 PWs) bands (ev): -19.5772 -19.5772 -19.5715 -19.5715 -6.3661 -6.3661 -6.3552 -6.3552 -4.5171 -4.5171 -4.4638 -4.4638 -4.3663 -4.3663 -4.2617 -4.2617 0.4272 0.4272 0.6016 0.6016 0.8799 0.8799 0.8936 0.8936 0.9356 0.9356 1.1932 1.1932 1.2216 1.2216 1.2364 1.2364 1.2516 1.2516 1.2788 1.2788 2.0042 2.0042 2.1647 2.1647 3.6086 3.6086 3.7608 3.7608 5.5243 5.5243 6.4471 6.4471 7.3234 7.3234 7.5244 7.5244 8.4251 8.4251 8.9872 8.9872 10.3929 10.3929 10.4738 10.4738 12.0406 12.0406 k = 0.2778 0.4811-0.0000 ( 5545 PWs) bands (ev): -19.5777 -19.5777 -19.5720 -19.5720 -6.3649 -6.3649 -6.3534 -6.3534 -4.5142 -4.5142 -4.4644 -4.4644 -4.3622 -4.3622 -4.2591 -4.2591 0.4210 0.4210 0.5927 0.5927 0.8801 0.8801 0.8933 0.8933 0.9394 0.9394 1.1896 1.1896 1.2212 1.2212 1.2359 1.2359 1.2523 1.2523 1.2786 1.2786 1.9785 1.9785 2.1314 2.1314 3.6462 3.6462 3.8090 3.8090 5.5899 5.5899 6.4613 6.4613 7.3032 7.3032 7.4932 7.4932 8.4148 8.4148 9.0502 9.0502 10.3679 10.3679 10.4056 10.4056 11.9643 11.9643 k = 0.2708 0.4691-0.0000 ( 5555 PWs) bands (ev): -19.5783 -19.5783 -19.5726 -19.5726 -6.3635 -6.3635 -6.3514 -6.3514 -4.5106 -4.5106 -4.4648 -4.4648 -4.3579 -4.3579 -4.2563 -4.2563 0.4143 0.4143 0.5826 0.5826 0.8803 0.8803 0.8927 0.8927 0.9433 0.9433 1.1856 1.1856 1.2208 1.2208 1.2353 1.2353 1.2529 1.2529 1.2784 1.2784 1.9515 1.9515 2.0937 2.0937 3.6926 3.6926 3.8621 3.8621 5.6604 5.6604 6.4777 6.4777 7.2845 7.2845 7.4541 7.4541 8.4089 8.4089 9.1181 9.1181 10.3189 10.3189 10.3622 10.3622 11.8809 11.8809 k = 0.2639 0.4571-0.0000 ( 5571 PWs) bands (ev): -19.5790 -19.5790 -19.5732 -19.5732 -6.3619 -6.3619 -6.3490 -6.3490 -4.5065 -4.5065 -4.4649 -4.4649 -4.3534 -4.3534 -4.2534 -4.2534 0.4070 0.4070 0.5712 0.5712 0.8805 0.8805 0.8920 0.8920 0.9472 0.9472 1.1811 1.1811 1.2203 1.2203 1.2348 1.2348 1.2534 1.2534 1.2780 1.2780 1.9232 1.9232 2.0530 2.0530 3.7476 3.7476 3.9199 3.9199 5.7352 5.7352 6.4963 6.4963 7.2672 7.2672 7.4080 7.4080 8.4072 8.4072 9.1906 9.1906 10.2452 10.2452 10.3454 10.3454 11.7948 11.7948 k = 0.2569 0.4450-0.0000 ( 5575 PWs) bands (ev): -19.5797 -19.5797 -19.5739 -19.5739 -6.3600 -6.3600 -6.3463 -6.3463 -4.5017 -4.5017 -4.4647 -4.4647 -4.3488 -4.3488 -4.2503 -4.2503 0.3992 0.3992 0.5586 0.5586 0.8808 0.8808 0.8911 0.8911 0.9511 0.9511 1.1762 1.1762 1.2198 1.2198 1.2343 1.2343 1.2539 1.2539 1.2774 1.2774 1.8935 1.8935 2.0108 2.0108 3.8104 3.8104 3.9822 3.9822 5.8137 5.8137 6.5172 6.5172 7.2511 7.2511 7.3559 7.3559 8.4099 8.4099 9.2678 9.2678 10.1683 10.1683 10.3347 10.3347 11.7081 11.7081 k = 0.2500 0.4330-0.0000 ( 5563 PWs) bands (ev): -19.5805 -19.5805 -19.5747 -19.5747 -6.3580 -6.3580 -6.3433 -6.3433 -4.4963 -4.4963 -4.4642 -4.4642 -4.3441 -4.3441 -4.2472 -4.2472 0.3911 0.3911 0.5446 0.5446 0.8810 0.8810 0.8901 0.8901 0.9548 0.9548 1.1707 1.1707 1.2191 1.2191 1.2339 1.2339 1.2542 1.2542 1.2768 1.2768 1.8620 1.8620 1.9689 1.9689 3.8806 3.8806 4.0486 4.0486 5.8954 5.8954 6.5405 6.5405 7.2345 7.2345 7.3003 7.3003 8.4168 8.4168 9.3493 9.3493 10.0908 10.0908 10.3282 10.3282 11.6216 11.6216 k = 0.2431 0.4210-0.0000 ( 5565 PWs) bands (ev): -19.5814 -19.5814 -19.5756 -19.5756 -6.3557 -6.3557 -6.3400 -6.3400 -4.4903 -4.4903 -4.4635 -4.4635 -4.3391 -4.3391 -4.2440 -4.2440 0.3827 0.3827 0.5291 0.5291 0.8812 0.8812 0.8891 0.8891 0.9583 0.9583 1.1646 1.1646 1.2184 1.2184 1.2335 1.2335 1.2545 1.2545 1.2761 1.2761 1.8279 1.8279 1.9292 1.9292 3.9576 3.9576 4.1191 4.1191 5.9799 5.9799 6.5661 6.5661 7.2073 7.2073 7.2525 7.2525 8.4279 8.4279 9.4348 9.4348 10.0135 10.0135 10.3256 10.3256 11.5362 11.5362 k = 0.2361 0.4090-0.0000 ( 5565 PWs) bands (ev): -19.5824 -19.5824 -19.5765 -19.5765 -6.3533 -6.3533 -6.3364 -6.3364 -4.4837 -4.4837 -4.4627 -4.4627 -4.3339 -4.3339 -4.2407 -4.2407 0.3740 0.3740 0.5120 0.5120 0.8814 0.8814 0.8880 0.8880 0.9616 0.9616 1.1580 1.1580 1.2175 1.2175 1.2331 1.2331 1.2547 1.2547 1.2752 1.2752 1.7912 1.7912 1.8929 1.8929 4.0409 4.0409 4.1934 4.1934 6.0667 6.0667 6.5940 6.5940 7.1515 7.1515 7.2312 7.2312 8.4431 8.4431 9.5240 9.5240 9.9370 9.9370 10.3266 10.3266 11.4520 11.4520 k = 0.2292 0.3969-0.0000 ( 5561 PWs) bands (ev): -19.5834 -19.5834 -19.5775 -19.5775 -6.3506 -6.3506 -6.3324 -6.3324 -4.4765 -4.4765 -4.4616 -4.4616 -4.3285 -4.3285 -4.2375 -4.2375 0.3651 0.3651 0.4931 0.4931 0.8814 0.8814 0.8869 0.8869 0.9647 0.9647 1.1507 1.1507 1.2166 1.2166 1.2327 1.2327 1.2548 1.2548 1.2742 1.2742 1.7522 1.7522 1.8605 1.8605 4.1299 4.1299 4.2715 4.2715 6.1554 6.1554 6.6243 6.6243 7.0824 7.0824 7.2219 7.2219 8.4625 8.4625 9.6161 9.6161 9.8622 9.8622 10.3312 10.3312 11.3695 11.3695 k = 0.2222 0.3849-0.0000 ( 5563 PWs) bands (ev): -19.5845 -19.5845 -19.5786 -19.5786 -6.3478 -6.3478 -6.3281 -6.3281 -4.4688 -4.4688 -4.4602 -4.4602 -4.3227 -4.3227 -4.2343 -4.2343 0.3560 0.3560 0.4724 0.4724 0.8813 0.8813 0.8859 0.8859 0.9674 0.9674 1.1428 1.1428 1.2155 1.2155 1.2323 1.2323 1.2549 1.2549 1.2731 1.2731 1.7123 1.7123 1.8316 1.8316 4.2244 4.2244 4.3532 4.3532 6.2457 6.2457 6.6565 6.6565 7.0089 7.0089 7.2167 7.2167 8.4859 8.4859 9.7063 9.7063 9.7937 9.7937 10.3391 10.3391 11.2887 11.2887 k = 0.2153 0.3729-0.0000 ( 5571 PWs) bands (ev): -19.5857 -19.5857 -19.5797 -19.5797 -6.3448 -6.3448 -6.3236 -6.3236 -4.4620 -4.4620 -4.4574 -4.4574 -4.3167 -4.3167 -4.2310 -4.2310 0.3466 0.3466 0.4499 0.4499 0.8810 0.8810 0.8851 0.8851 0.9699 0.9699 1.1343 1.1343 1.2144 1.2144 1.2318 1.2318 1.2548 1.2548 1.2719 1.2719 1.6727 1.6727 1.8056 1.8056 4.3238 4.3238 4.4384 4.4384 6.3373 6.3373 6.6900 6.6900 6.9337 6.9337 7.2146 7.2146 8.5134 8.5134 9.7041 9.7041 9.8222 9.8222 10.3504 10.3504 11.2098 11.2098 k = 0.2083 0.3608-0.0000 ( 5561 PWs) bands (ev): -19.5869 -19.5869 -19.5809 -19.5809 -6.3416 -6.3416 -6.3188 -6.3188 -4.4593 -4.4593 -4.4498 -4.4498 -4.3102 -4.3102 -4.2279 -4.2279 0.3367 0.3367 0.4258 0.4258 0.8804 0.8804 0.8845 0.8845 0.9721 0.9721 1.1253 1.1253 1.2133 1.2133 1.2313 1.2313 1.2548 1.2548 1.2707 1.2707 1.6345 1.6345 1.7818 1.7818 4.4280 4.4280 4.5270 4.5270 6.4297 6.4297 6.7210 6.7210 6.8615 6.8615 7.2150 7.2150 8.5448 8.5448 9.6361 9.6361 9.9206 9.9206 10.3648 10.3648 11.1328 11.1328 k = 0.2014 0.3488-0.0000 ( 5565 PWs) bands (ev): -19.5882 -19.5882 -19.5821 -19.5821 -6.3384 -6.3384 -6.3137 -6.3137 -4.4579 -4.4579 -4.4402 -4.4402 -4.3034 -4.3034 -4.2247 -4.2247 0.3258 0.3258 0.4008 0.4008 0.8795 0.8795 0.8841 0.8841 0.9739 0.9739 1.1158 1.1158 1.2121 1.2121 1.2306 1.2306 1.2547 1.2547 1.2693 1.2693 1.5986 1.5986 1.7599 1.7599 4.5366 4.5366 4.6189 4.6189 6.5225 6.5225 6.7243 6.7243 6.8181 6.8181 7.2178 7.2178 8.5802 8.5802 9.5667 9.5667 10.0246 10.0246 10.3821 10.3821 11.0579 11.0579 k = 0.1944 0.3368-0.0000 ( 5569 PWs) bands (ev): -19.5895 -19.5895 -19.5834 -19.5834 -6.3350 -6.3350 -6.3084 -6.3084 -4.4568 -4.4568 -4.4300 -4.4300 -4.2962 -4.2962 -4.2216 -4.2216 0.3125 0.3125 0.3759 0.3759 0.8784 0.8784 0.8837 0.8837 0.9756 0.9756 1.1059 1.1059 1.2109 1.2109 1.2298 1.2298 1.2546 1.2546 1.2680 1.2680 1.5653 1.5653 1.7394 1.7394 4.6494 4.6494 4.7141 4.7141 6.6154 6.6154 6.6658 6.6658 6.8380 6.8380 7.2231 7.2231 8.6195 8.6195 9.4985 9.4985 10.1313 10.1313 10.4021 10.4021 10.9851 10.9851 k = 0.1875 0.3248-0.0000 ( 5565 PWs) bands (ev): -19.5909 -19.5909 -19.5847 -19.5847 -6.3315 -6.3315 -6.3029 -6.3029 -4.4558 -4.4558 -4.4191 -4.4191 -4.2886 -4.2886 -4.2185 -4.2185 0.2947 0.2947 0.3538 0.3538 0.8773 0.8773 0.8834 0.8834 0.9769 0.9769 1.0958 1.0958 1.2097 1.2097 1.2289 1.2289 1.2545 1.2545 1.2667 1.2667 1.5349 1.5349 1.7204 1.7204 4.7662 4.7662 4.8126 4.8126 6.5879 6.5879 6.7079 6.7079 6.8796 6.8796 7.2306 7.2306 8.6626 8.6626 9.4318 9.4318 10.2398 10.2398 10.4247 10.4247 10.9144 10.9144 k = 0.1806 0.3127-0.0000 ( 5557 PWs) bands (ev): -19.5923 -19.5923 -19.5861 -19.5861 -6.3280 -6.3280 -6.2972 -6.2972 -4.4550 -4.4550 -4.4077 -4.4077 -4.2805 -4.2805 -4.2155 -4.2155 0.2702 0.2702 0.3366 0.3366 0.8762 0.8762 0.8830 0.8830 0.9780 0.9780 1.0856 1.0856 1.2084 1.2084 1.2277 1.2277 1.2545 1.2545 1.2654 1.2654 1.5076 1.5076 1.7025 1.7025 4.8864 4.8864 4.9144 4.9144 6.5061 6.5061 6.7994 6.7994 6.9276 6.9276 7.2404 7.2404 8.7095 8.7095 9.3669 9.3669 10.3490 10.3490 10.4504 10.4504 10.8457 10.8457 k = 0.1736 0.3007-0.0000 ( 5559 PWs) bands (ev): -19.5937 -19.5937 -19.5874 -19.5874 -6.3244 -6.3244 -6.2914 -6.2914 -4.4544 -4.4544 -4.3958 -4.3958 -4.2720 -4.2720 -4.2125 -4.2125 0.2395 0.2395 0.3242 0.3242 0.8750 0.8750 0.8825 0.8825 0.9788 0.9788 1.0756 1.0756 1.2071 1.2071 1.2264 1.2264 1.2545 1.2545 1.2640 1.2640 1.4832 1.4832 1.6859 1.6859 5.0082 5.0082 5.0214 5.0214 6.4233 6.4233 6.8895 6.8895 6.9797 6.9797 7.2523 7.2523 8.7601 8.7601 9.3038 9.3038 10.4491 10.4491 10.4879 10.4879 10.7791 10.7791 k = 0.1667 0.2887-0.0000 ( 5563 PWs) bands (ev): -19.5952 -19.5952 -19.5889 -19.5889 -6.3208 -6.3208 -6.2855 -6.2855 -4.4539 -4.4539 -4.3836 -4.3836 -4.2630 -4.2630 -4.2096 -4.2096 0.2046 0.2046 0.3147 0.3147 0.8739 0.8739 0.8819 0.8819 0.9793 0.9793 1.0659 1.0659 1.2058 1.2058 1.2248 1.2248 1.2546 1.2546 1.2628 1.2628 1.4615 1.4615 1.6702 1.6702 5.1224 5.1224 5.1425 5.1425 6.3404 6.3404 6.9772 6.9772 7.0355 7.0355 7.2665 7.2665 8.8144 8.8144 9.2425 9.2425 10.4938 10.4938 10.5824 10.5824 10.7147 10.7147 k = 0.1597 0.2766-0.0000 ( 5543 PWs) bands (ev): -19.5967 -19.5967 -19.5903 -19.5903 -6.3173 -6.3173 -6.2795 -6.2795 -4.4535 -4.4535 -4.3709 -4.3709 -4.2537 -4.2537 -4.2066 -4.2066 0.1669 0.1669 0.3070 0.3070 0.8728 0.8728 0.8811 0.8811 0.9795 0.9795 1.0568 1.0568 1.2045 1.2045 1.2230 1.2230 1.2547 1.2547 1.2616 1.2616 1.4424 1.4424 1.6556 1.6556 5.2334 5.2334 5.2730 5.2730 6.2579 6.2579 7.0611 7.0611 7.0956 7.0956 7.2828 7.2828 8.8723 8.8723 9.1831 9.1831 10.5221 10.5221 10.6506 10.6506 10.6954 10.6954 k = 0.1528 0.2646-0.0000 ( 5549 PWs) bands (ev): -19.5981 -19.5981 -19.5917 -19.5917 -6.3137 -6.3137 -6.2734 -6.2734 -4.4534 -4.4534 -4.3581 -4.3581 -4.2439 -4.2439 -4.2037 -4.2037 0.1275 0.1275 0.3005 0.3005 0.8718 0.8718 0.8801 0.8801 0.9794 0.9794 1.0484 1.0484 1.2032 1.2032 1.2210 1.2210 1.2550 1.2550 1.2604 1.2604 1.4255 1.4255 1.6420 1.6420 5.3465 5.3465 5.4075 5.4075 6.1764 6.1764 7.1377 7.1377 7.1622 7.1622 7.3016 7.3016 8.9335 8.9335 9.1255 9.1255 10.5479 10.5479 10.5909 10.5909 10.8072 10.8072 k = 0.1458 0.2526-0.0000 ( 5541 PWs) bands (ev): -19.5996 -19.5996 -19.5932 -19.5932 -6.3102 -6.3102 -6.2674 -6.2674 -4.4534 -4.4534 -4.3450 -4.3450 -4.2339 -4.2339 -4.2006 -4.2006 0.0870 0.0870 0.2948 0.2948 0.8708 0.8708 0.8789 0.8789 0.9790 0.9790 1.0408 1.0408 1.2019 1.2019 1.2187 1.2187 1.2554 1.2554 1.2593 1.2593 1.4107 1.4107 1.6293 1.6293 5.4621 5.4621 5.5454 5.5454 6.0961 6.0961 7.2068 7.2068 7.2340 7.2340 7.3240 7.3240 8.9974 8.9974 9.0706 9.0706 10.5320 10.5320 10.5715 10.5715 10.9191 10.9191 k = 0.1389 0.2406-0.0000 ( 5533 PWs) bands (ev): -19.6011 -19.6011 -19.5946 -19.5946 -6.3068 -6.3068 -6.2614 -6.2614 -4.4535 -4.4535 -4.3319 -4.3319 -4.2236 -4.2236 -4.1975 -4.1975 0.0459 0.0459 0.2897 0.2897 0.8699 0.8699 0.8775 0.8775 0.9783 0.9783 1.0341 1.0341 1.2005 1.2005 1.2163 1.2163 1.2558 1.2558 1.2584 1.2584 1.3976 1.3976 1.6174 1.6174 5.5801 5.5801 5.6865 5.6865 6.0174 6.0174 7.2731 7.2731 7.3000 7.3000 7.3549 7.3549 9.0127 9.0127 9.0693 9.0693 10.4753 10.4753 10.5909 10.5909 11.0286 11.0286 k = 0.1319 0.2285-0.0000 ( 5529 PWs) bands (ev): -19.6026 -19.6026 -19.5960 -19.5960 -6.3035 -6.3035 -6.2554 -6.2554 -4.4537 -4.4537 -4.3188 -4.3188 -4.2131 -4.2131 -4.1942 -4.1942 0.0046 0.0046 0.2852 0.2852 0.8690 0.8690 0.8760 0.8760 0.9771 0.9771 1.0286 1.0286 1.1992 1.1992 1.2136 1.2136 1.2563 1.2563 1.2575 1.2575 1.3860 1.3860 1.6064 1.6064 5.7004 5.7004 5.8306 5.8306 5.9407 5.9407 7.3320 7.3320 7.3538 7.3538 7.4052 7.4052 8.9616 8.9616 9.1393 9.1393 10.4205 10.4205 10.6045 10.6045 11.1326 11.1326 k = 0.1250 0.2165-0.0000 ( 5523 PWs) bands (ev): -19.6041 -19.6041 -19.5974 -19.5974 -6.3002 -6.3002 -6.2496 -6.2496 -4.4540 -4.4540 -4.3060 -4.3060 -4.2024 -4.2024 -4.1907 -4.1907 -0.0365 -0.0365 0.2811 0.2811 0.8681 0.8681 0.8743 0.8743 0.9755 0.9755 1.0241 1.0241 1.1978 1.1978 1.2109 1.2109 1.2563 1.2563 1.2573 1.2573 1.3758 1.3758 1.5962 1.5962 5.8201 5.8201 5.8689 5.8689 5.9776 5.9776 7.3665 7.3665 7.4192 7.4192 7.4668 7.4668 8.9110 8.9110 9.2135 9.2135 10.3678 10.3678 10.6102 10.6102 11.1827 11.1827 k = 0.1181 0.2045-0.0000 ( 5527 PWs) bands (ev): -19.6055 -19.6055 -19.5988 -19.5988 -6.2971 -6.2971 -6.2439 -6.2439 -4.4545 -4.4545 -4.2936 -4.2936 -4.1917 -4.1917 -4.1868 -4.1868 -0.0772 -0.0772 0.2776 0.2776 0.8672 0.8672 0.8725 0.8725 0.9736 0.9736 1.0207 1.0207 1.1963 1.1963 1.2080 1.2080 1.2556 1.2556 1.2579 1.2579 1.3668 1.3668 1.5867 1.5867 5.7911 5.7911 5.9505 5.9505 6.1274 6.1274 7.3931 7.3931 7.4907 7.4907 7.5281 7.5281 8.8618 8.8618 9.2908 9.2908 10.3174 10.3174 10.6057 10.6057 11.1252 11.1252 k = 0.1111 0.1925-0.0000 ( 5519 PWs) bands (ev): -19.6069 -19.6069 -19.6002 -19.6002 -6.2942 -6.2942 -6.2383 -6.2383 -4.4550 -4.4550 -4.2818 -4.2818 -4.1829 -4.1829 -4.1805 -4.1805 -0.1170 -0.1170 0.2744 0.2744 0.8661 0.8661 0.8707 0.8707 0.9713 0.9713 1.0183 1.0183 1.1949 1.1949 1.2052 1.2052 1.2548 1.2548 1.2587 1.2587 1.3588 1.3588 1.5780 1.5780 5.7216 5.7216 6.0773 6.0773 6.2799 6.2799 7.4183 7.4183 7.5636 7.5636 7.5868 7.5868 8.8143 8.8143 9.3709 9.3709 10.2693 10.2693 10.5888 10.5888 11.0629 11.0629 k = 0.1042 0.1804-0.0000 ( 5523 PWs) bands (ev): -19.6082 -19.6082 -19.6015 -19.6015 -6.2914 -6.2914 -6.2330 -6.2330 -4.4555 -4.4555 -4.2707 -4.2707 -4.1778 -4.1778 -4.1701 -4.1701 -0.1557 -0.1557 0.2715 0.2715 0.8648 0.8648 0.8691 0.8691 0.9688 0.9688 1.0167 1.0167 1.1933 1.1933 1.2024 1.2024 1.2541 1.2541 1.2596 1.2596 1.3516 1.3516 1.5700 1.5700 5.6546 5.6546 6.2065 6.2065 6.4350 6.4350 7.4431 7.4431 7.6289 7.6289 7.6499 7.6499 8.7684 8.7684 9.4535 9.4535 10.2238 10.2238 10.5582 10.5582 11.0023 11.0023 k = 0.0972 0.1684-0.0000 ( 5527 PWs) bands (ev): -19.6095 -19.6095 -19.6027 -19.6027 -6.2887 -6.2887 -6.2279 -6.2279 -4.4561 -4.4561 -4.2607 -4.2607 -4.1723 -4.1723 -4.1596 -4.1596 -0.1932 -0.1932 0.2690 0.2690 0.8631 0.8631 0.8679 0.8679 0.9662 0.9662 1.0159 1.0159 1.1916 1.1916 1.1997 1.1997 1.2534 1.2534 1.2606 1.2606 1.3452 1.3452 1.5626 1.5626 5.5904 5.5904 6.3377 6.3377 6.5924 6.5924 7.4676 7.4676 7.6785 7.6785 7.7252 7.7252 8.7241 8.7241 9.5382 9.5382 10.1809 10.1809 10.5132 10.5132 10.9439 10.9439 k = 0.0903 0.1564-0.0000 ( 5539 PWs) bands (ev): -19.6108 -19.6108 -19.6039 -19.6039 -6.2862 -6.2862 -6.2230 -6.2230 -4.4567 -4.4567 -4.2518 -4.2518 -4.1661 -4.1661 -4.1493 -4.1493 -0.2290 -0.2290 0.2668 0.2668 0.8611 0.8611 0.8670 0.8670 0.9636 0.9636 1.0156 1.0156 1.1896 1.1896 1.1973 1.1973 1.2527 1.2527 1.2616 1.2616 1.3394 1.3394 1.5559 1.5559 5.5296 5.5296 6.4704 6.4704 6.7520 6.7520 7.4919 7.4919 7.7200 7.7200 7.8043 7.8043 8.6817 8.6817 9.6249 9.6249 10.1408 10.1408 10.4542 10.4542 10.8883 10.8883 k = 0.0833 0.1443-0.0000 ( 5531 PWs) bands (ev): -19.6120 -19.6120 -19.6051 -19.6051 -6.2839 -6.2839 -6.2184 -6.2184 -4.4573 -4.4573 -4.2442 -4.2442 -4.1591 -4.1591 -4.1393 -4.1393 -0.2631 -0.2631 0.2649 0.2649 0.8589 0.8589 0.8663 0.8663 0.9611 0.9611 1.0158 1.0158 1.1875 1.1875 1.1954 1.1954 1.2520 1.2520 1.2627 1.2627 1.3343 1.3343 1.5498 1.5498 5.4722 5.4722 6.6045 6.6045 6.9137 6.9137 7.5156 7.5156 7.7558 7.7558 7.8850 7.8850 8.6412 8.6412 9.7130 9.7130 10.1033 10.1033 10.3822 10.3822 10.8357 10.8357 k = 0.0764 0.1323-0.0000 ( 5533 PWs) bands (ev): -19.6131 -19.6131 -19.6062 -19.6062 -6.2818 -6.2818 -6.2140 -6.2140 -4.4580 -4.4580 -4.2378 -4.2378 -4.1516 -4.1516 -4.1298 -4.1298 -0.2951 -0.2951 0.2633 0.2633 0.8566 0.8566 0.8657 0.8657 0.9587 0.9587 1.0164 1.0164 1.1850 1.1850 1.1937 1.1937 1.2514 1.2514 1.2638 1.2638 1.3297 1.3297 1.5443 1.5443 5.4185 5.4185 6.7395 6.7395 7.0771 7.0771 7.5387 7.5387 7.7863 7.7863 7.9665 7.9665 8.6027 8.6027 9.8020 9.8020 10.0686 10.0686 10.2984 10.2984 10.7861 10.7861 k = 0.0694 0.1203-0.0000 ( 5545 PWs) bands (ev): -19.6141 -19.6141 -19.6072 -19.6072 -6.2799 -6.2799 -6.2100 -6.2100 -4.4586 -4.4586 -4.2326 -4.2326 -4.1436 -4.1436 -4.1207 -4.1207 -0.3250 -0.3250 0.2618 0.2618 0.8543 0.8543 0.8653 0.8653 0.9564 0.9564 1.0172 1.0172 1.1824 1.1824 1.1923 1.1923 1.2508 1.2508 1.2649 1.2649 1.3255 1.3255 1.5393 1.5393 5.3688 5.3688 6.8750 6.8750 7.2419 7.2419 7.5608 7.5608 7.8120 7.8120 8.0482 8.0482 8.5666 8.5666 9.8910 9.8910 10.0365 10.0365 10.2040 10.2040 10.7384 10.7384 k = 0.0625 0.1083-0.0000 ( 5553 PWs) bands (ev): -19.6151 -19.6151 -19.6081 -19.6081 -6.2782 -6.2782 -6.2064 -6.2064 -4.4592 -4.4592 -4.2283 -4.2283 -4.1356 -4.1356 -4.1122 -4.1122 -0.3526 -0.3526 0.2606 0.2606 0.8521 0.8521 0.8649 0.8649 0.9544 0.9544 1.0182 1.0182 1.1799 1.1799 1.1911 1.1911 1.2503 1.2503 1.2659 1.2659 1.3219 1.3219 1.5349 1.5349 5.3231 5.3231 7.0105 7.0105 7.4077 7.4077 7.5818 7.5818 7.8336 7.8336 8.1294 8.1294 8.5330 8.5330 9.9769 9.9769 10.0091 10.0091 10.1008 10.1008 10.6697 10.6697 k = 0.0556 0.0962-0.0000 ( 5557 PWs) bands (ev): -19.6160 -19.6160 -19.6089 -19.6089 -6.2766 -6.2766 -6.2030 -6.2030 -4.4597 -4.4597 -4.2250 -4.2250 -4.1277 -4.1277 -4.1044 -4.1044 -0.3777 -0.3777 0.2595 0.2595 0.8501 0.8501 0.8645 0.8645 0.9525 0.9525 1.0192 1.0192 1.1774 1.1774 1.1902 1.1902 1.2498 1.2498 1.2670 1.2670 1.3186 1.3186 1.5310 1.5310 5.2817 5.2817 7.1450 7.1450 7.5732 7.5732 7.6016 7.6016 7.8518 7.8518 8.2093 8.2093 8.5021 8.5021 9.9755 9.9755 9.9907 9.9907 10.0689 10.0689 10.5624 10.5624 k = 0.0486 0.0842-0.0000 ( 5569 PWs) bands (ev): -19.6168 -19.6168 -19.6097 -19.6097 -6.2752 -6.2752 -6.2001 -6.2001 -4.4602 -4.4602 -4.2222 -4.2222 -4.1201 -4.1201 -4.0973 -4.0973 -0.4002 -0.4002 0.2586 0.2586 0.8482 0.8482 0.8642 0.8642 0.9508 0.9508 1.0203 1.0203 1.1750 1.1750 1.1894 1.1894 1.2494 1.2494 1.2680 1.2680 1.3157 1.3157 1.5276 1.5276 5.2448 5.2448 7.2776 7.2776 7.6191 7.6191 7.7370 7.7370 7.8687 7.8687 8.2868 8.2868 8.4742 8.4742 9.8752 9.8752 9.9486 9.9486 10.1523 10.1523 10.4586 10.4586 k = 0.0417 0.0722-0.0000 ( 5569 PWs) bands (ev): -19.6174 -19.6174 -19.6104 -19.6104 -6.2741 -6.2741 -6.1975 -6.1975 -4.4606 -4.4606 -4.2201 -4.2201 -4.1131 -4.1131 -4.0910 -4.0910 -0.4199 -0.4199 0.2579 0.2579 0.8465 0.8465 0.8640 0.8640 0.9494 0.9494 1.0215 1.0215 1.1728 1.1728 1.1887 1.1887 1.2490 1.2490 1.2689 1.2689 1.3132 1.3132 1.5247 1.5247 5.2125 5.2125 7.4065 7.4065 7.6353 7.6353 7.8597 7.8597 7.9218 7.9218 8.3608 8.3608 8.4495 8.4495 9.7582 9.7582 9.9201 9.9201 10.2302 10.2302 10.3641 10.3641 k = 0.0347 0.0601-0.0000 ( 5571 PWs) bands (ev): -19.6180 -19.6180 -19.6109 -19.6109 -6.2731 -6.2731 -6.1953 -6.1953 -4.4610 -4.4610 -4.2184 -4.2184 -4.1069 -4.1069 -4.0855 -4.0855 -0.4368 -0.4368 0.2573 0.2573 0.8450 0.8450 0.8638 0.8638 0.9482 0.9482 1.0225 1.0225 1.1709 1.1709 1.1881 1.1881 1.2486 1.2486 1.2697 1.2697 1.3111 1.3111 1.5223 1.5223 5.1849 5.1849 7.5295 7.5295 7.6495 7.6495 7.8791 7.8791 8.0723 8.0723 8.4278 8.4278 8.4300 8.4300 9.6429 9.6429 9.8878 9.8878 10.2647 10.2647 10.3138 10.3138 k = 0.0278 0.0481-0.0000 ( 5569 PWs) bands (ev): -19.6185 -19.6185 -19.6114 -19.6114 -6.2722 -6.2722 -6.1935 -6.1935 -4.4613 -4.4613 -4.2172 -4.2172 -4.1017 -4.1017 -4.0810 -4.0810 -0.4507 -0.4507 0.2568 0.2568 0.8438 0.8438 0.8637 0.8637 0.9471 0.9471 1.0234 1.0234 1.1693 1.1693 1.1877 1.1877 1.2483 1.2483 1.2705 1.2705 1.3094 1.3094 1.5203 1.5203 5.1622 5.1622 7.6405 7.6405 7.6645 7.6645 7.8871 7.8871 8.2251 8.2251 8.4112 8.4112 8.4909 8.4909 9.5338 9.5338 9.8465 9.8465 10.1953 10.1953 10.2728 10.2728 k = 0.0208 0.0361-0.0000 ( 5573 PWs) bands (ev): -19.6189 -19.6189 -19.6118 -19.6118 -6.2716 -6.2716 -6.1920 -6.1920 -4.4616 -4.4616 -4.2162 -4.2162 -4.0975 -4.0975 -4.0774 -4.0774 -0.4617 -0.4617 0.2565 0.2565 0.8428 0.8428 0.8636 0.8636 0.9463 0.9463 1.0242 1.0242 1.1680 1.1680 1.1873 1.1873 1.2481 1.2481 1.2710 1.2710 1.3080 1.3080 1.5188 1.5188 5.1444 5.1444 7.6688 7.6688 7.7462 7.7462 7.8924 7.8924 8.3619 8.3619 8.4029 8.4029 8.5429 8.5429 9.4365 9.4365 9.7902 9.7902 10.1292 10.1292 10.1703 10.1703 k = 0.0139 0.0241-0.0000 ( 5585 PWs) bands (ev): -19.6192 -19.6192 -19.6120 -19.6120 -6.2712 -6.2712 -6.1910 -6.1910 -4.4618 -4.4618 -4.2156 -4.2156 -4.0944 -4.0944 -4.0748 -4.0748 -0.4695 -0.4695 0.2562 0.2562 0.8421 0.8421 0.8634 0.8634 0.9458 0.9458 1.0247 1.0247 1.1670 1.1670 1.1870 1.1870 1.2479 1.2479 1.2715 1.2715 1.3070 1.3070 1.5177 1.5177 5.1316 5.1316 7.6761 7.6761 7.8264 7.8264 7.8959 7.8959 8.3837 8.3837 8.4915 8.4915 8.5840 8.5840 9.3581 9.3581 9.7212 9.7212 10.0744 10.0744 10.1092 10.1092 k = 0.0069 0.0120-0.0000 ( 5577 PWs) bands (ev): -19.6193 -19.6193 -19.6122 -19.6122 -6.2709 -6.2709 -6.1904 -6.1904 -4.4619 -4.4619 -4.2152 -4.2152 -4.0925 -4.0925 -4.0732 -4.0732 -0.4742 -0.4742 0.2561 0.2561 0.8417 0.8417 0.8634 0.8634 0.9455 0.9455 1.0251 1.0251 1.1664 1.1664 1.1869 1.1869 1.2478 1.2478 1.2718 1.2718 1.3065 1.3065 1.5170 1.5170 5.1240 5.1240 7.6803 7.6803 7.8791 7.8791 7.8983 7.8983 8.3786 8.3786 8.5699 8.5699 8.6156 8.6156 9.3064 9.3064 9.6602 9.6602 10.0413 10.0413 10.0778 10.0778 k = 0.0000 0.0000 0.0000 ( 5565 PWs) bands (ev): -19.6194 -19.6194 -19.6123 -19.6123 -6.2708 -6.2708 -6.1902 -6.1902 -4.4619 -4.4619 -4.2151 -4.2151 -4.0919 -4.0919 -4.0727 -4.0727 -0.4758 -0.4758 0.2560 0.2560 0.8415 0.8415 0.8634 0.8634 0.9454 0.9454 1.0252 1.0252 1.1662 1.1662 1.1869 1.1869 1.2478 1.2478 1.2719 1.2719 1.3063 1.3063 1.5168 1.5168 5.1214 5.1214 7.6817 7.6817 7.8950 7.8950 7.9016 7.9016 8.3767 8.3767 8.5928 8.5928 8.6330 8.6330 9.2882 9.2882 9.6353 9.6353 10.0307 10.0307 10.0678 10.0678 k = 0.0000 0.0000 0.0000 ( 5565 PWs) bands (ev): -19.6194 -19.6194 -19.6123 -19.6123 -6.2708 -6.2708 -6.1902 -6.1902 -4.4619 -4.4619 -4.2151 -4.2151 -4.0919 -4.0919 -4.0727 -4.0727 -0.4758 -0.4758 0.2560 0.2560 0.8415 0.8415 0.8634 0.8634 0.9454 0.9454 1.0252 1.0252 1.1662 1.1662 1.1869 1.1869 1.2478 1.2478 1.2719 1.2719 1.3063 1.3063 1.5168 1.5168 5.1214 5.1214 7.6817 7.6817 7.8950 7.8950 7.9016 7.9016 8.3767 8.3767 8.5928 8.5928 8.6330 8.6330 9.2882 9.2882 9.6353 9.6353 10.0307 10.0307 10.0678 10.0678 k = 0.0000 0.0000 0.0133 ( 5571 PWs) bands (ev): -19.6194 -19.6194 -19.6123 -19.6123 -6.2706 -6.2706 -6.1904 -6.1904 -4.4615 -4.4615 -4.2157 -4.2157 -4.0919 -4.0919 -4.0728 -4.0728 -0.4741 -0.4741 0.2547 0.2547 0.8416 0.8416 0.8634 0.8634 0.9454 0.9454 1.0250 1.0250 1.1663 1.1663 1.1868 1.1868 1.2478 1.2478 1.2718 1.2718 1.3064 1.3064 1.5159 1.5159 5.1254 5.1254 7.6630 7.6630 7.8961 7.8961 7.9027 7.9027 8.3944 8.3944 8.5903 8.5903 8.6303 8.6303 9.2888 9.2888 9.6352 9.6352 10.0327 10.0327 10.0699 10.0699 k = 0.0000 0.0000 0.0267 ( 5583 PWs) bands (ev): -19.6193 -19.6193 -19.6123 -19.6123 -6.2701 -6.2701 -6.1908 -6.1908 -4.4602 -4.4602 -4.2176 -4.2176 -4.0917 -4.0917 -4.0729 -4.0729 -0.4691 -0.4691 0.2506 0.2506 0.8417 0.8417 0.8632 0.8632 0.9458 0.9458 1.0243 1.0243 1.1664 1.1664 1.1866 1.1866 1.2480 1.2480 1.2716 1.2716 1.3070 1.3070 1.5130 1.5130 5.1373 5.1373 7.6121 7.6121 7.8991 7.8991 7.9058 7.9058 8.4426 8.4426 8.5830 8.5830 8.6224 8.6224 9.2905 9.2905 9.6349 9.6349 10.0386 10.0386 10.0761 10.0761 k = 0.0000 0.0000 0.0400 ( 5571 PWs) bands (ev): -19.6193 -19.6193 -19.6124 -19.6124 -6.2692 -6.2692 -6.1916 -6.1916 -4.4580 -4.4580 -4.2207 -4.2207 -4.0915 -4.0915 -4.0731 -4.0731 -0.4608 -0.4608 0.2439 0.2439 0.8419 0.8419 0.8630 0.8630 0.9464 0.9464 1.0232 1.0232 1.1666 1.1666 1.1864 1.1864 1.2483 1.2483 1.2714 1.2714 1.3080 1.3080 1.5084 1.5084 5.1571 5.1571 7.5385 7.5385 7.9042 7.9042 7.9111 7.9111 8.5116 8.5116 8.5712 8.5712 8.6095 8.6095 9.2933 9.2933 9.6344 9.6344 10.0485 10.0485 10.0863 10.0863 k = 0.0000 0.0000 0.0533 ( 5571 PWs) bands (ev): -19.6192 -19.6192 -19.6125 -19.6125 -6.2679 -6.2679 -6.1928 -6.1928 -4.4550 -4.4550 -4.2251 -4.2251 -4.0913 -4.0913 -4.0734 -4.0734 -0.4493 -0.4493 0.2344 0.2344 0.8422 0.8422 0.8626 0.8626 0.9472 0.9472 1.0217 1.0217 1.1669 1.1669 1.1861 1.1861 1.2486 1.2486 1.2711 1.2711 1.3094 1.3094 1.5021 1.5021 5.1845 5.1845 7.4507 7.4507 7.9114 7.9114 7.9184 7.9184 8.5548 8.5548 8.5920 8.5920 8.5933 8.5933 9.2971 9.2971 9.6339 9.6339 10.0623 10.0623 10.1007 10.1007 k = 0.0000 0.0000 0.0666 ( 5565 PWs) bands (ev): -19.6190 -19.6190 -19.6126 -19.6126 -6.2663 -6.2663 -6.1942 -6.1942 -4.4511 -4.4511 -4.2305 -4.2305 -4.0909 -4.0909 -4.0737 -4.0737 -0.4347 -0.4347 0.2223 0.2223 0.8427 0.8427 0.8622 0.8622 0.9483 0.9483 1.0197 1.0197 1.1673 1.1673 1.1857 1.1857 1.2491 1.2491 1.2706 1.2706 1.3111 1.3111 1.4943 1.4943 5.2193 5.2193 7.3542 7.3542 7.9205 7.9205 7.9278 7.9278 8.5350 8.5350 8.5705 8.5705 8.6813 8.6813 9.3020 9.3020 9.6334 9.6334 10.0800 10.0800 10.1192 10.1192 k = 0.0000 0.0000 0.0800 ( 5559 PWs) bands (ev): -19.6189 -19.6189 -19.6128 -19.6128 -6.2644 -6.2644 -6.1959 -6.1959 -4.4464 -4.4464 -4.2371 -4.2371 -4.0905 -4.0905 -4.0742 -4.0742 -0.4172 -0.4172 0.2076 0.2076 0.8432 0.8432 0.8617 0.8617 0.9496 0.9496 1.0174 1.0174 1.1678 1.1678 1.1853 1.1853 1.2496 1.2496 1.2701 1.2701 1.3134 1.3134 1.4853 1.4853 5.2612 5.2612 7.2523 7.2523 7.9316 7.9316 7.9392 7.9392 8.5117 8.5117 8.5455 8.5455 8.7729 8.7729 9.3079 9.3079 9.6332 9.6332 10.1016 10.1016 10.1416 10.1416 k = 0.0000 0.0000 0.0933 ( 5565 PWs) bands (ev): -19.6187 -19.6187 -19.6130 -19.6130 -6.2622 -6.2622 -6.1979 -6.1979 -4.4409 -4.4409 -4.2446 -4.2446 -4.0900 -4.0900 -4.0747 -4.0747 -0.3968 -0.3968 0.1903 0.1903 0.8437 0.8437 0.8612 0.8612 0.9511 0.9511 1.0147 1.0147 1.1683 1.1683 1.1847 1.1847 1.2503 1.2503 1.2695 1.2695 1.3160 1.3160 1.4754 1.4754 5.3100 5.3100 7.1471 7.1471 7.9447 7.9447 7.9527 7.9527 8.4857 8.4857 8.5176 8.5176 8.8655 8.8655 9.3146 9.3146 9.6336 9.6336 10.1271 10.1271 10.1682 10.1682 k = 0.0000 0.0000 0.1066 ( 5565 PWs) bands (ev): -19.6185 -19.6185 -19.6132 -19.6132 -6.2597 -6.2597 -6.2001 -6.2001 -4.4347 -4.4347 -4.2530 -4.2530 -4.0894 -4.0894 -4.0752 -4.0752 -0.3739 -0.3739 0.1705 0.1705 0.8444 0.8444 0.8605 0.8605 0.9528 0.9528 1.0117 1.0117 1.1689 1.1689 1.1841 1.1841 1.2510 1.2510 1.2688 1.2688 1.3191 1.3191 1.4647 1.4647 5.3652 5.3652 7.0399 7.0399 7.9597 7.9597 7.9681 7.9681 8.4574 8.4574 8.4873 8.4873 8.9576 8.9576 9.3222 9.3222 9.6355 9.6355 10.1564 10.1564 10.1987 10.1987 k = 0.0000 0.0000 0.1199 ( 5553 PWs) bands (ev): -19.6182 -19.6182 -19.6134 -19.6134 -6.2570 -6.2570 -6.2026 -6.2026 -4.4276 -4.4276 -4.2622 -4.2622 -4.0888 -4.0888 -4.0759 -4.0759 -0.3486 -0.3486 0.1483 0.1483 0.8451 0.8451 0.8598 0.8598 0.9549 0.9549 1.0084 1.0084 1.1696 1.1696 1.1834 1.1834 1.2518 1.2518 1.2680 1.2680 1.3227 1.3227 1.4536 1.4536 5.4266 5.4266 6.9317 6.9317 7.9766 7.9766 7.9855 7.9855 8.4274 8.4274 8.4554 8.4554 9.0472 9.0472 9.3304 9.3304 9.6399 9.6399 10.1894 10.1894 10.2332 10.2332 k = 0.0000 0.0000 0.1333 ( 5553 PWs) bands (ev): -19.6180 -19.6180 -19.6137 -19.6137 -6.2540 -6.2540 -6.2054 -6.2054 -4.4199 -4.4199 -4.2720 -4.2720 -4.0881 -4.0881 -4.0766 -4.0766 -0.3212 -0.3212 0.1239 0.1239 0.8459 0.8459 0.8590 0.8590 0.9571 0.9571 1.0050 1.0050 1.1704 1.1704 1.1827 1.1827 1.2526 1.2526 1.2671 1.2671 1.3267 1.3267 1.4423 1.4423 5.4936 5.4936 6.8231 6.8231 7.9953 7.9953 8.0048 8.0048 8.3961 8.3961 8.4222 8.4222 9.1321 9.1321 9.3391 9.3391 9.6485 9.6485 10.2258 10.2258 10.2716 10.2716 k = 0.0000 0.0000 0.1466 ( 5553 PWs) bands (ev): -19.6177 -19.6177 -19.6139 -19.6139 -6.2508 -6.2508 -6.2083 -6.2083 -4.4115 -4.4115 -4.2824 -4.2824 -4.0874 -4.0874 -4.0773 -4.0773 -0.2919 -0.2919 0.0974 0.0974 0.8467 0.8467 0.8582 0.8582 0.9595 0.9595 1.0013 1.0013 1.1711 1.1711 1.1819 1.1819 1.2536 1.2536 1.2662 1.2662 1.3313 1.3313 1.4309 1.4309 5.5659 5.5659 6.7146 6.7146 8.0159 8.0159 8.0259 8.0259 8.3639 8.3639 8.3883 8.3883 9.2095 9.2095 9.3481 9.3481 9.6643 9.6643 10.2653 10.2653 10.3140 10.3140 k = 0.0000 0.0000 0.1599 ( 5547 PWs) bands (ev): -19.6174 -19.6174 -19.6142 -19.6142 -6.2474 -6.2474 -6.2115 -6.2115 -4.4025 -4.4025 -4.2932 -4.2932 -4.0866 -4.0866 -4.0781 -4.0781 -0.2609 -0.2609 0.0690 0.0690 0.8476 0.8476 0.8573 0.8573 0.9621 0.9621 0.9976 0.9976 1.1720 1.1720 1.1811 1.1811 1.2545 1.2545 1.2653 1.2653 1.3363 1.3363 1.4198 1.4198 5.6432 5.6432 6.6068 6.6068 8.0381 8.0381 8.0489 8.0489 8.3313 8.3313 8.3539 8.3539 9.2753 9.2753 9.3573 9.3573 9.6911 9.6911 10.3060 10.3060 10.3603 10.3603 k = 0.0000 0.0000 0.1732 ( 5529 PWs) bands (ev): -19.6171 -19.6171 -19.6145 -19.6145 -6.2439 -6.2439 -6.2148 -6.2148 -4.3929 -4.3929 -4.3044 -4.3044 -4.0858 -4.0858 -4.0789 -4.0789 -0.2287 -0.2287 0.0389 0.0389 0.8485 0.8485 0.8564 0.8564 0.9651 0.9651 0.9937 0.9937 1.1728 1.1728 1.1803 1.1803 1.2555 1.2555 1.2643 1.2643 1.3421 1.3421 1.4090 1.4090 5.7250 5.7250 6.5001 6.5001 8.0620 8.0620 8.0735 8.0735 8.2986 8.2986 8.3196 8.3196 9.3258 9.3258 9.3663 9.3663 9.7327 9.7327 10.3377 10.3377 10.4104 10.4104 k = 0.0000 0.0000 0.1866 ( 5529 PWs) bands (ev): -19.6168 -19.6168 -19.6148 -19.6148 -6.2403 -6.2403 -6.2183 -6.2183 -4.3828 -4.3828 -4.3158 -4.3158 -4.0850 -4.0850 -4.0797 -4.0797 -0.1955 -0.1955 0.0074 0.0074 0.8494 0.8494 0.8555 0.8555 0.9681 0.9681 0.9899 0.9899 1.1737 1.1737 1.1794 1.1794 1.2566 1.2566 1.2632 1.2632 1.3483 1.3483 1.3986 1.3986 5.8110 5.8110 6.3947 6.3947 8.0874 8.0874 8.0998 8.0998 8.2660 8.2660 8.2855 8.2855 9.3597 9.3597 9.3747 9.3747 9.7903 9.7903 10.3035 10.3035 10.4411 10.4411 k = 0.0000 0.0000 0.1999 ( 5511 PWs) bands (ev): -19.6165 -19.6165 -19.6152 -19.6152 -6.2367 -6.2367 -6.2218 -6.2218 -4.3722 -4.3722 -4.3273 -4.3273 -4.0841 -4.0841 -4.0806 -4.0806 -0.1616 -0.1616 -0.0252 -0.0252 0.8504 0.8504 0.8545 0.8545 0.9714 0.9714 0.9860 0.9860 1.1747 1.1747 1.1785 1.1785 1.2577 1.2577 1.2622 1.2622 1.3551 1.3551 1.3887 1.3887 5.9008 5.9008 6.2911 6.2911 8.1143 8.1143 8.1277 8.1277 8.2339 8.2339 8.2520 8.2520 9.3792 9.3792 9.3820 9.3820 9.8620 9.8620 10.2171 10.2171 10.4858 10.4858 k = 0.0000 0.0000 0.2132 ( 5512 PWs) bands (ev): -19.6162 -19.6162 -19.6155 -19.6155 -6.2329 -6.2329 -6.2255 -6.2255 -4.3613 -4.3613 -4.3388 -4.3388 -4.0832 -4.0832 -4.0815 -4.0815 -0.1272 -0.1272 -0.0588 -0.0588 0.8514 0.8514 0.8535 0.8535 0.9749 0.9749 0.9822 0.9822 1.1756 1.1756 1.1775 1.1775 1.2588 1.2588 1.2611 1.2611 1.3626 1.3626 1.3794 1.3794 5.9941 5.9941 6.1895 6.1895 8.1426 8.1426 8.1570 8.1570 8.2025 8.2025 8.2193 8.2193 9.3875 9.3875 9.3882 9.3882 9.9437 9.9437 10.1241 10.1241 10.5424 10.5424 k = 0.0000 0.0000 0.2265 ( 5512 PWs) bands (ev): -19.6158 -19.6158 -19.6158 -19.6158 -6.2292 -6.2292 -6.2292 -6.2292 -4.3501 -4.3501 -4.3501 -4.3501 -4.0823 -4.0823 -4.0823 -4.0823 -0.0929 -0.0929 -0.0929 -0.0929 0.8525 0.8525 0.8525 0.8525 0.9785 0.9785 0.9785 0.9785 1.1766 1.1766 1.1766 1.1766 1.2600 1.2600 1.2600 1.2600 1.3707 1.3707 1.3707 1.3707 6.0904 6.0904 6.0904 6.0904 8.1720 8.1720 8.1720 8.1720 8.1875 8.1875 8.1875 8.1875 9.3901 9.3901 9.3901 9.3901 10.0320 10.0320 10.0320 10.0320 10.6046 10.6046 k = 0.0000 0.0000 0.2265 ( 5512 PWs) bands (ev): -19.6158 -19.6158 -19.6158 -19.6158 -6.2292 -6.2292 -6.2292 -6.2292 -4.3501 -4.3501 -4.3501 -4.3501 -4.0823 -4.0823 -4.0823 -4.0823 -0.0929 -0.0929 -0.0929 -0.0929 0.8525 0.8525 0.8525 0.8525 0.9785 0.9785 0.9785 0.9785 1.1766 1.1766 1.1766 1.1766 1.2600 1.2600 1.2600 1.2600 1.3707 1.3707 1.3707 1.3707 6.0904 6.0904 6.0904 6.0904 8.1720 8.1720 8.1720 8.1720 8.1875 8.1875 8.1875 8.1875 9.3901 9.3901 9.3901 9.3901 10.0320 10.0320 10.0320 10.0320 10.6046 10.6046 k = 0.0119 0.0069 0.2265 ( 5516 PWs) bands (ev): -19.6158 -19.6158 -19.6158 -19.6158 -6.2294 -6.2294 -6.2294 -6.2294 -4.3502 -4.3502 -4.3502 -4.3502 -4.0829 -4.0829 -4.0829 -4.0829 -0.0920 -0.0920 -0.0920 -0.0920 0.8525 0.8525 0.8525 0.8525 0.9785 0.9785 0.9785 0.9785 1.1767 1.1767 1.1767 1.1767 1.2599 1.2599 1.2599 1.2599 1.3709 1.3709 1.3709 1.3709 6.0917 6.0917 6.0917 6.0917 8.1557 8.1557 8.1557 8.1557 8.1801 8.1801 8.1801 8.1801 9.4089 9.4089 9.4089 9.4089 10.0270 10.0270 10.0270 10.0270 10.6075 10.6075 k = 0.0238 0.0137 0.2265 ( 5520 PWs) bands (ev): -19.6156 -19.6156 -19.6156 -19.6156 -6.2298 -6.2298 -6.2298 -6.2298 -4.3503 -4.3503 -4.3503 -4.3503 -4.0845 -4.0845 -4.0845 -4.0845 -0.0895 -0.0895 -0.0895 -0.0895 0.8527 0.8527 0.8527 0.8527 0.9787 0.9787 0.9787 0.9787 1.1770 1.1770 1.1770 1.1770 1.2598 1.2598 1.2598 1.2598 1.3717 1.3717 1.3717 1.3717 6.0956 6.0956 6.0956 6.0956 8.0975 8.0975 8.0975 8.0975 8.1709 8.1709 8.1709 8.1709 9.4608 9.4608 9.4608 9.4608 10.0132 10.0132 10.0132 10.0132 10.6135 10.6135 k = 0.0357 0.0206 0.2265 ( 5524 PWs) bands (ev): -19.6154 -19.6154 -19.6154 -19.6154 -6.2305 -6.2305 -6.2305 -6.2305 -4.3505 -4.3505 -4.3505 -4.3505 -4.0872 -4.0872 -4.0872 -4.0872 -0.0853 -0.0853 -0.0853 -0.0853 0.8530 0.8530 0.8530 0.8530 0.9789 0.9789 0.9789 0.9789 1.1775 1.1775 1.1775 1.1775 1.2596 1.2596 1.2596 1.2596 1.3730 1.3730 1.3730 1.3730 6.1019 6.1019 6.1019 6.1019 8.0080 8.0080 8.0080 8.0080 8.1585 8.1585 8.1585 8.1585 9.5346 9.5346 9.5346 9.5346 9.9948 9.9948 9.9948 9.9948 10.6191 10.6191 k = 0.0476 0.0275 0.2265 ( 5528 PWs) bands (ev): -19.6150 -19.6150 -19.6150 -19.6150 -6.2315 -6.2315 -6.2315 -6.2315 -4.3507 -4.3507 -4.3507 -4.3507 -4.0909 -4.0909 -4.0909 -4.0909 -0.0795 -0.0795 -0.0795 -0.0795 0.8535 0.8535 0.8535 0.8535 0.9793 0.9793 0.9793 0.9793 1.1782 1.1782 1.1782 1.1782 1.2593 1.2593 1.2593 1.2593 1.3748 1.3748 1.3748 1.3748 6.1107 6.1107 6.1107 6.1107 7.8977 7.8977 7.8977 7.8977 8.1419 8.1419 8.1419 8.1419 9.6156 9.6156 9.6156 9.6156 9.9796 9.9796 9.9796 9.9796 10.6240 10.6240 k = 0.0595 0.0344 0.2265 ( 5528 PWs) bands (ev): -19.6145 -19.6145 -19.6145 -19.6145 -6.2328 -6.2328 -6.2328 -6.2328 -4.3511 -4.3511 -4.3511 -4.3511 -4.0956 -4.0956 -4.0956 -4.0956 -0.0721 -0.0721 -0.0721 -0.0721 0.8541 0.8541 0.8541 0.8541 0.9798 0.9798 0.9798 0.9798 1.1791 1.1791 1.1791 1.1791 1.2590 1.2590 1.2590 1.2590 1.3771 1.3771 1.3771 1.3771 6.1216 6.1216 6.1216 6.1216 7.7739 7.7739 7.7739 7.7739 8.1210 8.1210 8.1210 8.1210 9.6832 9.6832 9.6832 9.6832 9.9827 9.9827 9.9827 9.9827 10.6296 10.6296 k = 0.0714 0.0412 0.2265 ( 5536 PWs) bands (ev): -19.6139 -19.6139 -19.6139 -19.6139 -6.2344 -6.2344 -6.2344 -6.2344 -4.3516 -4.3516 -4.3516 -4.3516 -4.1012 -4.1012 -4.1012 -4.1012 -0.0631 -0.0631 -0.0631 -0.0631 0.8548 0.8548 0.8548 0.8548 0.9803 0.9803 0.9803 0.9803 1.1801 1.1801 1.1801 1.1801 1.2587 1.2587 1.2587 1.2587 1.3799 1.3799 1.3799 1.3799 6.1346 6.1346 6.1346 6.1346 7.6418 7.6418 7.6418 7.6418 8.0961 8.0961 8.0961 8.0961 9.7136 9.7136 9.7136 9.7136 10.0242 10.0242 10.0242 10.0242 10.6371 10.6371 k = 0.0833 0.0481 0.2265 ( 5538 PWs) bands (ev): -19.6133 -19.6133 -19.6133 -19.6133 -6.2363 -6.2363 -6.2363 -6.2363 -4.3522 -4.3522 -4.3522 -4.3522 -4.1077 -4.1077 -4.1077 -4.1077 -0.0526 -0.0526 -0.0526 -0.0526 0.8556 0.8556 0.8556 0.8556 0.9810 0.9810 0.9810 0.9810 1.1814 1.1814 1.1814 1.1814 1.2583 1.2583 1.2583 1.2583 1.3833 1.3833 1.3833 1.3833 6.1492 6.1492 6.1492 6.1492 7.5049 7.5049 7.5049 7.5049 8.0675 8.0675 8.0675 8.0675 9.7047 9.7047 9.7047 9.7047 10.1033 10.1033 10.1033 10.1033 10.6465 10.6465 k = 0.0952 0.0550 0.2265 ( 5530 PWs) bands (ev): -19.6125 -19.6125 -19.6125 -19.6125 -6.2384 -6.2384 -6.2384 -6.2384 -4.3529 -4.3529 -4.3529 -4.3529 -4.1149 -4.1149 -4.1149 -4.1149 -0.0407 -0.0407 -0.0407 -0.0407 0.8565 0.8565 0.8565 0.8565 0.9819 0.9819 0.9819 0.9819 1.1829 1.1829 1.1829 1.1829 1.2579 1.2579 1.2579 1.2579 1.3872 1.3872 1.3872 1.3872 6.1649 6.1649 6.1649 6.1649 7.3657 7.3657 7.3657 7.3657 8.0354 8.0354 8.0354 8.0354 9.6735 9.6735 9.6735 9.6735 10.2003 10.2003 10.2003 10.2003 10.6554 10.6554 k = 0.1071 0.0619 0.2265 ( 5530 PWs) bands (ev): -19.6117 -19.6117 -19.6117 -19.6117 -6.2408 -6.2408 -6.2408 -6.2408 -4.3538 -4.3538 -4.3538 -4.3538 -4.1228 -4.1228 -4.1228 -4.1228 -0.0274 -0.0274 -0.0274 -0.0274 0.8576 0.8576 0.8576 0.8576 0.9829 0.9829 0.9829 0.9829 1.1845 1.1845 1.1845 1.1845 1.2574 1.2574 1.2574 1.2574 1.3917 1.3917 1.3917 1.3917 6.1809 6.1809 6.1809 6.1809 7.2265 7.2265 7.2265 7.2265 8.0004 8.0004 8.0004 8.0004 9.6313 9.6313 9.6313 9.6313 10.3006 10.3006 10.3006 10.3006 10.6517 10.6517 k = 0.1190 0.0687 0.2265 ( 5528 PWs) bands (ev): -19.6108 -19.6108 -19.6108 -19.6108 -6.2435 -6.2435 -6.2435 -6.2435 -4.3549 -4.3549 -4.3549 -4.3549 -4.1313 -4.1313 -4.1313 -4.1313 -0.0129 -0.0129 -0.0129 -0.0129 0.8587 0.8587 0.8587 0.8587 0.9840 0.9840 0.9840 0.9840 1.1862 1.1862 1.1862 1.1862 1.2570 1.2570 1.2570 1.2570 1.3968 1.3968 1.3968 1.3968 6.1959 6.1959 6.1959 6.1959 7.0896 7.0896 7.0896 7.0896 7.9627 7.9627 7.9627 7.9627 9.5829 9.5829 9.5829 9.5829 10.3924 10.3924 10.3924 10.3924 10.6374 10.6374 k = 0.1310 0.0756 0.2265 ( 5520 PWs) bands (ev): -19.6098 -19.6098 -19.6098 -19.6098 -6.2464 -6.2464 -6.2464 -6.2464 -4.3563 -4.3563 -4.3563 -4.3563 -4.1401 -4.1401 -4.1401 -4.1401 0.0029 0.0029 0.0029 0.0029 0.8600 0.8600 0.8600 0.8600 0.9853 0.9853 0.9853 0.9853 1.1881 1.1881 1.1881 1.1881 1.2566 1.2566 1.2566 1.2566 1.4025 1.4025 1.4025 1.4025 6.2075 6.2075 6.2075 6.2075 6.9580 6.9580 6.9580 6.9580 7.9227 7.9227 7.9227 7.9227 9.5305 9.5305 9.5305 9.5305 10.4542 10.4542 10.4542 10.4542 10.6448 10.6448 k = 0.1429 0.0825 0.2265 ( 5514 PWs) bands (ev): -19.6087 -19.6087 -19.6087 -19.6087 -6.2496 -6.2496 -6.2496 -6.2496 -4.3579 -4.3579 -4.3579 -4.3579 -4.1493 -4.1493 -4.1493 -4.1493 0.0197 0.0197 0.0197 0.0197 0.8613 0.8613 0.8613 0.8613 0.9868 0.9868 0.9868 0.9868 1.1902 1.1902 1.1902 1.1902 1.2562 1.2562 1.2562 1.2562 1.4089 1.4089 1.4089 1.4089 6.2114 6.2114 6.2114 6.2114 6.8364 6.8364 6.8364 6.8364 7.8809 7.8809 7.8809 7.8809 9.4751 9.4751 9.4751 9.4751 10.4646 10.4646 10.4646 10.4646 10.6991 10.6991 k = 0.1548 0.0894 0.2265 ( 5506 PWs) bands (ev): -19.6075 -19.6075 -19.6075 -19.6075 -6.2530 -6.2530 -6.2530 -6.2530 -4.3599 -4.3599 -4.3599 -4.3599 -4.1587 -4.1587 -4.1587 -4.1587 0.0374 0.0374 0.0374 0.0374 0.8627 0.8627 0.8627 0.8627 0.9885 0.9885 0.9885 0.9885 1.1923 1.1923 1.1923 1.1923 1.2559 1.2559 1.2559 1.2559 1.4159 1.4159 1.4159 1.4159 6.2005 6.2005 6.2005 6.2005 6.7323 6.7323 6.7323 6.7323 7.8375 7.8375 7.8375 7.8375 9.4171 9.4171 9.4171 9.4171 10.4448 10.4448 10.4448 10.4448 10.7772 10.7772 k = 0.1667 0.0962 0.2265 ( 5518 PWs) bands (ev): -19.6063 -19.6063 -19.6063 -19.6063 -6.2567 -6.2567 -6.2567 -6.2567 -4.3622 -4.3622 -4.3622 -4.3622 -4.1680 -4.1680 -4.1680 -4.1680 0.0560 0.0560 0.0560 0.0560 0.8642 0.8642 0.8642 0.8642 0.9904 0.9904 0.9904 0.9904 1.1945 1.1945 1.1945 1.1945 1.2555 1.2555 1.2555 1.2555 1.4237 1.4237 1.4237 1.4237 6.1643 6.1643 6.1643 6.1643 6.6562 6.6562 6.6562 6.6562 7.7931 7.7931 7.7931 7.7931 9.3572 9.3572 9.3572 9.3572 10.4168 10.4168 10.4168 10.4168 10.8421 10.8421 k = 0.1786 0.1031 0.2265 ( 5518 PWs) bands (ev): -19.6051 -19.6051 -19.6051 -19.6051 -6.2605 -6.2605 -6.2605 -6.2605 -4.3651 -4.3651 -4.3651 -4.3651 -4.1772 -4.1772 -4.1772 -4.1772 0.0754 0.0754 0.0754 0.0754 0.8657 0.8657 0.8657 0.8657 0.9924 0.9924 0.9924 0.9924 1.1968 1.1968 1.1968 1.1968 1.2553 1.2553 1.2553 1.2553 1.4323 1.4323 1.4323 1.4323 6.0965 6.0965 6.0965 6.0965 6.6149 6.6149 6.6149 6.6149 7.7478 7.7478 7.7478 7.7478 9.2957 9.2957 9.2957 9.2957 10.3878 10.3878 10.3878 10.3878 10.8932 10.8932 k = 0.1905 0.1100 0.2265 ( 5518 PWs) bands (ev): -19.6038 -19.6038 -19.6038 -19.6038 -6.2646 -6.2646 -6.2646 -6.2646 -4.3684 -4.3684 -4.3684 -4.3684 -4.1862 -4.1862 -4.1862 -4.1862 0.0953 0.0953 0.0953 0.0953 0.8673 0.8673 0.8673 0.8673 0.9947 0.9947 0.9947 0.9947 1.1992 1.1992 1.1992 1.1992 1.2551 1.2551 1.2551 1.2551 1.4417 1.4417 1.4417 1.4417 6.0011 6.0011 6.0011 6.0011 6.6042 6.6042 6.6042 6.6042 7.7020 7.7020 7.7020 7.7020 9.2331 9.2331 9.2331 9.2331 10.3601 10.3601 10.3601 10.3601 10.9452 10.9452 k = 0.2024 0.1168 0.2265 ( 5528 PWs) bands (ev): -19.6024 -19.6024 -19.6024 -19.6024 -6.2688 -6.2688 -6.2688 -6.2688 -4.3723 -4.3723 -4.3723 -4.3723 -4.1947 -4.1947 -4.1947 -4.1947 0.1157 0.1157 0.1157 0.1157 0.8689 0.8689 0.8689 0.8689 0.9973 0.9973 0.9973 0.9973 1.2016 1.2016 1.2016 1.2016 1.2550 1.2550 1.2550 1.2550 1.4521 1.4521 1.4521 1.4521 5.8885 5.8885 5.8885 5.8885 6.6140 6.6140 6.6140 6.6140 7.6560 7.6560 7.6560 7.6560 9.1698 9.1698 9.1698 9.1698 10.3344 10.3344 10.3344 10.3344 11.0004 11.0004 k = 0.2143 0.1237 0.2265 ( 5540 PWs) bands (ev): -19.6010 -19.6010 -19.6010 -19.6010 -6.2732 -6.2732 -6.2732 -6.2732 -4.3769 -4.3769 -4.3769 -4.3769 -4.2027 -4.2027 -4.2027 -4.2027 0.1365 0.1365 0.1365 0.1365 0.8705 0.8705 0.8705 0.8705 1.0000 1.0000 1.0000 1.0000 1.2040 1.2040 1.2040 1.2040 1.2550 1.2550 1.2550 1.2550 1.4634 1.4634 1.4634 1.4634 5.7666 5.7666 5.7666 5.7666 6.6361 6.6361 6.6361 6.6361 7.6102 7.6102 7.6102 7.6102 9.1064 9.1064 9.1064 9.1064 10.3106 10.3106 10.3106 10.3106 11.0591 11.0591 k = 0.2262 0.1306 0.2265 ( 5548 PWs) bands (ev): -19.5996 -19.5996 -19.5996 -19.5996 -6.2777 -6.2777 -6.2777 -6.2777 -4.3821 -4.3821 -4.3821 -4.3821 -4.2100 -4.2100 -4.2100 -4.2100 0.1574 0.1574 0.1574 0.1574 0.8722 0.8722 0.8722 0.8722 1.0031 1.0031 1.0031 1.0031 1.2064 1.2064 1.2064 1.2064 1.2551 1.2551 1.2551 1.2551 1.4759 1.4759 1.4759 1.4759 5.6404 5.6404 5.6404 5.6404 6.6657 6.6657 6.6657 6.6657 7.5646 7.5646 7.5646 7.5646 9.0432 9.0432 9.0432 9.0432 10.2882 10.2882 10.2882 10.2882 11.1213 11.1213 k = 0.2381 0.1375 0.2265 ( 5542 PWs) bands (ev): -19.5982 -19.5982 -19.5982 -19.5982 -6.2824 -6.2824 -6.2824 -6.2824 -4.3879 -4.3879 -4.3879 -4.3879 -4.2165 -4.2165 -4.2165 -4.2165 0.1783 0.1783 0.1783 0.1783 0.8738 0.8738 0.8738 0.8738 1.0063 1.0063 1.0063 1.0063 1.2088 1.2088 1.2088 1.2088 1.2553 1.2553 1.2553 1.2553 1.4895 1.4895 1.4895 1.4895 5.5126 5.5126 5.5126 5.5126 6.7001 6.7001 6.7001 6.7001 7.5197 7.5197 7.5197 7.5197 8.9807 8.9807 8.9807 8.9807 10.2667 10.2667 10.2667 10.2667 11.1867 11.1867 k = 0.2500 0.1443 0.2265 ( 5542 PWs) bands (ev): -19.5968 -19.5968 -19.5968 -19.5968 -6.2871 -6.2871 -6.2871 -6.2871 -4.3944 -4.3944 -4.3944 -4.3944 -4.2222 -4.2222 -4.2222 -4.2222 0.1991 0.1991 0.1991 0.1991 0.8755 0.8755 0.8755 0.8755 1.0098 1.0098 1.0098 1.0098 1.2111 1.2111 1.2111 1.2111 1.2556 1.2556 1.2556 1.2556 1.5043 1.5043 1.5043 1.5043 5.3848 5.3848 5.3848 5.3848 6.7376 6.7376 6.7376 6.7376 7.4756 7.4756 7.4756 7.4756 8.9193 8.9193 8.9193 8.9193 10.2453 10.2453 10.2453 10.2453 11.2551 11.2551 k = 0.2619 0.1512 0.2265 ( 5546 PWs) bands (ev): -19.5954 -19.5954 -19.5954 -19.5954 -6.2919 -6.2919 -6.2919 -6.2919 -4.4015 -4.4015 -4.4015 -4.4015 -4.2272 -4.2272 -4.2272 -4.2272 0.2197 0.2197 0.2197 0.2197 0.8771 0.8771 0.8771 0.8771 1.0136 1.0136 1.0136 1.0136 1.2134 1.2134 1.2134 1.2134 1.2560 1.2560 1.2560 1.2560 1.5205 1.5205 1.5205 1.5205 5.2579 5.2579 5.2579 5.2579 6.7772 6.7772 6.7772 6.7772 7.4325 7.4325 7.4325 7.4325 8.8595 8.8595 8.8595 8.8595 10.2233 10.2233 10.2233 10.2233 11.3261 11.3261 k = 0.2738 0.1581 0.2265 ( 5538 PWs) bands (ev): -19.5939 -19.5939 -19.5939 -19.5939 -6.2968 -6.2968 -6.2968 -6.2968 -4.4091 -4.4091 -4.4091 -4.4091 -4.2313 -4.2313 -4.2313 -4.2313 0.2399 0.2399 0.2399 0.2399 0.8786 0.8786 0.8786 0.8786 1.0175 1.0175 1.0175 1.0175 1.2156 1.2156 1.2156 1.2156 1.2566 1.2566 1.2566 1.2566 1.5381 1.5381 1.5381 1.5381 5.1326 5.1326 5.1326 5.1326 6.8183 6.8183 6.8183 6.8183 7.3906 7.3906 7.3906 7.3906 8.8016 8.8016 8.8016 8.8016 10.1999 10.1999 10.1999 10.1999 11.3995 11.3995 k = 0.2857 0.1650 0.2265 ( 5542 PWs) bands (ev): -19.5925 -19.5925 -19.5925 -19.5925 -6.3016 -6.3016 -6.3016 -6.3016 -4.4171 -4.4171 -4.4171 -4.4171 -4.2347 -4.2347 -4.2347 -4.2347 0.2595 0.2595 0.2595 0.2595 0.8802 0.8802 0.8802 0.8802 1.0216 1.0216 1.0216 1.0216 1.2176 1.2176 1.2176 1.2176 1.2572 1.2572 1.2572 1.2572 1.5572 1.5572 1.5572 1.5572 5.0094 5.0094 5.0094 5.0094 6.8601 6.8601 6.8601 6.8601 7.3500 7.3500 7.3500 7.3500 8.7458 8.7458 8.7458 8.7458 10.1746 10.1746 10.1746 10.1746 11.4748 11.4748 k = 0.2976 0.1718 0.2265 ( 5546 PWs) bands (ev): -19.5912 -19.5912 -19.5912 -19.5912 -6.3065 -6.3065 -6.3065 -6.3065 -4.4253 -4.4253 -4.4253 -4.4253 -4.2375 -4.2375 -4.2375 -4.2375 0.2785 0.2785 0.2785 0.2785 0.8816 0.8816 0.8816 0.8816 1.0258 1.0258 1.0258 1.0258 1.2196 1.2196 1.2196 1.2196 1.2580 1.2580 1.2580 1.2580 1.5778 1.5778 1.5778 1.5778 4.8887 4.8887 4.8887 4.8887 6.9024 6.9024 6.9024 6.9024 7.3110 7.3110 7.3110 7.3110 8.6925 8.6925 8.6925 8.6925 10.1469 10.1469 10.1469 10.1469 11.5517 11.5517 k = 0.3095 0.1787 0.2265 ( 5548 PWs) bands (ev): -19.5898 -19.5898 -19.5898 -19.5898 -6.3113 -6.3113 -6.3113 -6.3113 -4.4337 -4.4337 -4.4337 -4.4337 -4.2396 -4.2396 -4.2396 -4.2396 0.2966 0.2966 0.2966 0.2966 0.8830 0.8830 0.8830 0.8830 1.0301 1.0301 1.0301 1.0301 1.2215 1.2215 1.2215 1.2215 1.2589 1.2589 1.2589 1.2589 1.5999 1.5999 1.5999 1.5999 4.7708 4.7708 4.7708 4.7708 6.9446 6.9446 6.9446 6.9446 7.2737 7.2737 7.2737 7.2737 8.6419 8.6419 8.6419 8.6419 10.1167 10.1167 10.1167 10.1167 11.6295 11.6295 k = 0.3214 0.1856 0.2265 ( 5556 PWs) bands (ev): -19.5885 -19.5885 -19.5885 -19.5885 -6.3159 -6.3159 -6.3159 -6.3159 -4.4421 -4.4421 -4.4421 -4.4421 -4.2413 -4.2413 -4.2413 -4.2413 0.3139 0.3139 0.3139 0.3139 0.8843 0.8843 0.8843 0.8843 1.0345 1.0345 1.0345 1.0345 1.2232 1.2232 1.2232 1.2232 1.2598 1.2598 1.2598 1.2598 1.6236 1.6236 1.6236 1.6236 4.6561 4.6561 4.6561 4.6561 6.9863 6.9863 6.9863 6.9863 7.2384 7.2384 7.2384 7.2384 8.5943 8.5943 8.5943 8.5943 10.0838 10.0838 10.0838 10.0838 11.7079 11.7079 k = 0.3333 0.1925 0.2265 ( 5560 PWs) bands (ev): -19.5872 -19.5872 -19.5872 -19.5872 -6.3205 -6.3205 -6.3205 -6.3205 -4.4505 -4.4505 -4.4505 -4.4505 -4.2425 -4.2425 -4.2425 -4.2425 0.3303 0.3303 0.3303 0.3303 0.8856 0.8856 0.8856 0.8856 1.0388 1.0388 1.0388 1.0388 1.2248 1.2248 1.2248 1.2248 1.2608 1.2608 1.2608 1.2608 1.6488 1.6488 1.6488 1.6488 4.5450 4.5450 4.5450 4.5450 7.0268 7.0268 7.0268 7.0268 7.2054 7.2054 7.2054 7.2054 8.5499 8.5499 8.5499 8.5499 10.0484 10.0484 10.0484 10.0484 11.7862 11.7862 k = 0.3452 0.1993 0.2265 ( 5560 PWs) bands (ev): -19.5860 -19.5860 -19.5860 -19.5860 -6.3250 -6.3250 -6.3250 -6.3250 -4.4586 -4.4586 -4.4586 -4.4586 -4.2433 -4.2433 -4.2433 -4.2433 0.3456 0.3456 0.3456 0.3456 0.8867 0.8867 0.8867 0.8867 1.0431 1.0431 1.0431 1.0431 1.2263 1.2263 1.2263 1.2263 1.2619 1.2619 1.2619 1.2619 1.6754 1.6754 1.6754 1.6754 4.4376 4.4376 4.4376 4.4376 7.0651 7.0651 7.0651 7.0651 7.1757 7.1757 7.1757 7.1757 8.5087 8.5087 8.5087 8.5087 10.0108 10.0108 10.0108 10.0108 11.8639 11.8639 k = 0.3571 0.2062 0.2265 ( 5550 PWs) bands (ev): -19.5849 -19.5849 -19.5849 -19.5849 -6.3292 -6.3292 -6.3292 -6.3292 -4.4665 -4.4665 -4.4665 -4.4665 -4.2438 -4.2438 -4.2438 -4.2438 0.3598 0.3598 0.3598 0.3598 0.8878 0.8878 0.8878 0.8878 1.0473 1.0473 1.0473 1.0473 1.2277 1.2277 1.2277 1.2277 1.2630 1.2630 1.2630 1.2630 1.7033 1.7033 1.7033 1.7033 4.3344 4.3344 4.3344 4.3344 7.0961 7.0961 7.0961 7.0961 7.1539 7.1539 7.1539 7.1539 8.4710 8.4710 8.4710 8.4710 9.9717 9.9717 9.9717 9.9717 11.9403 11.9403 k = 0.3690 0.2131 0.2265 ( 5560 PWs) bands (ev): -19.5838 -19.5838 -19.5838 -19.5838 -6.3332 -6.3332 -6.3332 -6.3332 -4.4740 -4.4740 -4.4740 -4.4740 -4.2441 -4.2441 -4.2441 -4.2441 0.3728 0.3728 0.3728 0.3728 0.8888 0.8888 0.8888 0.8888 1.0513 1.0513 1.0513 1.0513 1.2289 1.2289 1.2289 1.2289 1.2641 1.2641 1.2641 1.2641 1.7321 1.7321 1.7321 1.7321 4.2358 4.2358 4.2358 4.2358 7.0991 7.0991 7.0991 7.0991 7.1606 7.1606 7.1606 7.1606 8.4369 8.4369 8.4369 8.4369 9.9315 9.9315 9.9315 9.9315 12.0147 12.0147 k = 0.3810 0.2199 0.2265 ( 5556 PWs) bands (ev): -19.5828 -19.5828 -19.5828 -19.5828 -6.3370 -6.3370 -6.3370 -6.3370 -4.4810 -4.4810 -4.4810 -4.4810 -4.2442 -4.2442 -4.2442 -4.2442 0.3847 0.3847 0.3847 0.3847 0.8897 0.8897 0.8897 0.8897 1.0551 1.0551 1.0551 1.0551 1.2301 1.2301 1.2301 1.2301 1.2651 1.2651 1.2651 1.2651 1.7617 1.7617 1.7617 1.7617 4.1422 4.1422 4.1422 4.1422 7.0800 7.0800 7.0800 7.0800 7.1895 7.1895 7.1895 7.1895 8.4064 8.4064 8.4064 8.4064 9.8910 9.8910 9.8910 9.8910 12.0864 12.0864 k = 0.3929 0.2268 0.2265 ( 5556 PWs) bands (ev): -19.5818 -19.5818 -19.5818 -19.5818 -6.3406 -6.3406 -6.3406 -6.3406 -4.4876 -4.4876 -4.4876 -4.4876 -4.2442 -4.2442 -4.2442 -4.2442 0.3954 0.3954 0.3954 0.3954 0.8905 0.8905 0.8905 0.8905 1.0587 1.0587 1.0587 1.0587 1.2311 1.2311 1.2311 1.2311 1.2661 1.2661 1.2661 1.2661 1.7916 1.7916 1.7916 1.7916 4.0542 4.0542 4.0542 4.0542 7.0586 7.0586 7.0586 7.0586 7.2207 7.2207 7.2207 7.2207 8.3795 8.3795 8.3795 8.3795 9.8510 9.8510 9.8510 9.8510 12.1546 12.1546 k = 0.4048 0.2337 0.2265 ( 5558 PWs) bands (ev): -19.5810 -19.5810 -19.5810 -19.5810 -6.3438 -6.3438 -6.3438 -6.3438 -4.4936 -4.4936 -4.4936 -4.4936 -4.2441 -4.2441 -4.2441 -4.2441 0.4049 0.4049 0.4049 0.4049 0.8913 0.8913 0.8913 0.8913 1.0619 1.0619 1.0619 1.0619 1.2320 1.2320 1.2320 1.2320 1.2671 1.2671 1.2671 1.2671 1.8214 1.8214 1.8214 1.8214 3.9722 3.9722 3.9722 3.9722 7.0384 7.0384 7.0384 7.0384 7.2504 7.2504 7.2504 7.2504 8.3563 8.3563 8.3563 8.3563 9.8122 9.8122 9.8122 9.8122 12.2183 12.2183 k = 0.4167 0.2406 0.2265 ( 5556 PWs) bands (ev): -19.5802 -19.5802 -19.5802 -19.5802 -6.3467 -6.3467 -6.3467 -6.3467 -4.4990 -4.4990 -4.4990 -4.4990 -4.2439 -4.2439 -4.2439 -4.2439 0.4133 0.4133 0.4133 0.4133 0.8919 0.8919 0.8919 0.8919 1.0648 1.0648 1.0648 1.0648 1.2329 1.2329 1.2329 1.2329 1.2680 1.2680 1.2680 1.2680 1.8504 1.8504 1.8504 1.8504 3.8970 3.8970 3.8970 3.8970 7.0201 7.0201 7.0201 7.0201 7.2775 7.2775 7.2775 7.2775 8.3366 8.3366 8.3366 8.3366 9.7755 9.7755 9.7755 9.7755 12.2769 12.2769 k = 0.4286 0.2474 0.2265 ( 5560 PWs) bands (ev): -19.5795 -19.5795 -19.5795 -19.5795 -6.3493 -6.3493 -6.3493 -6.3493 -4.5037 -4.5037 -4.5037 -4.5037 -4.2437 -4.2437 -4.2437 -4.2437 0.4205 0.4205 0.4205 0.4205 0.8924 0.8924 0.8924 0.8924 1.0674 1.0674 1.0674 1.0674 1.2336 1.2336 1.2336 1.2336 1.2687 1.2687 1.2687 1.2687 1.8780 1.8780 1.8780 1.8780 3.8293 3.8293 3.8293 3.8293 7.0041 7.0041 7.0041 7.0041 7.3016 7.3016 7.3016 7.3016 8.3203 8.3203 8.3203 8.3203 9.7417 9.7417 9.7417 9.7417 12.3293 12.3293 k = 0.4405 0.2543 0.2265 ( 5560 PWs) bands (ev): -19.5789 -19.5789 -19.5789 -19.5789 -6.3515 -6.3515 -6.3515 -6.3515 -4.5078 -4.5078 -4.5078 -4.5078 -4.2434 -4.2434 -4.2434 -4.2434 0.4266 0.4266 0.4266 0.4266 0.8929 0.8929 0.8929 0.8929 1.0696 1.0696 1.0696 1.0696 1.2342 1.2342 1.2342 1.2342 1.2694 1.2694 1.2694 1.2694 1.9034 1.9034 1.9034 1.9034 3.7700 3.7700 3.7700 3.7700 6.9904 6.9904 6.9904 6.9904 7.3224 7.3224 7.3224 7.3224 8.3072 8.3072 8.3072 8.3072 9.7115 9.7115 9.7115 9.7115 12.3749 12.3749 k = 0.4524 0.2612 0.2265 ( 5552 PWs) bands (ev): -19.5785 -19.5785 -19.5785 -19.5785 -6.3534 -6.3534 -6.3534 -6.3534 -4.5112 -4.5112 -4.5112 -4.5112 -4.2432 -4.2432 -4.2432 -4.2432 0.4315 0.4315 0.4315 0.4315 0.8933 0.8933 0.8933 0.8933 1.0714 1.0714 1.0714 1.0714 1.2347 1.2347 1.2347 1.2347 1.2700 1.2700 1.2700 1.2700 1.9258 1.9258 1.9258 1.9258 3.7197 3.7197 3.7197 3.7197 6.9791 6.9791 6.9791 6.9791 7.3396 7.3396 7.3396 7.3396 8.2970 8.2970 8.2970 8.2970 9.6857 9.6857 9.6857 9.6857 12.4130 12.4130 k = 0.4643 0.2681 0.2265 ( 5550 PWs) bands (ev): -19.5781 -19.5781 -19.5781 -19.5781 -6.3548 -6.3548 -6.3548 -6.3548 -4.5138 -4.5138 -4.5138 -4.5138 -4.2430 -4.2430 -4.2430 -4.2430 0.4353 0.4353 0.4353 0.4353 0.8936 0.8936 0.8936 0.8936 1.0729 1.0729 1.0729 1.0729 1.2351 1.2351 1.2351 1.2351 1.2705 1.2705 1.2705 1.2705 1.9444 1.9444 1.9444 1.9444 3.6795 3.6795 3.6795 3.6795 6.9702 6.9702 6.9702 6.9702 7.3531 7.3531 7.3531 7.3531 8.2895 8.2895 8.2895 8.2895 9.6649 9.6649 9.6649 9.6649 12.4431 12.4431 k = 0.4762 0.2749 0.2265 ( 5536 PWs) bands (ev): -19.5778 -19.5778 -19.5778 -19.5778 -6.3559 -6.3559 -6.3559 -6.3559 -4.5157 -4.5157 -4.5157 -4.5157 -4.2429 -4.2429 -4.2429 -4.2429 0.4381 0.4381 0.4381 0.4381 0.8938 0.8938 0.8938 0.8938 1.0739 1.0739 1.0739 1.0739 1.2354 1.2354 1.2354 1.2354 1.2708 1.2708 1.2708 1.2708 1.9584 1.9584 1.9584 1.9584 3.6501 3.6501 3.6501 3.6501 6.9639 6.9639 6.9639 6.9639 7.3628 7.3628 7.3628 7.3628 8.2844 8.2844 8.2844 8.2844 9.6496 9.6496 9.6496 9.6496 12.4649 12.4649 k = 0.4881 0.2818 0.2265 ( 5536 PWs) bands (ev): -19.5777 -19.5777 -19.5777 -19.5777 -6.3565 -6.3565 -6.3565 -6.3565 -4.5169 -4.5169 -4.5169 -4.5169 -4.2428 -4.2428 -4.2428 -4.2428 0.4397 0.4397 0.4397 0.4397 0.8939 0.8939 0.8939 0.8939 1.0745 1.0745 1.0745 1.0745 1.2356 1.2356 1.2356 1.2356 1.2710 1.2710 1.2710 1.2710 1.9670 1.9670 1.9670 1.9670 3.6321 3.6321 3.6321 3.6321 6.9601 6.9601 6.9601 6.9601 7.3686 7.3686 7.3686 7.3686 8.2814 8.2814 8.2814 8.2814 9.6403 9.6403 9.6403 9.6403 12.4780 12.4780 k = 0.5000 0.2887 0.2265 ( 5528 PWs) bands (ev): -19.5776 -19.5776 -19.5776 -19.5776 -6.3567 -6.3567 -6.3567 -6.3567 -4.5172 -4.5172 -4.5172 -4.5172 -4.2428 -4.2428 -4.2428 -4.2428 0.4402 0.4402 0.4402 0.4402 0.8940 0.8940 0.8940 0.8940 1.0747 1.0747 1.0747 1.0747 1.2356 1.2356 1.2356 1.2356 1.2711 1.2711 1.2711 1.2711 1.9699 1.9699 1.9699 1.9699 3.6261 3.6261 3.6261 3.6261 6.9589 6.9589 6.9589 6.9589 7.3706 7.3706 7.3706 7.3706 8.2804 8.2804 8.2804 8.2804 9.6371 9.6371 9.6371 9.6371 12.4824 12.4824 k = 0.5000 0.2887 0.2265 ( 5528 PWs) bands (ev): -19.5776 -19.5776 -19.5776 -19.5776 -6.3567 -6.3567 -6.3567 -6.3567 -4.5172 -4.5172 -4.5172 -4.5172 -4.2428 -4.2428 -4.2428 -4.2428 0.4402 0.4402 0.4402 0.4402 0.8940 0.8940 0.8940 0.8940 1.0747 1.0747 1.0747 1.0747 1.2356 1.2356 1.2356 1.2356 1.2711 1.2711 1.2711 1.2711 1.9699 1.9699 1.9699 1.9699 3.6261 3.6261 3.6261 3.6261 6.9589 6.9589 6.9589 6.9589 7.3706 7.3706 7.3706 7.3706 8.2804 8.2804 8.2804 8.2804 9.6371 9.6371 9.6371 9.6371 12.4824 12.4824 k = 0.4931 0.3007 0.2265 ( 5540 PWs) bands (ev): -19.5776 -19.5776 -19.5776 -19.5776 -6.3568 -6.3568 -6.3567 -6.3567 -4.5173 -4.5173 -4.5170 -4.5170 -4.2431 -4.2431 -4.2431 -4.2431 0.4358 0.4358 0.4454 0.4454 0.8932 0.8932 0.8947 0.8947 1.0662 1.0662 1.0832 1.0832 1.2354 1.2354 1.2359 1.2359 1.2697 1.2697 1.2724 1.2724 1.9657 1.9657 1.9754 1.9754 3.6251 3.6251 3.6275 3.6275 6.9482 6.9482 6.9524 6.9524 7.3678 7.3678 7.3747 7.3747 8.2805 8.2805 8.2842 8.2842 9.6469 9.6469 9.6491 9.6491 12.4608 12.4677 k = 0.4861 0.3127 0.2265 ( 5548 PWs) bands (ev): -19.5775 -19.5775 -19.5775 -19.5775 -6.3568 -6.3568 -6.3567 -6.3567 -4.5170 -4.5170 -4.5165 -4.5165 -4.2443 -4.2443 -4.2443 -4.2443 0.4321 0.4321 0.4514 0.4514 0.8924 0.8924 0.8954 0.8954 1.0575 1.0575 1.0914 1.0914 1.2350 1.2350 1.2361 1.2361 1.2682 1.2682 1.2737 1.2737 1.9628 1.9628 1.9821 1.9821 3.6246 3.6246 3.6294 3.6294 6.9213 6.9213 6.9292 6.9292 7.3665 7.3665 7.3800 7.3800 8.2843 8.2843 8.2919 8.2919 9.6782 9.6782 9.6824 9.6824 12.4119 12.4119 k = 0.4792 0.3248 0.2265 ( 5548 PWs) bands (ev): -19.5775 -19.5775 -19.5775 -19.5775 -6.3570 -6.3570 -6.3568 -6.3568 -4.5166 -4.5166 -4.5158 -4.5158 -4.2462 -4.2462 -4.2462 -4.2462 0.4291 0.4291 0.4581 0.4581 0.8916 0.8916 0.8960 0.8960 1.0488 1.0488 1.0996 1.0996 1.2347 1.2347 1.2363 1.2363 1.2667 1.2667 1.2748 1.2748 1.9613 1.9613 1.9901 1.9901 3.6244 3.6244 3.6316 3.6316 6.8799 6.8799 6.8908 6.8908 7.3667 7.3667 7.3862 7.3862 8.2912 8.2912 8.3030 8.3030 9.7297 9.7297 9.7358 9.7358 12.3485 12.3485 k = 0.4722 0.3368 0.2265 ( 5556 PWs) bands (ev): -19.5773 -19.5773 -19.5773 -19.5773 -6.3572 -6.3572 -6.3569 -6.3569 -4.5159 -4.5159 -4.5148 -4.5148 -4.2488 -4.2488 -4.2487 -4.2487 0.4269 0.4269 0.4655 0.4655 0.8907 0.8907 0.8966 0.8966 1.0400 1.0400 1.1075 1.1075 1.2343 1.2343 1.2365 1.2365 1.2651 1.2651 1.2759 1.2759 1.9611 1.9611 1.9992 1.9992 3.6246 3.6246 3.6341 3.6341 6.8264 6.8264 6.8395 6.8395 7.3681 7.3681 7.3929 7.3929 8.3006 8.3006 8.3172 8.3172 9.7999 9.7999 9.8076 9.8076 12.2792 12.2792 k = 0.4653 0.3488 0.2265 ( 5544 PWs) bands (ev): -19.5772 -19.5772 -19.5772 -19.5772 -6.3574 -6.3574 -6.3571 -6.3571 -4.5151 -4.5151 -4.5137 -4.5137 -4.2520 -4.2520 -4.2520 -4.2520 0.4253 0.4253 0.4736 0.4736 0.8899 0.8899 0.8972 0.8972 1.0313 1.0313 1.1153 1.1153 1.2339 1.2339 1.2366 1.2366 1.2636 1.2636 1.2768 1.2768 1.9622 1.9622 2.0094 2.0094 3.6249 3.6249 3.6367 3.6367 6.7633 6.7633 6.7780 6.7780 7.3705 7.3705 7.4001 7.4001 8.3120 8.3120 8.3336 8.3336 9.8866 9.8866 9.8956 9.8956 12.2087 12.2087 k = 0.4583 0.3608 0.2265 ( 5548 PWs) bands (ev): -19.5770 -19.5770 -19.5770 -19.5770 -6.3576 -6.3576 -6.3572 -6.3572 -4.5140 -4.5140 -4.5123 -4.5123 -4.2559 -4.2559 -4.2558 -4.2558 0.4245 0.4245 0.4824 0.4824 0.8890 0.8890 0.8977 0.8977 1.0225 1.0225 1.1229 1.1229 1.2335 1.2335 1.2367 1.2367 1.2620 1.2620 1.2776 1.2776 1.9648 1.9648 2.0208 2.0208 3.6252 3.6252 3.6394 3.6394 6.6931 6.6931 6.7089 6.7089 7.3737 7.3737 7.4078 7.4078 8.3247 8.3247 8.3519 8.3519 9.9874 9.9874 9.9976 9.9976 12.1400 12.1400 k = 0.4514 0.3729 0.2265 ( 5564 PWs) bands (ev): -19.5768 -19.5768 -19.5768 -19.5768 -6.3579 -6.3579 -6.3575 -6.3575 -4.5127 -4.5127 -4.5108 -4.5108 -4.2603 -4.2603 -4.2602 -4.2602 0.4241 0.4241 0.4918 0.4918 0.8881 0.8881 0.8981 0.8981 1.0137 1.0137 1.1302 1.1302 1.2330 1.2330 1.2367 1.2367 1.2604 1.2604 1.2783 1.2783 1.9687 1.9687 2.0331 2.0331 3.6254 3.6254 3.6419 3.6419 6.6180 6.6180 6.6346 6.6346 7.3776 7.3776 7.4158 7.4158 8.3386 8.3386 8.3714 8.3714 10.1000 10.1000 10.1114 10.1114 12.0749 12.0750 k = 0.4444 0.3849 0.2265 ( 5564 PWs) bands (ev): -19.5765 -19.5765 -19.5765 -19.5765 -6.3583 -6.3583 -6.3578 -6.3578 -4.5114 -4.5114 -4.5091 -4.5091 -4.2652 -4.2652 -4.2651 -4.2651 0.4244 0.4244 0.5017 0.5017 0.8872 0.8872 0.8984 0.8984 1.0051 1.0051 1.1373 1.1373 1.2325 1.2325 1.2367 1.2367 1.2589 1.2589 1.2789 1.2789 1.9739 1.9739 2.0464 2.0464 3.6252 3.6252 3.6441 3.6441 6.5402 6.5402 6.5573 6.5573 7.3820 7.3820 7.4242 7.4242 8.3531 8.3531 8.3919 8.3919 10.2221 10.2221 10.2346 10.2346 12.0150 12.0150 k = 0.4375 0.3969 0.2265 ( 5556 PWs) bands (ev): -19.5763 -19.5763 -19.5763 -19.5763 -6.3586 -6.3586 -6.3581 -6.3581 -4.5099 -4.5099 -4.5073 -4.5073 -4.2705 -4.2705 -4.2703 -4.2703 0.4252 0.4252 0.5121 0.5121 0.8864 0.8864 0.8987 0.8987 0.9966 0.9966 1.1442 1.1442 1.2320 1.2320 1.2367 1.2367 1.2575 1.2575 1.2794 1.2794 1.9804 1.9804 2.0606 2.0606 3.6245 3.6245 3.6457 3.6457 6.4613 6.4613 6.4788 6.4788 7.3868 7.3868 7.4328 7.4328 8.3681 8.3681 8.4128 8.4128 10.3515 10.3515 10.3650 10.3650 11.9613 11.9613 k = 0.4306 0.4090 0.2265 ( 5560 PWs) bands (ev): -19.5760 -19.5760 -19.5760 -19.5760 -6.3590 -6.3590 -6.3584 -6.3584 -4.5083 -4.5083 -4.5054 -4.5054 -4.2761 -4.2761 -4.2758 -4.2758 0.4263 0.4263 0.5229 0.5229 0.8855 0.8855 0.8988 0.8988 0.9883 0.9883 1.1508 1.1508 1.2314 1.2314 1.2366 1.2366 1.2561 1.2561 1.2798 1.2798 1.9882 1.9882 2.0757 2.0757 3.6230 3.6230 3.6465 3.6465 6.3828 6.3828 6.4006 6.4006 7.3919 7.3919 7.4416 7.4416 8.3832 8.3832 8.4339 8.4339 10.4857 10.4857 10.5005 10.5005 11.9148 11.9148 k = 0.4236 0.4210 0.2265 ( 5554 PWs) bands (ev): -19.5757 -19.5757 -19.5757 -19.5757 -6.3595 -6.3595 -6.3588 -6.3588 -4.5066 -4.5066 -4.5034 -4.5034 -4.2819 -4.2819 -4.2815 -4.2815 0.4279 0.4279 0.5339 0.5339 0.8846 0.8846 0.8989 0.8989 0.9801 0.9801 1.1572 1.1572 1.2308 1.2308 1.2365 1.2365 1.2548 1.2548 1.2801 1.2801 1.9972 1.9972 2.0914 2.0914 3.6205 3.6205 3.6462 3.6462 6.3061 6.3061 6.3242 6.3242 7.3973 7.3973 7.4505 7.4505 8.3982 8.3982 8.4547 8.4547 10.6226 10.6226 10.6387 10.6387 11.8762 11.8762 k = 0.4167 0.4330 0.2265 ( 5542 PWs) bands (ev): -19.5754 -19.5754 -19.5754 -19.5754 -6.3600 -6.3600 -6.3593 -6.3593 -4.5049 -4.5049 -4.5015 -4.5015 -4.2878 -4.2878 -4.2872 -4.2872 0.4298 0.4298 0.5451 0.5451 0.8838 0.8838 0.8988 0.8988 0.9723 0.9723 1.1633 1.1633 1.2302 1.2302 1.2364 1.2364 1.2537 1.2537 1.2803 1.2803 2.0072 2.0072 2.1079 2.1079 3.6169 3.6169 3.6448 3.6448 6.2323 6.2323 6.2506 6.2506 7.4029 7.4029 7.4594 7.4594 8.4127 8.4127 8.4749 8.4749 10.7596 10.7596 10.7772 10.7772 11.8460 11.8460 k = 0.4097 0.4450 0.2265 ( 5544 PWs) bands (ev): -19.5751 -19.5751 -19.5751 -19.5751 -6.3604 -6.3604 -6.3597 -6.3597 -4.5033 -4.5033 -4.4995 -4.4995 -4.2937 -4.2937 -4.2930 -4.2930 0.4318 0.4318 0.5564 0.5564 0.8830 0.8830 0.8986 0.8986 0.9648 0.9648 1.1690 1.1690 1.2295 1.2295 1.2362 1.2362 1.2525 1.2525 1.2804 1.2804 2.0182 2.0182 2.1248 2.1248 3.6118 3.6118 3.6420 3.6420 6.1624 6.1624 6.1808 6.1808 7.4085 7.4085 7.4681 7.4681 8.4265 8.4265 8.4941 8.4941 10.8940 10.8940 10.9131 10.9131 11.8244 11.8244 k = 0.4028 0.4571 0.2265 ( 5552 PWs) bands (ev): -19.5748 -19.5748 -19.5748 -19.5748 -6.3610 -6.3610 -6.3602 -6.3602 -4.5017 -4.5017 -4.4976 -4.4976 -4.2994 -4.2994 -4.2986 -4.2986 0.4340 0.4340 0.5675 0.5675 0.8822 0.8822 0.8982 0.8982 0.9577 0.9577 1.1745 1.1745 1.2287 1.2287 1.2360 1.2360 1.2515 1.2515 1.2804 1.2804 2.0300 2.0300 2.1420 2.1420 3.6054 3.6054 3.6378 3.6378 6.0971 6.0971 6.1157 6.1157 7.4140 7.4140 7.4767 7.4767 8.4393 8.4393 8.5121 8.5121 11.0227 11.0227 11.0435 11.0435 11.8108 11.8108 k = 0.3958 0.4691 0.2265 ( 5558 PWs) bands (ev): -19.5745 -19.5745 -19.5745 -19.5745 -6.3615 -6.3615 -6.3607 -6.3607 -4.5002 -4.5002 -4.4958 -4.4958 -4.3050 -4.3050 -4.3040 -4.3040 0.4363 0.4363 0.5784 0.5784 0.8815 0.8815 0.8976 0.8976 0.9511 0.9511 1.1796 1.1796 1.2280 1.2280 1.2358 1.2358 1.2506 1.2506 1.2804 1.2804 2.0423 2.0423 2.1594 2.1594 3.5974 3.5974 3.6320 3.6320 6.0372 6.0372 6.0559 6.0559 7.4193 7.4193 7.4849 7.4849 8.4508 8.4508 8.5285 8.5285 11.1429 11.1429 11.1653 11.1653 11.8037 11.8037 k = 0.3889 0.4811 0.2265 ( 5556 PWs) bands (ev): -19.5742 -19.5742 -19.5742 -19.5742 -6.3620 -6.3620 -6.3612 -6.3612 -4.4989 -4.4989 -4.4942 -4.4942 -4.3102 -4.3102 -4.3090 -4.3090 0.4387 0.4387 0.5889 0.5889 0.8808 0.8808 0.8968 0.8968 0.9451 0.9451 1.1844 1.1844 1.2271 1.2271 1.2355 1.2355 1.2498 1.2498 1.2804 1.2804 2.0551 2.0551 2.1768 2.1768 3.5881 3.5881 3.6247 3.6247 5.9831 5.9831 6.0019 6.0019 7.4245 7.4245 7.4927 7.4927 8.4608 8.4608 8.5431 8.5431 11.2522 11.2522 11.2760 11.2760 11.8008 11.8008 k = 0.3819 0.4932 0.2265 ( 5564 PWs) bands (ev): -19.5739 -19.5739 -19.5739 -19.5739 -6.3625 -6.3625 -6.3617 -6.3617 -4.4977 -4.4977 -4.4928 -4.4928 -4.3149 -4.3149 -4.3136 -4.3136 0.4409 0.4409 0.5988 0.5988 0.8802 0.8802 0.8959 0.8959 0.9398 0.9398 1.1888 1.1888 1.2262 1.2262 1.2353 1.2353 1.2491 1.2491 1.2804 1.2804 2.0679 2.0679 2.1938 2.1938 3.5775 3.5775 3.6161 3.6161 5.9353 5.9353 5.9542 5.9542 7.4292 7.4292 7.4999 7.4999 8.4692 8.4692 8.5557 8.5557 11.3498 11.3498 11.3747 11.3747 11.7994 11.7994 k = 0.3750 0.5052 0.2265 ( 5568 PWs) bands (ev): -19.5736 -19.5736 -19.5736 -19.5736 -6.3630 -6.3630 -6.3621 -6.3621 -4.4967 -4.4967 -4.4915 -4.4915 -4.3191 -4.3191 -4.3177 -4.3177 0.4431 0.4431 0.6079 0.6079 0.8796 0.8796 0.8948 0.8948 0.9352 0.9352 1.1929 1.1929 1.2253 1.2253 1.2351 1.2351 1.2484 1.2484 1.2803 1.2803 2.0806 2.0806 2.2101 2.2101 3.5660 3.5660 3.6066 3.6066 5.8941 5.8941 5.9131 5.9131 7.4336 7.4336 7.5065 7.5065 8.4760 8.4760 8.5661 8.5661 11.4362 11.4362 11.4622 11.4622 11.7973 11.7973 k = 0.3681 0.5172 0.2265 ( 5570 PWs) bands (ev): -19.5734 -19.5734 -19.5734 -19.5734 -6.3635 -6.3635 -6.3626 -6.3626 -4.4960 -4.4960 -4.4906 -4.4906 -4.3228 -4.3228 -4.3212 -4.3212 0.4450 0.4450 0.6161 0.6161 0.8792 0.8792 0.8935 0.8935 0.9315 0.9315 1.1965 1.1965 1.2244 1.2244 1.2350 1.2350 1.2479 1.2479 1.2802 1.2802 2.0925 2.0925 2.2253 2.2253 3.5541 3.5541 3.5965 3.5965 5.8596 5.8596 5.8786 5.8786 7.4375 7.4375 7.5123 7.5123 8.4811 8.4811 8.5744 8.5744 11.5130 11.5130 11.5405 11.5405 11.7937 11.7937 k = 0.3611 0.5292 0.2265 ( 5570 PWs) bands (ev): -19.5732 -19.5732 -19.5732 -19.5732 -6.3639 -6.3639 -6.3630 -6.3630 -4.4954 -4.4954 -4.4898 -4.4898 -4.3258 -4.3258 -4.3241 -4.3241 0.4468 0.4468 0.6231 0.6231 0.8788 0.8788 0.8923 0.8923 0.9285 0.9285 1.1996 1.1996 1.2235 1.2235 1.2348 1.2348 1.2475 1.2475 1.2802 1.2802 2.1035 2.1035 2.2390 2.2390 3.5424 3.5424 3.5864 3.5864 5.8318 5.8318 5.8508 5.8508 7.4407 7.4407 7.5172 7.5172 8.4847 8.4847 8.5807 8.5807 11.5815 11.5815 11.6115 11.6115 11.7891 11.7891 k = 0.3542 0.5413 0.2265 ( 5578 PWs) bands (ev): -19.5730 -19.5730 -19.5730 -19.5730 -6.3643 -6.3643 -6.3633 -6.3633 -4.4950 -4.4950 -4.4893 -4.4893 -4.3281 -4.3281 -4.3263 -4.3263 0.4482 0.4482 0.6288 0.6288 0.8785 0.8785 0.8912 0.8912 0.9262 0.9262 1.2022 1.2022 1.2226 1.2226 1.2347 1.2347 1.2471 1.2471 1.2801 1.2801 2.1128 2.1128 2.2506 2.2506 3.5317 3.5317 3.5771 3.5771 5.8106 5.8106 5.8296 5.8296 7.4434 7.4434 7.5212 7.5212 8.4870 8.4870 8.5851 8.5851 11.6411 11.6411 11.6755 11.6755 11.7845 11.7845 k = 0.3472 0.5533 0.2265 ( 5596 PWs) bands (ev): -19.5729 -19.5729 -19.5729 -19.5729 -6.3645 -6.3645 -6.3636 -6.3636 -4.4948 -4.4948 -4.4890 -4.4890 -4.3297 -4.3297 -4.3279 -4.3279 0.4492 0.4492 0.6329 0.6329 0.8782 0.8782 0.8904 0.8904 0.9246 0.9246 1.2041 1.2041 1.2219 1.2219 1.2346 1.2346 1.2469 1.2469 1.2801 1.2801 2.1201 2.1201 2.2596 2.2596 3.5228 3.5228 3.5693 3.5693 5.7958 5.7958 5.8148 5.8148 7.4453 7.4453 7.5242 7.5242 8.4882 8.4882 8.5878 8.5878 11.6883 11.6883 11.7298 11.7298 11.7808 11.7808 k = 0.3403 0.5653 0.2265 ( 5588 PWs) bands (ev): -19.5728 -19.5728 -19.5728 -19.5728 -6.3647 -6.3647 -6.3638 -6.3638 -4.4948 -4.4948 -4.4889 -4.4889 -4.3307 -4.3307 -4.3288 -4.3288 0.4499 0.4499 0.6355 0.6355 0.8781 0.8781 0.8898 0.8898 0.9237 0.9237 1.2054 1.2054 1.2214 1.2214 1.2346 1.2346 1.2467 1.2467 1.2801 1.2801 2.1249 2.1249 2.2654 2.2654 3.5168 3.5168 3.5640 3.5640 5.7872 5.7872 5.8062 5.8062 7.4465 7.4465 7.5260 7.5260 8.4887 8.4887 8.5892 8.5892 11.7172 11.7172 11.7677 11.7677 11.7794 11.7794 k = 0.3333 0.5774 0.2265 ( 5592 PWs) bands (ev): -19.5728 -19.5728 -19.5728 -19.5728 -6.3648 -6.3648 -6.3638 -6.3638 -4.4948 -4.4948 -4.4889 -4.4889 -4.3310 -4.3310 -4.3291 -4.3291 0.4501 0.4501 0.6363 0.6363 0.8781 0.8781 0.8897 0.8897 0.9234 0.9234 1.2058 1.2058 1.2213 1.2213 1.2346 1.2346 1.2467 1.2467 1.2801 1.2801 2.1266 2.1266 2.2674 2.2674 3.5146 3.5146 3.5620 3.5620 5.7844 5.7844 5.8034 5.8034 7.4469 7.4469 7.5266 7.5266 8.4887 8.4887 8.5896 8.5896 11.7264 11.7264 11.7779 11.7779 11.7830 11.7830 k = 0.3333 0.5774 0.2265 ( 5592 PWs) bands (ev): -19.5728 -19.5728 -19.5728 -19.5728 -6.3648 -6.3648 -6.3638 -6.3638 -4.4948 -4.4948 -4.4889 -4.4889 -4.3310 -4.3310 -4.3291 -4.3291 0.4501 0.4501 0.6363 0.6363 0.8781 0.8781 0.8897 0.8897 0.9234 0.9234 1.2058 1.2058 1.2213 1.2213 1.2346 1.2346 1.2467 1.2467 1.2801 1.2801 2.1266 2.1266 2.2674 2.2674 3.5146 3.5146 3.5620 3.5620 5.7844 5.7844 5.8034 5.8034 7.4469 7.4469 7.5266 7.5266 8.4887 8.4887 8.5896 8.5896 11.7264 11.7264 11.7779 11.7779 11.7830 11.7830 k = 0.3264 0.5653 0.2265 ( 5588 PWs) bands (ev): -19.5728 -19.5728 -19.5728 -19.5728 -6.3647 -6.3647 -6.3638 -6.3638 -4.4947 -4.4947 -4.4889 -4.4889 -4.3307 -4.3307 -4.3288 -4.3288 0.4499 0.4499 0.6355 0.6355 0.8781 0.8781 0.8898 0.8898 0.9237 0.9237 1.2054 1.2054 1.2214 1.2214 1.2346 1.2346 1.2467 1.2467 1.2801 1.2801 2.1248 2.1248 2.2652 2.2652 3.5171 3.5171 3.5643 3.5643 5.7871 5.7871 5.8061 5.8061 7.4465 7.4465 7.5260 7.5260 8.4888 8.4888 8.5894 8.5894 11.7161 11.7161 11.7627 11.7627 11.7842 11.7842 k = 0.3194 0.5533 0.2265 ( 5596 PWs) bands (ev): -19.5729 -19.5729 -19.5729 -19.5729 -6.3645 -6.3645 -6.3635 -6.3635 -4.4947 -4.4947 -4.4888 -4.4888 -4.3299 -4.3299 -4.3280 -4.3280 0.4491 0.4491 0.6329 0.6329 0.8782 0.8782 0.8902 0.8902 0.9246 0.9246 1.2043 1.2043 1.2217 1.2217 1.2346 1.2346 1.2469 1.2469 1.2800 1.2800 2.1191 2.1191 2.2585 2.2585 3.5251 3.5251 3.5716 3.5716 5.7948 5.7948 5.8138 5.8138 7.4452 7.4452 7.5240 7.5240 8.4892 8.4892 8.5889 8.5889 11.6813 11.6813 11.7178 11.7178 11.7912 11.7912 k = 0.3125 0.5413 0.2265 ( 5588 PWs) bands (ev): -19.5731 -19.5731 -19.5731 -19.5731 -6.3641 -6.3641 -6.3632 -6.3632 -4.4944 -4.4944 -4.4887 -4.4887 -4.3286 -4.3286 -4.3267 -4.3267 0.4478 0.4478 0.6287 0.6287 0.8784 0.8784 0.8906 0.8906 0.9262 0.9262 1.2026 1.2026 1.2222 1.2222 1.2346 1.2346 1.2472 1.2472 1.2800 1.2800 2.1094 2.1094 2.2470 2.2470 3.5394 3.5394 3.5845 3.5845 5.8071 5.8071 5.8262 5.8262 7.4431 7.4431 7.5207 7.5207 8.4904 8.4904 8.5885 8.5885 11.6251 11.6251 11.6543 11.6543 11.8000 11.8000 k = 0.3056 0.5292 0.2265 ( 5584 PWs) bands (ev): -19.5733 -19.5733 -19.5733 -19.5733 -6.3635 -6.3635 -6.3626 -6.3626 -4.4940 -4.4940 -4.4884 -4.4884 -4.3268 -4.3268 -4.3251 -4.3251 0.4460 0.4460 0.6229 0.6229 0.8787 0.8787 0.8910 0.8910 0.9283 0.9283 1.2005 1.2005 1.2225 1.2225 1.2346 1.2346 1.2475 1.2475 1.2799 1.2799 2.0955 2.0955 2.2307 2.2307 3.5603 3.5603 3.6037 3.6037 5.8237 5.8237 5.8429 5.8429 7.4401 7.4401 7.5160 7.5160 8.4928 8.4928 8.5887 8.5887 11.5556 11.5556 11.5798 11.5798 11.8128 11.8128 k = 0.2986 0.5172 0.2265 ( 5584 PWs) bands (ev): -19.5736 -19.5736 -19.5736 -19.5736 -6.3627 -6.3627 -6.3618 -6.3618 -4.4933 -4.4933 -4.4878 -4.4878 -4.3248 -4.3248 -4.3231 -4.3231 0.4435 0.4435 0.6157 0.6157 0.8790 0.8790 0.8913 0.8913 0.9310 0.9310 1.1979 1.1979 1.2228 1.2228 1.2346 1.2346 1.2480 1.2480 1.2796 1.2796 2.0777 2.0777 2.2100 2.2100 3.5879 3.5879 3.6293 3.6293 5.8442 5.8442 5.8634 5.8634 7.4361 7.4361 7.5100 7.5100 8.4966 8.4966 8.5897 8.5897 11.4788 11.4788 11.4994 11.4994 11.8302 11.8302 k = 0.2917 0.5052 0.2265 ( 5576 PWs) bands (ev): -19.5739 -19.5739 -19.5739 -19.5739 -6.3617 -6.3617 -6.3608 -6.3608 -4.4923 -4.4923 -4.4869 -4.4869 -4.3224 -4.3224 -4.3208 -4.3208 0.4404 0.4404 0.6071 0.6071 0.8794 0.8794 0.8914 0.8914 0.9341 0.9341 1.1949 1.1949 1.2230 1.2230 1.2345 1.2345 1.2486 1.2486 1.2793 1.2793 2.0561 2.0561 2.1851 2.1851 3.6225 3.6225 3.6616 3.6616 5.8681 5.8681 5.8874 5.8874 7.4313 7.4313 7.5025 7.5025 8.5022 8.5022 8.5921 8.5921 11.3980 11.3980 11.4159 11.4159 11.8518 11.8518 k = 0.2847 0.4932 0.2265 ( 5572 PWs) bands (ev): -19.5744 -19.5744 -19.5744 -19.5744 -6.3605 -6.3605 -6.3596 -6.3596 -4.4909 -4.4909 -4.4856 -4.4856 -4.3198 -4.3198 -4.3182 -4.3182 0.4367 0.4367 0.5973 0.5973 0.8798 0.8798 0.8914 0.8914 0.9376 0.9376 1.1916 1.1916 1.2230 1.2230 1.2344 1.2344 1.2492 1.2492 1.2789 1.2789 2.0312 2.0312 2.1566 2.1566 3.6637 3.6637 3.7005 3.7005 5.8951 5.8951 5.9145 5.9145 7.4256 7.4256 7.4938 7.4938 8.5099 8.5099 8.5960 8.5960 11.3153 11.3153 11.3310 11.3310 11.8771 11.8771 k = 0.2778 0.4811 0.2265 ( 5564 PWs) bands (ev): -19.5749 -19.5749 -19.5749 -19.5749 -6.3590 -6.3590 -6.3581 -6.3581 -4.4891 -4.4891 -4.4839 -4.4839 -4.3170 -4.3170 -4.3155 -4.3155 0.4323 0.4323 0.5863 0.5863 0.8803 0.8803 0.8911 0.8911 0.9412 0.9412 1.1879 1.1879 1.2228 1.2228 1.2343 1.2343 1.2498 1.2498 1.2783 1.2783 2.0034 2.0034 2.1251 2.1251 3.7114 3.7114 3.7458 3.7458 5.9249 5.9249 5.9443 5.9443 7.4190 7.4190 7.4838 7.4838 8.5200 8.5200 8.6018 8.6018 11.2320 11.2320 11.2459 11.2459 11.9059 11.9059 k = 0.2708 0.4691 0.2265 ( 5564 PWs) bands (ev): -19.5754 -19.5754 -19.5754 -19.5754 -6.3572 -6.3572 -6.3564 -6.3564 -4.4868 -4.4868 -4.4818 -4.4818 -4.3141 -4.3141 -4.3126 -4.3126 0.4272 0.4272 0.5741 0.5741 0.8807 0.8807 0.8907 0.8907 0.9450 0.9450 1.1838 1.1838 1.2225 1.2225 1.2341 1.2341 1.2505 1.2505 1.2775 1.2775 1.9733 1.9733 2.0911 2.0911 3.7652 3.7652 3.7974 3.7974 5.9571 5.9571 5.9766 5.9766 7.4116 7.4116 7.4726 7.4726 8.5325 8.5325 8.6097 8.6097 11.1488 11.1488 11.1612 11.1612 11.9379 11.9379 k = 0.2639 0.4571 0.2265 ( 5564 PWs) bands (ev): -19.5761 -19.5761 -19.5761 -19.5761 -6.3552 -6.3552 -6.3544 -6.3544 -4.4841 -4.4841 -4.4793 -4.4793 -4.3110 -4.3110 -4.3096 -4.3096 0.4213 0.4213 0.5610 0.5610 0.8811 0.8811 0.8902 0.8902 0.9487 0.9487 1.1792 1.1792 1.2221 1.2221 1.2339 1.2339 1.2512 1.2512 1.2766 1.2766 1.9415 1.9415 2.0552 2.0552 3.8249 3.8249 3.8549 3.8549 5.9914 5.9914 6.0110 6.0110 7.4033 7.4033 7.4603 7.4603 8.5479 8.5479 8.6201 8.6201 11.0662 11.0662 11.0774 11.0774 11.9725 11.9725 k = 0.2569 0.4450 0.2265 ( 5564 PWs) bands (ev): -19.5768 -19.5768 -19.5768 -19.5768 -6.3529 -6.3529 -6.3521 -6.3521 -4.4809 -4.4809 -4.4763 -4.4763 -4.3078 -4.3078 -4.3064 -4.3064 0.4147 0.4147 0.5468 0.5468 0.8816 0.8816 0.8896 0.8896 0.9523 0.9523 1.1743 1.1743 1.2216 1.2216 1.2337 1.2337 1.2518 1.2518 1.2756 1.2756 1.9085 1.9085 2.0181 2.0181 3.8900 3.8900 3.9181 3.9181 6.0275 6.0275 6.0471 6.0471 7.3944 7.3944 7.4470 7.4470 8.5661 8.5661 8.6333 8.6333 10.9848 10.9848 10.9948 10.9948 12.0089 12.0089 k = 0.2500 0.4330 0.2265 ( 5560 PWs) bands (ev): -19.5776 -19.5776 -19.5776 -19.5776 -6.3504 -6.3504 -6.3496 -6.3496 -4.4773 -4.4773 -4.4728 -4.4728 -4.3046 -4.3046 -4.3032 -4.3032 0.4074 0.4074 0.5316 0.5316 0.8820 0.8820 0.8888 0.8888 0.9558 0.9558 1.1688 1.1688 1.2210 1.2210 1.2335 1.2335 1.2525 1.2525 1.2744 1.2744 1.8748 1.8748 1.9802 1.9802 3.9603 3.9603 3.9867 3.9867 6.0650 6.0650 6.0847 6.0847 7.3848 7.3848 7.4330 7.4330 8.5874 8.5874 8.6492 8.6492 10.9048 10.9048 10.9138 10.9138 12.0448 12.0448 k = 0.2431 0.4210 0.2265 ( 5562 PWs) bands (ev): -19.5785 -19.5785 -19.5785 -19.5785 -6.3475 -6.3475 -6.3468 -6.3468 -4.4732 -4.4732 -4.4688 -4.4688 -4.3012 -4.3012 -4.2999 -4.2999 0.3992 0.3992 0.5156 0.5156 0.8823 0.8823 0.8880 0.8880 0.9591 0.9591 1.1628 1.1628 1.2203 1.2203 1.2332 1.2332 1.2530 1.2530 1.2731 1.2731 1.8409 1.8409 1.9421 1.9421 4.0355 4.0355 4.0603 4.0603 6.1037 6.1037 6.1234 6.1234 7.3747 7.3747 7.4184 7.4184 8.6118 8.6118 8.6683 8.6683 10.8264 10.8264 10.8345 10.8345 12.0721 12.0721 k = 0.2361 0.4090 0.2265 ( 5558 PWs) bands (ev): -19.5795 -19.5795 -19.5794 -19.5794 -6.3445 -6.3445 -6.3438 -6.3438 -4.4686 -4.4686 -4.4644 -4.4644 -4.2978 -4.2978 -4.2965 -4.2965 0.3902 0.3902 0.4987 0.4987 0.8826 0.8826 0.8871 0.8871 0.9622 0.9622 1.1563 1.1563 1.2195 1.2195 1.2328 1.2328 1.2536 1.2536 1.2716 1.2716 1.8073 1.8073 1.9040 1.9040 4.1153 4.1153 4.1388 4.1388 6.1432 6.1432 6.1627 6.1627 7.3644 7.3644 7.4034 7.4034 8.6394 8.6394 8.6907 8.6907 10.7499 10.7499 10.7571 10.7571 12.0602 12.0602 k = 0.2292 0.3969 0.2265 ( 5562 PWs) bands (ev): -19.5805 -19.5805 -19.5805 -19.5805 -6.3411 -6.3411 -6.3405 -6.3405 -4.4636 -4.4636 -4.4596 -4.4596 -4.2943 -4.2943 -4.2931 -4.2931 0.3803 0.3803 0.4809 0.4809 0.8829 0.8829 0.8862 0.8862 0.9651 0.9651 1.1492 1.1492 1.2186 1.2186 1.2324 1.2324 1.2540 1.2540 1.2701 1.2701 1.7743 1.7743 1.8665 1.8665 4.1994 4.1994 4.2218 4.2218 6.1831 6.1831 6.2025 6.2025 7.3540 7.3540 7.3884 7.3884 8.6704 8.6704 8.7164 8.7164 10.6752 10.6752 10.6818 10.6818 12.0009 12.0009 k = 0.2222 0.3849 0.2265 ( 5542 PWs) bands (ev): -19.5815 -19.5815 -19.5815 -19.5815 -6.3375 -6.3375 -6.3369 -6.3369 -4.4582 -4.4582 -4.4543 -4.4543 -4.2908 -4.2908 -4.2895 -4.2895 0.3696 0.3696 0.4623 0.4623 0.8830 0.8830 0.8852 0.8852 0.9677 0.9677 1.1417 1.1417 1.2176 1.2176 1.2320 1.2320 1.2544 1.2544 1.2686 1.2686 1.7424 1.7424 1.8297 1.8297 4.2877 4.2877 4.3091 4.3091 6.2229 6.2229 6.2420 6.2420 7.3438 7.3438 7.3737 7.3737 8.7047 8.7047 8.7456 8.7456 10.6027 10.6027 10.6086 10.6086 11.9276 11.9276 k = 0.2153 0.3729 0.2265 ( 5550 PWs) bands (ev): -19.5827 -19.5827 -19.5827 -19.5827 -6.3337 -6.3337 -6.3331 -6.3331 -4.4524 -4.4524 -4.4487 -4.4487 -4.2870 -4.2870 -4.2858 -4.2858 0.3579 0.3579 0.4429 0.4429 0.8831 0.8831 0.8842 0.8842 0.9701 0.9701 1.1335 1.1335 1.2166 1.2166 1.2314 1.2314 1.2546 1.2546 1.2669 1.2669 1.7117 1.7117 1.7939 1.7939 4.3799 4.3799 4.4005 4.4005 6.2623 6.2623 6.2810 6.2810 7.3344 7.3344 7.3597 7.3597 8.7424 8.7424 8.7784 8.7784 10.5324 10.5324 10.5377 10.5377 11.8515 11.8515 k = 0.2083 0.3608 0.2265 ( 5558 PWs) bands (ev): -19.5839 -19.5839 -19.5839 -19.5839 -6.3297 -6.3297 -6.3292 -6.3292 -4.4463 -4.4463 -4.4428 -4.4428 -4.2832 -4.2832 -4.2820 -4.2820 0.3453 0.3453 0.4227 0.4227 0.8830 0.8830 0.8831 0.8831 0.9722 0.9722 1.1249 1.1249 1.2155 1.2155 1.2307 1.2307 1.2548 1.2548 1.2653 1.2653 1.6825 1.6825 1.7594 1.7594 4.4759 4.4759 4.4958 4.4958 6.3005 6.3005 6.3188 6.3188 7.3262 7.3262 7.3471 7.3471 8.7835 8.7835 8.8148 8.8148 10.4644 10.4644 10.4692 10.4692 11.7753 11.7753 k = 0.2014 0.3488 0.2265 ( 5550 PWs) bands (ev): -19.5851 -19.5851 -19.5851 -19.5851 -6.3255 -6.3255 -6.3250 -6.3250 -4.4400 -4.4400 -4.4366 -4.4366 -4.2792 -4.2792 -4.2780 -4.2780 0.3318 0.3318 0.4019 0.4019 0.8820 0.8820 0.8829 0.8829 0.9741 0.9741 1.1159 1.1159 1.2143 1.2143 1.2300 1.2300 1.2550 1.2550 1.2638 1.2638 1.6549 1.6549 1.7264 1.7264 4.5755 4.5755 4.5948 4.5948 6.3371 6.3371 6.3547 6.3547 7.3198 7.3198 7.3364 7.3364 8.8280 8.8280 8.8549 8.8549 10.3988 10.3988 10.4031 10.4031 11.7000 11.7000 k = 0.1944 0.3368 0.2265 ( 5556 PWs) bands (ev): -19.5864 -19.5864 -19.5864 -19.5864 -6.3211 -6.3211 -6.3206 -6.3206 -4.4335 -4.4335 -4.4303 -4.4303 -4.2749 -4.2749 -4.2738 -4.2738 0.3174 0.3174 0.3804 0.3804 0.8808 0.8808 0.8826 0.8826 0.9757 0.9757 1.1066 1.1066 1.2131 1.2131 1.2290 1.2290 1.2550 1.2550 1.2622 1.2622 1.6291 1.6291 1.6948 1.6948 4.6785 4.6785 4.6974 4.6974 6.3712 6.3712 6.3880 6.3880 7.3161 7.3161 7.3284 7.3284 8.8759 8.8759 8.8986 8.8986 10.3358 10.3358 10.3396 10.3396 11.6261 11.6261 k = 0.1875 0.3248 0.2265 ( 5556 PWs) bands (ev): -19.5878 -19.5878 -19.5878 -19.5878 -6.3166 -6.3166 -6.3162 -6.3162 -4.4268 -4.4268 -4.4238 -4.4238 -4.2703 -4.2703 -4.2692 -4.2692 0.3021 0.3021 0.3583 0.3583 0.8797 0.8797 0.8822 0.8822 0.9772 0.9772 1.0970 1.0970 1.2118 1.2118 1.2279 1.2279 1.2551 1.2551 1.2608 1.2608 1.6050 1.6050 1.6650 1.6650 4.7847 4.7847 4.8033 4.8033 6.4020 6.4020 6.4180 6.4180 7.3156 7.3156 7.3239 7.3239 8.9272 8.9272 8.9460 8.9460 10.2753 10.2753 10.2788 10.2788 11.5539 11.5539 k = 0.1806 0.3127 0.2265 ( 5552 PWs) bands (ev): -19.5892 -19.5892 -19.5892 -19.5892 -6.3120 -6.3120 -6.3115 -6.3115 -4.4201 -4.4201 -4.4173 -4.4173 -4.2655 -4.2655 -4.2644 -4.2644 0.2859 0.2859 0.3358 0.3358 0.8785 0.8785 0.8816 0.8816 0.9784 0.9784 1.0873 1.0873 1.2105 1.2105 1.2266 1.2266 1.2551 1.2551 1.2595 1.2595 1.5828 1.5828 1.6368 1.6368 4.8941 4.8941 4.9125 4.9125 6.4288 6.4288 6.4438 6.4438 7.3194 7.3194 7.3238 7.3238 8.9818 8.9818 8.9970 8.9970 10.2176 10.2176 10.2208 10.2208 11.4835 11.4835 k = 0.1736 0.3007 0.2265 ( 5552 PWs) bands (ev): -19.5906 -19.5906 -19.5906 -19.5906 -6.3072 -6.3072 -6.3069 -6.3069 -4.4134 -4.4134 -4.4108 -4.4108 -4.2602 -4.2602 -4.2592 -4.2592 0.2689 0.2689 0.3128 0.3128 0.8772 0.8772 0.8809 0.8809 0.9795 0.9795 1.0776 1.0776 1.2091 1.2091 1.2251 1.2251 1.2550 1.2550 1.2583 1.2583 1.5622 1.5622 1.6105 1.6105 5.0065 5.0065 5.0247 5.0247 6.4508 6.4508 6.4647 6.4647 7.3282 7.3282 7.3289 7.3289 9.0395 9.0395 9.0515 9.0515 10.1627 10.1627 10.1658 10.1658 11.4151 11.4151 k = 0.1667 0.2887 0.2265 ( 5550 PWs) bands (ev): -19.5920 -19.5920 -19.5920 -19.5920 -6.3024 -6.3024 -6.3021 -6.3021 -4.4069 -4.4069 -4.4045 -4.4045 -4.2545 -4.2545 -4.2535 -4.2535 0.2511 0.2511 0.2895 0.2895 0.8760 0.8760 0.8801 0.8801 0.9804 0.9804 1.0681 1.0681 1.2077 1.2077 1.2235 1.2235 1.2550 1.2550 1.2572 1.2572 1.5433 1.5433 1.5859 1.5859 5.1216 5.1216 5.1398 5.1398 6.4673 6.4673 6.4803 6.4803 7.3399 7.3399 7.3426 7.3426 9.1005 9.1005 9.1093 9.1093 10.1109 10.1109 10.1138 10.1138 11.3487 11.3487 k = 0.1597 0.2766 0.2265 ( 5538 PWs) bands (ev): -19.5935 -19.5935 -19.5935 -19.5935 -6.2976 -6.2976 -6.2973 -6.2973 -4.4006 -4.4006 -4.3984 -4.3984 -4.2483 -4.2483 -4.2474 -4.2474 0.2327 0.2327 0.2660 0.2660 0.8747 0.8747 0.8791 0.8791 0.9811 0.9811 1.0588 1.0588 1.2062 1.2062 1.2216 1.2216 1.2550 1.2550 1.2563 1.2563 1.5260 1.5260 1.5630 1.5630 5.2394 5.2394 5.2575 5.2575 6.4781 6.4781 6.4902 6.4902 7.3572 7.3572 7.3630 7.3630 9.1643 9.1643 9.1703 9.1703 10.0621 10.0621 10.0650 10.0650 11.2844 11.2844 k = 0.1528 0.2646 0.2265 ( 5530 PWs) bands (ev): -19.5949 -19.5949 -19.5949 -19.5949 -6.2928 -6.2928 -6.2925 -6.2925 -4.3946 -4.3946 -4.3926 -4.3926 -4.2415 -4.2415 -4.2407 -4.2407 0.2137 0.2137 0.2424 0.2424 0.8734 0.8734 0.8780 0.8780 0.9817 0.9817 1.0499 1.0499 1.2047 1.2047 1.2195 1.2195 1.2550 1.2550 1.2556 1.2556 1.5101 1.5101 1.5420 1.5420 5.3595 5.3595 5.3777 5.3777 6.4832 6.4832 6.4946 6.4946 7.3810 7.3810 7.3893 7.3893 9.2310 9.2310 9.2342 9.2342 10.0166 10.0166 10.0197 10.0197 11.2222 11.2222 k = 0.1458 0.2526 0.2265 ( 5542 PWs) bands (ev): -19.5964 -19.5964 -19.5964 -19.5964 -6.2880 -6.2880 -6.2877 -6.2877 -4.3890 -4.3890 -4.3872 -4.3872 -4.2342 -4.2342 -4.2335 -4.2335 0.1942 0.1942 0.2187 0.2187 0.8721 0.8721 0.8767 0.8767 0.9821 0.9821 1.0415 1.0415 1.2031 1.2031 1.2171 1.2171 1.2549 1.2549 1.2550 1.2550 1.4956 1.4956 1.5225 1.5225 5.4815 5.4815 5.5001 5.5001 6.4831 6.4831 6.4941 6.4941 7.4109 7.4109 7.4215 7.4215 9.3001 9.3001 9.3007 9.3007 9.9746 9.9746 9.9782 9.9782 11.1620 11.1620 k = 0.1389 0.2406 0.2265 ( 5534 PWs) bands (ev): -19.5979 -19.5979 -19.5979 -19.5979 -6.2832 -6.2832 -6.2830 -6.2830 -4.3838 -4.3838 -4.3822 -4.3822 -4.2264 -4.2264 -4.2258 -4.2258 0.1744 0.1744 0.1952 0.1952 0.8708 0.8708 0.8753 0.8753 0.9825 0.9825 1.0336 1.0336 1.2015 1.2015 1.2147 1.2147 1.2545 1.2545 1.2551 1.2551 1.4823 1.4823 1.5048 1.5048 5.6051 5.6051 5.6241 5.6241 6.4786 6.4786 6.4896 6.4896 7.4465 7.4465 7.4589 7.4589 9.3693 9.3693 9.3714 9.3714 9.9363 9.9363 9.9406 9.9406 11.1038 11.1038 k = 0.1319 0.2285 0.2265 ( 5536 PWs) bands (ev): -19.5993 -19.5993 -19.5993 -19.5993 -6.2786 -6.2786 -6.2783 -6.2783 -4.3790 -4.3790 -4.3776 -4.3776 -4.2180 -4.2180 -4.2175 -4.2175 0.1543 0.1543 0.1718 0.1718 0.8694 0.8694 0.8738 0.8738 0.9827 0.9827 1.0263 1.0263 1.1998 1.1998 1.2120 1.2120 1.2542 1.2542 1.2552 1.2552 1.4700 1.4700 1.4886 1.4886 5.7293 5.7293 5.7489 5.7489 6.4711 6.4711 6.4825 6.4825 7.4870 7.4870 7.5007 7.5007 9.4394 9.4394 9.4444 9.4444 9.9022 9.9022 9.9077 9.9077 11.0476 11.0476 k = 0.1250 0.2165 0.2265 ( 5544 PWs) bands (ev): -19.6008 -19.6008 -19.6007 -19.6007 -6.2740 -6.2740 -6.2738 -6.2738 -4.3747 -4.3747 -4.3735 -4.3735 -4.2092 -4.2092 -4.2087 -4.2087 0.1342 0.1342 0.1488 0.1488 0.8681 0.8681 0.8722 0.8722 0.9828 0.9828 1.0196 1.0196 1.1981 1.1981 1.2093 1.2093 1.2540 1.2540 1.2553 1.2553 1.4588 1.4588 1.4738 1.4738 5.8528 5.8528 5.8733 5.8733 6.4628 6.4628 6.4749 6.4749 7.5316 7.5316 7.5464 7.5464 9.5098 9.5098 9.5182 9.5182 9.8726 9.8726 9.8803 9.8803 10.9932 10.9932 k = 0.1181 0.2045 0.2265 ( 5532 PWs) bands (ev): -19.6022 -19.6022 -19.6022 -19.6022 -6.2695 -6.2695 -6.2694 -6.2694 -4.3709 -4.3709 -4.3699 -4.3699 -4.1999 -4.1999 -4.1995 -4.1995 0.1142 0.1142 0.1262 0.1262 0.8668 0.8668 0.8706 0.8706 0.9828 0.9828 1.0136 1.0136 1.1964 1.1964 1.2065 1.2065 1.2540 1.2540 1.2555 1.2555 1.4485 1.4485 1.4604 1.4604 5.9724 5.9724 5.9941 5.9941 6.4572 6.4572 6.4704 6.4704 7.5793 7.5793 7.5948 7.5948 9.5785 9.5785 9.5916 9.5916 9.8488 9.8488 9.8600 9.8600 10.9405 10.9405 k = 0.1111 0.1925 0.2265 ( 5536 PWs) bands (ev): -19.6035 -19.6035 -19.6035 -19.6035 -6.2653 -6.2653 -6.2651 -6.2651 -4.3675 -4.3675 -4.3667 -4.3667 -4.1903 -4.1903 -4.1900 -4.1900 0.0944 0.0944 0.1041 0.1041 0.8655 0.8655 0.8689 0.8689 0.9828 0.9828 1.0081 1.0081 1.1947 1.1947 1.2036 1.2036 1.2541 1.2541 1.2557 1.2557 1.4391 1.4391 1.4484 1.4484 6.0817 6.0817 6.1045 6.1045 6.4620 6.4620 6.4763 6.4763 7.6294 7.6294 7.6453 7.6453 9.6412 9.6412 9.6610 9.6610 9.8336 9.8336 9.8507 9.8507 10.8893 10.8893 k = 0.1042 0.1804 0.2265 ( 5524 PWs) bands (ev): -19.6049 -19.6049 -19.6049 -19.6049 -6.2611 -6.2611 -6.2610 -6.2610 -4.3646 -4.3646 -4.3639 -4.3639 -4.1806 -4.1806 -4.1803 -4.1803 0.0749 0.0749 0.0828 0.0828 0.8642 0.8642 0.8672 0.8672 0.9827 0.9827 1.0033 1.0033 1.1930 1.1930 1.2008 1.2008 1.2543 1.2543 1.2559 1.2559 1.4304 1.4304 1.4375 1.4375 6.1678 6.1678 6.1893 6.1893 6.4927 6.4927 6.5058 6.5058 7.6810 7.6810 7.6970 7.6970 9.6896 9.6896 9.7169 9.7169 9.8357 9.8357 9.8599 9.8599 10.8394 10.8394 k = 0.0972 0.1684 0.2265 ( 5528 PWs) bands (ev): -19.6061 -19.6061 -19.6061 -19.6061 -6.2572 -6.2572 -6.2571 -6.2571 -4.3620 -4.3620 -4.3614 -4.3614 -4.1707 -4.1707 -4.1705 -4.1705 0.0559 0.0559 0.0622 0.0622 0.8629 0.8629 0.8655 0.8655 0.9825 0.9825 0.9991 0.9991 1.1913 1.1913 1.1979 1.1979 1.2546 1.2546 1.2562 1.2562 1.4224 1.4224 1.4277 1.4277 6.2168 6.2168 6.2331 6.2331 6.5653 6.5653 6.5734 6.5734 7.7331 7.7331 7.7491 7.7491 9.7161 9.7161 9.7433 9.7433 9.8701 9.8701 9.8938 9.8938 10.7905 10.7905 k = 0.0903 0.1564 0.2265 ( 5520 PWs) bands (ev): -19.6074 -19.6074 -19.6074 -19.6074 -6.2535 -6.2535 -6.2534 -6.2534 -4.3598 -4.3598 -4.3594 -4.3594 -4.1608 -4.1608 -4.1606 -4.1606 0.0376 0.0376 0.0425 0.0425 0.8617 0.8617 0.8639 0.8639 0.9823 0.9823 0.9954 0.9954 1.1897 1.1897 1.1952 1.1952 1.2550 1.2550 1.2565 1.2565 1.4151 1.4151 1.4190 1.4190 6.2322 6.2322 6.2428 6.2428 6.6732 6.6732 6.6758 6.6758 7.7851 7.7851 7.8008 7.8008 9.7268 9.7268 9.7486 9.7486 9.9263 9.9263 9.9447 9.9447 10.7428 10.7428 k = 0.0833 0.1443 0.2265 ( 5526 PWs) bands (ev): -19.6085 -19.6085 -19.6085 -19.6085 -6.2500 -6.2500 -6.2500 -6.2500 -4.3580 -4.3580 -4.3576 -4.3576 -4.1510 -4.1510 -4.1509 -4.1509 0.0200 0.0200 0.0238 0.0238 0.8605 0.8605 0.8623 0.8623 0.9820 0.9820 0.9922 0.9922 1.1881 1.1881 1.1926 1.1926 1.2554 1.2554 1.2568 1.2568 1.4084 1.4084 1.4111 1.4111 6.2289 6.2289 6.2356 6.2356 6.7984 6.7984 6.7995 6.7995 7.8362 7.8362 7.8514 7.8514 9.7321 9.7321 9.7498 9.7498 9.9843 9.9843 9.9989 9.9989 10.6968 10.6972 k = 0.0764 0.1323 0.2265 ( 5526 PWs) bands (ev): -19.6096 -19.6096 -19.6096 -19.6096 -6.2468 -6.2468 -6.2467 -6.2467 -4.3564 -4.3564 -4.3561 -4.3561 -4.1415 -4.1415 -4.1414 -4.1414 0.0033 0.0033 0.0062 0.0062 0.8593 0.8593 0.8608 0.8608 0.9817 0.9817 0.9894 0.9894 1.1865 1.1865 1.1901 1.1901 1.2559 1.2559 1.2571 1.2571 1.4023 1.4023 1.4042 1.4042 6.2168 6.2168 6.2212 6.2212 6.9313 6.9313 6.9345 6.9345 7.8856 7.8856 7.9002 7.9002 9.7377 9.7377 9.7527 9.7527 10.0336 10.0336 10.0459 10.0459 10.6545 10.6551 k = 0.0694 0.1203 0.2265 ( 5526 PWs) bands (ev): -19.6107 -19.6107 -19.6107 -19.6107 -6.2438 -6.2438 -6.2438 -6.2438 -4.3550 -4.3550 -4.3548 -4.3548 -4.1323 -4.1323 -4.1323 -4.1323 -0.0123 -0.0123 -0.0102 -0.0102 0.8583 0.8583 0.8594 0.8594 0.9813 0.9813 0.9871 0.9871 1.1850 1.1850 1.1878 1.1878 1.2565 1.2565 1.2574 1.2574 1.3967 1.3967 1.3980 1.3980 6.2010 6.2010 6.2039 6.2039 7.0695 7.0695 7.0740 7.0740 7.9326 7.9326 7.9464 7.9464 9.7453 9.7453 9.7585 9.7585 10.0658 10.0658 10.0768 10.0768 10.6187 10.6187 k = 0.0625 0.1083 0.2265 ( 5526 PWs) bands (ev): -19.6116 -19.6116 -19.6116 -19.6116 -6.2411 -6.2411 -6.2410 -6.2410 -4.3539 -4.3539 -4.3538 -4.3538 -4.1237 -4.1237 -4.1236 -4.1236 -0.0268 -0.0268 -0.0253 -0.0253 0.8572 0.8572 0.8581 0.8581 0.9809 0.9809 0.9851 0.9851 1.1836 1.1836 1.1856 1.1856 1.2570 1.2570 1.2578 1.2578 1.3918 1.3918 1.3926 1.3926 6.1839 6.1839 6.1857 6.1857 7.2104 7.2104 7.2156 7.2156 7.9767 7.9767 7.9896 7.9896 9.7547 9.7547 9.7668 9.7668 10.0732 10.0732 10.0831 10.0831 10.5948 10.5948 k = 0.0556 0.0962 0.2265 ( 5518 PWs) bands (ev): -19.6125 -19.6125 -19.6125 -19.6125 -6.2386 -6.2386 -6.2386 -6.2386 -4.3530 -4.3530 -4.3529 -4.3529 -4.1156 -4.1156 -4.1156 -4.1156 -0.0401 -0.0401 -0.0391 -0.0391 0.8563 0.8563 0.8569 0.8569 0.9806 0.9806 0.9834 0.9834 1.1822 1.1822 1.1837 1.1837 1.2576 1.2576 1.2581 1.2581 1.3873 1.3873 1.3878 1.3878 6.1667 6.1667 6.1679 6.1679 7.3521 7.3521 7.3577 7.3577 8.0174 8.0174 8.0291 8.0291 9.7638 9.7638 9.7750 9.7750 10.0529 10.0529 10.0617 10.0617 10.5872 10.5873 k = 0.0486 0.0842 0.2265 ( 5526 PWs) bands (ev): -19.6132 -19.6132 -19.6132 -19.6132 -6.2364 -6.2364 -6.2364 -6.2364 -4.3522 -4.3522 -4.3522 -4.3522 -4.1082 -4.1082 -4.1082 -4.1082 -0.0521 -0.0521 -0.0514 -0.0514 0.8555 0.8555 0.8559 0.8559 0.9802 0.9802 0.9821 0.9821 1.1810 1.1810 1.1820 1.1820 1.2580 1.2580 1.2585 1.2585 1.3834 1.3834 1.3837 1.3837 6.1504 6.1504 6.1511 6.1511 7.4931 7.4931 7.4988 7.4988 8.0540 8.0540 8.0646 8.0646 9.7662 9.7662 9.7765 9.7765 10.0135 10.0135 10.0211 10.0211 10.5923 10.5931 k = 0.0417 0.0722 0.2265 ( 5526 PWs) bands (ev): -19.6139 -19.6139 -19.6139 -19.6139 -6.2345 -6.2345 -6.2345 -6.2345 -4.3516 -4.3516 -4.3516 -4.3516 -4.1016 -4.1016 -4.1016 -4.1016 -0.0627 -0.0627 -0.0623 -0.0623 0.8547 0.8547 0.8550 0.8550 0.9798 0.9798 0.9810 0.9810 1.1799 1.1799 1.1806 1.1806 1.2585 1.2585 1.2588 1.2588 1.3800 1.3800 1.3802 1.3802 6.1354 6.1354 6.1358 6.1358 7.6317 7.6317 7.6373 7.6373 8.0864 8.0864 8.0956 8.0956 9.7486 9.7486 9.7570 9.7570 9.9768 9.9768 9.9827 9.9827 10.6026 10.6027 k = 0.0347 0.0601 0.2265 ( 5530 PWs) bands (ev): -19.6145 -19.6145 -19.6145 -19.6145 -6.2329 -6.2329 -6.2329 -6.2329 -4.3511 -4.3511 -4.3511 -4.3511 -4.0959 -4.0959 -4.0959 -4.0959 -0.0718 -0.0718 -0.0715 -0.0715 0.8540 0.8540 0.8542 0.8542 0.9794 0.9794 0.9801 0.9801 1.1789 1.1789 1.1793 1.1793 1.2589 1.2589 1.2591 1.2591 1.3772 1.3772 1.3772 1.3772 6.1222 6.1222 6.1224 6.1224 7.7654 7.7654 7.7706 7.7706 8.1141 8.1141 8.1219 8.1219 9.6975 9.6975 9.7028 9.7028 9.9647 9.9647 9.9678 9.9678 10.6113 10.6113 k = 0.0278 0.0481 0.2265 ( 5522 PWs) bands (ev): -19.6150 -19.6150 -19.6150 -19.6150 -6.2316 -6.2316 -6.2316 -6.2316 -4.3508 -4.3508 -4.3508 -4.3508 -4.0911 -4.0911 -4.0911 -4.0911 -0.0793 -0.0793 -0.0792 -0.0792 0.8535 0.8535 0.8536 0.8536 0.9791 0.9791 0.9795 0.9795 1.1781 1.1781 1.1783 1.1783 1.2593 1.2593 1.2594 1.2594 1.3748 1.3748 1.3749 1.3749 6.1110 6.1110 6.1111 6.1111 7.8909 7.8909 7.8956 7.8956 8.1372 8.1372 8.1435 8.1435 9.6208 9.6208 9.6235 9.6235 9.9744 9.9744 9.9757 9.9757 10.6163 10.6166 k = 0.0208 0.0361 0.2265 ( 5522 PWs) bands (ev): -19.6153 -19.6153 -19.6153 -19.6153 -6.2305 -6.2305 -6.2305 -6.2305 -4.3505 -4.3505 -4.3505 -4.3505 -4.0873 -4.0873 -4.0873 -4.0873 -0.0852 -0.0852 -0.0851 -0.0851 0.8530 0.8530 0.8531 0.8531 0.9789 0.9789 0.9790 0.9790 1.1774 1.1774 1.1775 1.1775 1.2596 1.2596 1.2596 1.2596 1.3730 1.3730 1.3730 1.3730 6.1021 6.1021 6.1022 6.1022 8.0031 8.0031 8.0070 8.0070 8.1554 8.1554 8.1602 8.1602 9.5370 9.5370 9.5382 9.5382 9.9933 9.9933 9.9937 9.9937 10.6168 10.6172 k = 0.0139 0.0241 0.2265 ( 5516 PWs) bands (ev): -19.6156 -19.6156 -19.6156 -19.6156 -6.2298 -6.2298 -6.2298 -6.2298 -4.3503 -4.3503 -4.3503 -4.3503 -4.0846 -4.0846 -4.0846 -4.0846 -0.0894 -0.0894 -0.0894 -0.0894 0.8527 0.8527 0.8527 0.8527 0.9787 0.9787 0.9787 0.9787 1.1770 1.1770 1.1770 1.1770 1.2598 1.2598 1.2598 1.2598 1.3717 1.3717 1.3717 1.3717 6.0957 6.0957 6.0957 6.0957 8.0946 8.0946 8.0974 8.0974 8.1690 8.1690 8.1722 8.1722 9.4620 9.4620 9.4624 9.4624 10.0127 10.0127 10.0128 10.0128 10.6133 10.6135 k = 0.0069 0.0120 0.2265 ( 5520 PWs) bands (ev): -19.6158 -19.6158 -19.6158 -19.6158 -6.2294 -6.2294 -6.2294 -6.2294 -4.3502 -4.3502 -4.3502 -4.3502 -4.0829 -4.0829 -4.0829 -4.0829 -0.0920 -0.0920 -0.0920 -0.0920 0.8525 0.8525 0.8525 0.8525 0.9785 0.9785 0.9785 0.9785 1.1767 1.1767 1.1767 1.1767 1.2599 1.2599 1.2599 1.2599 1.3709 1.3709 1.3709 1.3709 6.0917 6.0917 6.0917 6.0917 8.1547 8.1547 8.1559 8.1559 8.1793 8.1793 8.1806 8.1806 9.4093 9.4093 9.4093 9.4093 10.0269 10.0269 10.0269 10.0269 10.6075 10.6075 k = 0.0000 0.0000 0.2265 ( 5512 PWs) bands (ev): -19.6158 -19.6158 -19.6158 -19.6158 -6.2292 -6.2292 -6.2292 -6.2292 -4.3501 -4.3501 -4.3501 -4.3501 -4.0823 -4.0823 -4.0823 -4.0823 -0.0929 -0.0929 -0.0929 -0.0929 0.8525 0.8525 0.8525 0.8525 0.9785 0.9785 0.9785 0.9785 1.1766 1.1766 1.1766 1.1766 1.2600 1.2600 1.2600 1.2600 1.3707 1.3707 1.3707 1.3707 6.0904 6.0904 6.0904 6.0904 8.1720 8.1720 8.1720 8.1720 8.1875 8.1875 8.1875 8.1875 9.3901 9.3901 9.3901 9.3901 10.0320 10.0320 10.0320 10.0320 10.6046 10.6046 k = 0.5000 0.2887 0.2265 ( 5528 PWs) bands (ev): -19.5776 -19.5776 -19.5776 -19.5776 -6.3567 -6.3567 -6.3567 -6.3567 -4.5172 -4.5172 -4.5172 -4.5172 -4.2428 -4.2428 -4.2428 -4.2428 0.4402 0.4402 0.4402 0.4402 0.8940 0.8940 0.8940 0.8940 1.0747 1.0747 1.0747 1.0747 1.2356 1.2356 1.2356 1.2356 1.2711 1.2711 1.2711 1.2711 1.9699 1.9699 1.9699 1.9699 3.6261 3.6261 3.6261 3.6261 6.9589 6.9589 6.9589 6.9589 7.3706 7.3706 7.3706 7.3706 8.2804 8.2804 8.2804 8.2804 9.6371 9.6371 9.6371 9.6371 12.4824 12.4824 k = 0.5000 0.2887 0.2132 ( 5530 PWs) bands (ev): -19.5779 -19.5779 -19.5773 -19.5773 -6.3572 -6.3572 -6.3562 -6.3562 -4.5180 -4.5180 -4.5166 -4.5166 -4.2465 -4.2465 -4.2389 -4.2389 0.4311 0.4311 0.4493 0.4493 0.8927 0.8927 0.8953 0.8953 1.0729 1.0729 1.0766 1.0766 1.2345 1.2345 1.2368 1.2368 1.2702 1.2702 1.2720 1.2720 1.9542 1.9542 1.9859 1.9859 3.5877 3.5877 3.6652 3.6652 6.9260 6.9260 6.9923 6.9923 7.3212 7.3212 7.4198 7.4198 8.2467 8.2467 8.3072 8.3072 9.6333 9.6333 9.6545 9.6545 12.3834 12.3834 k = 0.5000 0.2887 0.1999 ( 5532 PWs) bands (ev): -19.5781 -19.5781 -19.5771 -19.5771 -6.3578 -6.3578 -6.3557 -6.3557 -4.5187 -4.5187 -4.5160 -4.5160 -4.2501 -4.2501 -4.2349 -4.2349 0.4220 0.4220 0.4581 0.4581 0.8915 0.8915 0.8965 0.8965 1.0711 1.0711 1.0784 1.0784 1.2333 1.2333 1.2380 1.2380 1.2693 1.2693 1.2730 1.2730 1.9389 1.9389 2.0020 2.0020 3.5503 3.5503 3.7047 3.7047 6.8940 6.8940 7.0260 7.0260 7.2721 7.2721 7.4683 7.4683 8.2073 8.2073 8.3263 8.3263 9.6438 9.6438 9.6842 9.6842 12.2876 12.2876 k = 0.5000 0.2887 0.1866 ( 5540 PWs) bands (ev): -19.5784 -19.5784 -19.5768 -19.5768 -6.3584 -6.3584 -6.3552 -6.3552 -4.5195 -4.5195 -4.5156 -4.5156 -4.2535 -4.2535 -4.2309 -4.2309 0.4129 0.4129 0.4667 0.4667 0.8902 0.8902 0.8978 0.8978 1.0694 1.0694 1.0802 1.0802 1.2322 1.2322 1.2392 1.2392 1.2684 1.2684 1.2739 1.2739 1.9240 1.9240 2.0181 2.0181 3.5141 3.5141 3.7444 3.7444 6.8631 6.8631 7.0596 7.0596 7.2238 7.2238 7.5159 7.5159 8.1636 8.1636 8.3374 8.3374 9.6689 9.6689 9.7247 9.7247 12.1955 12.1955 k = 0.5000 0.2887 0.1732 ( 5548 PWs) bands (ev): -19.5787 -19.5787 -19.5766 -19.5766 -6.3589 -6.3589 -6.3547 -6.3547 -4.5204 -4.5204 -4.5152 -4.5152 -4.2567 -4.2567 -4.2268 -4.2268 0.4040 0.4040 0.4751 0.4751 0.8890 0.8890 0.8990 0.8990 1.0676 1.0676 1.0819 1.0819 1.2311 1.2311 1.2404 1.2404 1.2676 1.2676 1.2749 1.2749 1.9098 1.9098 2.0340 2.0340 3.4794 3.4794 3.7838 3.7838 6.8335 6.8335 7.0917 7.0917 7.1777 7.1777 7.5622 7.5622 8.1172 8.1172 8.3410 8.3410 9.7079 9.7079 9.7744 9.7744 12.1074 12.1074 k = 0.5000 0.2887 0.1599 ( 5554 PWs) bands (ev): -19.5789 -19.5789 -19.5763 -19.5763 -6.3595 -6.3595 -6.3542 -6.3542 -4.5213 -4.5213 -4.5148 -4.5148 -4.2597 -4.2597 -4.2228 -4.2228 0.3953 0.3953 0.4830 0.4830 0.8879 0.8879 0.9003 0.9003 1.0660 1.0660 1.0837 1.0837 1.2300 1.2300 1.2415 1.2415 1.2668 1.2668 1.2758 1.2758 1.8962 1.8962 2.0496 2.0496 3.4463 3.4463 3.8226 3.8226 6.8054 6.8054 7.1103 7.1103 7.1459 7.1459 7.6068 7.6068 8.0693 8.0693 8.3380 8.3380 9.7600 9.7600 9.8318 9.8318 12.0237 12.0237 k = 0.5000 0.2887 0.1466 ( 5546 PWs) bands (ev): -19.5791 -19.5791 -19.5761 -19.5761 -6.3600 -6.3600 -6.3538 -6.3538 -4.5221 -4.5221 -4.5146 -4.5146 -4.2624 -4.2624 -4.2190 -4.2190 0.3870 0.3870 0.4906 0.4906 0.8868 0.8868 0.9014 0.9014 1.0644 1.0644 1.0853 1.0853 1.2290 1.2290 1.2426 1.2426 1.2661 1.2661 1.2767 1.2767 1.8834 1.8834 2.0647 2.0647 3.4152 3.4152 3.8605 3.8605 6.7790 6.7790 7.0784 7.0784 7.1656 7.1656 7.6494 7.6494 8.0214 8.0214 8.3296 8.3296 9.8234 9.8234 9.8953 9.8953 11.9446 11.9446 k = 0.5000 0.2887 0.1333 ( 5546 PWs) bands (ev): -19.5794 -19.5794 -19.5759 -19.5759 -6.3605 -6.3605 -6.3535 -6.3535 -4.5230 -4.5230 -4.5145 -4.5145 -4.2649 -4.2649 -4.2152 -4.2152 0.3791 0.3791 0.4977 0.4977 0.8857 0.8857 0.9026 0.9026 1.0629 1.0629 1.0869 1.0869 1.2281 1.2281 1.2437 1.2437 1.2654 1.2654 1.2776 1.2776 1.8714 1.8714 2.0793 2.0793 3.3861 3.3861 3.8970 3.8970 6.7544 6.7544 7.0373 7.0373 7.1955 7.1955 7.6897 7.6897 7.9744 7.9744 8.3172 8.3172 9.8965 9.8965 9.9638 9.9638 11.8707 11.8707 k = 0.5000 0.2887 0.1199 ( 5546 PWs) bands (ev): -19.5796 -19.5796 -19.5757 -19.5757 -6.3610 -6.3610 -6.3531 -6.3531 -4.5238 -4.5238 -4.5144 -4.5144 -4.2671 -4.2671 -4.2116 -4.2116 0.3716 0.3716 0.5042 0.5042 0.8848 0.8848 0.9036 0.9036 1.0615 1.0615 1.0884 1.0884 1.2272 1.2272 1.2447 1.2447 1.2647 1.2647 1.2785 1.2785 1.8604 1.8604 2.0930 2.0930 3.3593 3.3593 3.9318 3.9318 6.7318 6.7318 6.9975 6.9975 7.2249 7.2249 7.7274 7.7274 7.9295 7.9295 8.3021 8.3021 9.9769 9.9769 10.0363 10.0363 11.8022 11.8022 k = 0.5000 0.2887 0.1066 ( 5566 PWs) bands (ev): -19.5798 -19.5798 -19.5755 -19.5755 -6.3614 -6.3614 -6.3528 -6.3528 -4.5246 -4.5246 -4.5143 -4.5143 -4.2690 -4.2690 -4.2083 -4.2083 0.3647 0.3647 0.5102 0.5102 0.8838 0.8838 0.9046 0.9046 1.0602 1.0602 1.0897 1.0897 1.2263 1.2263 1.2456 1.2456 1.2641 1.2641 1.2793 1.2793 1.8503 1.8503 2.1058 2.1058 3.3349 3.3349 3.9644 3.9644 6.7112 6.7112 6.9604 6.9604 7.2528 7.2528 7.7618 7.7618 7.8877 7.8877 8.2855 8.2855 10.0618 10.0618 10.1127 10.1127 11.7395 11.7395 k = 0.5000 0.2887 0.0933 ( 5570 PWs) bands (ev): -19.5799 -19.5799 -19.5753 -19.5753 -6.3618 -6.3618 -6.3525 -6.3525 -4.5253 -4.5253 -4.5143 -4.5143 -4.2707 -4.2707 -4.2052 -4.2052 0.3585 0.3585 0.5155 0.5155 0.8830 0.8830 0.9054 0.9054 1.0591 1.0591 1.0909 1.0909 1.2256 1.2256 1.2464 1.2464 1.2636 1.2636 1.2800 1.2800 1.8413 1.8413 2.1175 2.1175 3.3130 3.3130 3.9944 3.9944 6.6928 6.6928 6.9265 6.9265 7.2786 7.2786 7.7915 7.7915 7.8512 7.8512 8.2683 8.2683 10.1457 10.1457 10.1951 10.1951 11.6831 11.6831 k = 0.5000 0.2887 0.0800 ( 5580 PWs) bands (ev): -19.5801 -19.5801 -19.5751 -19.5751 -6.3622 -6.3622 -6.3523 -6.3523 -4.5260 -4.5260 -4.5144 -4.5144 -4.2722 -4.2722 -4.2025 -4.2025 0.3529 0.3529 0.5202 0.5202 0.8823 0.8823 0.9062 0.9062 1.0581 1.0581 1.0920 1.0920 1.2250 1.2250 1.2472 1.2472 1.2631 1.2631 1.2806 1.2806 1.8334 1.8334 2.1280 2.1280 3.2938 3.2938 4.0215 4.0215 6.6766 6.6766 6.8962 6.8962 7.3019 7.3019 7.8007 7.8007 7.8358 7.8358 8.2513 8.2513 10.2228 10.2228 10.2859 10.2859 11.6333 11.6333 k = 0.5000 0.2887 0.0666 ( 5574 PWs) bands (ev): -19.5802 -19.5802 -19.5750 -19.5750 -6.3625 -6.3625 -6.3521 -6.3521 -4.5266 -4.5266 -4.5144 -4.5144 -4.2734 -4.2734 -4.2001 -4.2001 0.3481 0.3481 0.5242 0.5242 0.8818 0.8818 0.9069 0.9069 1.0572 1.0572 1.0929 1.0929 1.2244 1.2244 1.2478 1.2478 1.2627 1.2627 1.2812 1.2812 1.8266 1.8266 2.1371 2.1371 3.2773 3.2773 4.0452 4.0452 6.6628 6.6628 6.8698 6.8698 7.3223 7.3223 7.7771 7.7771 7.8544 7.8544 8.2354 8.2354 10.2913 10.2913 10.3830 10.3830 11.5904 11.5904 k = 0.5000 0.2887 0.0533 ( 5572 PWs) bands (ev): -19.5803 -19.5803 -19.5749 -19.5749 -6.3628 -6.3628 -6.3519 -6.3519 -4.5271 -4.5271 -4.5145 -4.5145 -4.2744 -4.2744 -4.1981 -4.1981 0.3441 0.3441 0.5276 0.5276 0.8813 0.8813 0.9075 0.9075 1.0565 1.0565 1.0937 1.0937 1.2240 1.2240 1.2483 1.2483 1.2624 1.2624 1.2817 1.2817 1.8210 1.8210 2.1448 2.1448 3.2638 3.2638 4.0652 4.0652 6.6515 6.6515 6.8478 6.8478 7.3395 7.3395 7.7528 7.7528 7.8748 7.8748 8.2211 8.2211 10.3508 10.3508 10.4817 10.4817 11.5546 11.5546 k = 0.5000 0.2887 0.0400 ( 5576 PWs) bands (ev): -19.5804 -19.5804 -19.5748 -19.5748 -6.3630 -6.3630 -6.3518 -6.3518 -4.5275 -4.5275 -4.5145 -4.5145 -4.2751 -4.2751 -4.1965 -4.1965 0.3409 0.3409 0.5302 0.5302 0.8809 0.8809 0.9079 0.9079 1.0559 1.0559 1.0943 1.0943 1.2236 1.2236 1.2488 1.2488 1.2622 1.2622 1.2821 1.2821 1.8166 1.8166 2.1508 2.1508 3.2531 3.2531 4.0811 4.0811 6.6426 6.6426 6.8303 6.8303 7.3532 7.3532 7.7329 7.7329 7.8919 7.8919 8.2091 8.2091 10.4002 10.4002 10.5768 10.5768 11.5259 11.5259 k = 0.5000 0.2887 0.0267 ( 5568 PWs) bands (ev): -19.5805 -19.5805 -19.5748 -19.5748 -6.3632 -6.3632 -6.3517 -6.3517 -4.5278 -4.5278 -4.5146 -4.5146 -4.2757 -4.2757 -4.1953 -4.1953 0.3387 0.3387 0.5320 0.5320 0.8806 0.8806 0.9082 0.9082 1.0555 1.0555 1.0948 1.0948 1.2234 1.2234 1.2491 1.2491 1.2620 1.2620 1.2824 1.2824 1.8135 1.8135 2.1552 2.1552 3.2455 3.2455 4.0926 4.0926 6.6362 6.6362 6.8177 6.8177 7.3632 7.3632 7.7184 7.7184 7.9047 7.9047 8.2000 8.2000 10.4375 10.4375 10.6610 10.6610 11.5024 11.5024 k = 0.5000 0.2887 0.0133 ( 5564 PWs) bands (ev): -19.5805 -19.5805 -19.5747 -19.5747 -6.3633 -6.3633 -6.3516 -6.3516 -4.5279 -4.5279 -4.5146 -4.5146 -4.2760 -4.2760 -4.1946 -4.1946 0.3373 0.3373 0.5332 0.5332 0.8804 0.8804 0.9084 0.9084 1.0553 1.0553 1.0951 1.0951 1.2232 1.2232 1.2493 1.2493 1.2619 1.2619 1.2826 1.2826 1.8116 1.8116 2.1579 2.1579 3.2409 3.2409 4.0997 4.0997 6.6323 6.6323 6.8101 6.8101 7.3693 7.3693 7.7095 7.7095 7.9126 7.9126 8.1943 8.1943 10.4608 10.4608 10.7224 10.7224 11.4670 11.4670 k = 0.5000 0.2887-0.0000 ( 5560 PWs) bands (ev): -19.5805 -19.5805 -19.5747 -19.5747 -6.3633 -6.3633 -6.3516 -6.3516 -4.5280 -4.5280 -4.5146 -4.5146 -4.2761 -4.2761 -4.1944 -4.1944 0.3368 0.3368 0.5336 0.5336 0.8804 0.8804 0.9085 0.9085 1.0552 1.0552 1.0951 1.0951 1.2232 1.2232 1.2493 1.2493 1.2619 1.2619 1.2826 1.2826 1.8110 1.8110 2.1587 2.1587 3.2393 3.2393 4.1020 4.1020 6.6311 6.6311 6.8075 6.8075 7.3713 7.3713 7.7066 7.7066 7.9153 7.9153 8.1923 8.1923 10.4687 10.4687 10.7456 10.7456 11.4445 11.4445 k = 0.3333 0.5774-0.0000 ( 5535 PWs) bands (ev): -19.5756 -19.5756 -19.5700 -19.5700 -6.3697 -6.3697 -6.3601 -6.3601 -4.5252 -4.5252 -4.4576 -4.4576 -4.3839 -4.3839 -4.2718 -4.2718 0.4485 0.4485 0.6320 0.6320 0.8793 0.8793 0.8916 0.8916 0.9215 0.9215 1.2058 1.2058 1.2226 1.2226 1.2383 1.2383 1.2477 1.2477 1.2786 1.2786 2.1141 2.1141 2.2464 2.2464 3.5351 3.5351 3.5973 3.5973 5.2743 5.2743 6.4030 6.4030 7.4641 7.4641 7.5413 7.5413 8.5928 8.5928 8.6718 8.6718 10.6352 10.6352 10.6626 10.6626 11.9097 11.9097 k = 0.3333 0.5774 0.0133 ( 5547 PWs) bands (ev): -19.5756 -19.5756 -19.5700 -19.5700 -6.3697 -6.3697 -6.3601 -6.3601 -4.5251 -4.5251 -4.4577 -4.4577 -4.3837 -4.3837 -4.2720 -4.2720 0.4485 0.4485 0.6320 0.6320 0.8793 0.8793 0.8916 0.8916 0.9215 0.9215 1.2058 1.2058 1.2226 1.2226 1.2383 1.2383 1.2477 1.2477 1.2786 1.2786 2.1142 2.1142 2.2466 2.2466 3.5349 3.5349 3.5970 3.5970 5.2764 5.2764 6.4001 6.4001 7.4639 7.4639 7.5412 7.5412 8.5918 8.5918 8.6710 8.6710 10.6399 10.6399 10.6674 10.6674 11.9112 11.9112 k = 0.3333 0.5774 0.0267 ( 5556 PWs) bands (ev): -19.5756 -19.5756 -19.5700 -19.5700 -6.3696 -6.3696 -6.3602 -6.3602 -4.5247 -4.5247 -4.4582 -4.4582 -4.3830 -4.3830 -4.2728 -4.2728 0.4486 0.4486 0.6321 0.6321 0.8792 0.8792 0.8915 0.8915 0.9216 0.9216 1.2057 1.2057 1.2225 1.2225 1.2382 1.2382 1.2477 1.2477 1.2787 1.2787 2.1145 2.1145 2.2471 2.2471 3.5344 3.5344 3.5961 3.5961 5.2826 5.2826 6.3916 6.3916 7.4635 7.4635 7.5408 7.5408 8.5888 8.5888 8.6687 8.6687 10.6539 10.6539 10.6817 10.6817 11.9160 11.9160 k = 0.3333 0.5774 0.0400 ( 5559 PWs) bands (ev): -19.5755 -19.5755 -19.5701 -19.5701 -6.3695 -6.3695 -6.3603 -6.3603 -4.5240 -4.5240 -4.4589 -4.4589 -4.3819 -4.3819 -4.2741 -4.2741 0.4486 0.4486 0.6323 0.6323 0.8792 0.8792 0.8915 0.8915 0.9216 0.9216 1.2057 1.2057 1.2225 1.2225 1.2380 1.2380 1.2476 1.2476 1.2787 1.2787 2.1150 2.1150 2.2480 2.2480 3.5335 3.5335 3.5947 3.5947 5.2930 5.2930 6.3774 6.3774 7.4627 7.4627 7.5402 7.5402 8.5840 8.5840 8.6649 8.6649 10.6770 10.6770 10.7055 10.7055 11.9239 11.9239 k = 0.3333 0.5774 0.0533 ( 5550 PWs) bands (ev): -19.5755 -19.5755 -19.5702 -19.5702 -6.3693 -6.3693 -6.3604 -6.3604 -4.5230 -4.5230 -4.4599 -4.4599 -4.3804 -4.3804 -4.2758 -4.2758 0.4487 0.4487 0.6326 0.6326 0.8791 0.8791 0.8914 0.8914 0.9218 0.9218 1.2058 1.2058 1.2224 1.2224 1.2378 1.2378 1.2476 1.2476 1.2788 1.2788 2.1157 2.1157 2.2491 2.2491 3.5324 3.5324 3.5927 3.5927 5.3074 5.3074 6.3579 6.3579 7.4617 7.4617 7.5394 7.5394 8.5777 8.5777 8.6599 8.6599 10.7090 10.7090 10.7383 10.7383 11.9350 11.9350 k = 0.3333 0.5774 0.0666 ( 5544 PWs) bands (ev): -19.5753 -19.5753 -19.5703 -19.5703 -6.3691 -6.3691 -6.3605 -6.3605 -4.5218 -4.5218 -4.4612 -4.4612 -4.3784 -4.3784 -4.2781 -4.2781 0.4488 0.4488 0.6329 0.6329 0.8791 0.8791 0.8912 0.8912 0.9219 0.9219 1.2058 1.2058 1.2223 1.2223 1.2376 1.2376 1.2475 1.2475 1.2789 1.2789 2.1166 2.1166 2.2505 2.2505 3.5310 3.5310 3.5904 3.5904 5.3258 5.3258 6.3332 6.3332 7.4605 7.4605 7.5383 7.5383 8.5699 8.5699 8.6538 8.6538 10.7495 10.7495 10.7799 10.7799 11.9492 11.9492 k = 0.3333 0.5774 0.0800 ( 5547 PWs) bands (ev): -19.5752 -19.5752 -19.5704 -19.5704 -6.3688 -6.3688 -6.3607 -6.3607 -4.5203 -4.5203 -4.4627 -4.4627 -4.3761 -4.3761 -4.2808 -4.2808 0.4490 0.4490 0.6332 0.6332 0.8790 0.8790 0.8911 0.8911 0.9221 0.9221 1.2058 1.2058 1.2222 1.2222 1.2373 1.2373 1.2475 1.2475 1.2791 1.2791 2.1175 2.1175 2.2521 2.2521 3.5294 3.5294 3.5876 3.5876 5.3481 5.3481 6.3038 6.3038 7.4591 7.4591 7.5372 7.5372 8.5613 8.5613 8.6469 8.6469 10.7983 10.7983 10.8298 10.8298 11.9666 11.9666 k = 0.3333 0.5774 0.0933 ( 5571 PWs) bands (ev): -19.5751 -19.5751 -19.5706 -19.5706 -6.3685 -6.3685 -6.3609 -6.3609 -4.5186 -4.5186 -4.4645 -4.4645 -4.3734 -4.3734 -4.2839 -4.2839 0.4491 0.4491 0.6336 0.6336 0.8788 0.8788 0.8909 0.8909 0.9222 0.9222 1.2058 1.2058 1.2221 1.2221 1.2369 1.2369 1.2473 1.2473 1.2792 1.2792 2.1186 2.1186 2.2539 2.2539 3.5276 3.5276 3.5846 3.5846 5.3741 5.3741 6.2700 6.2700 7.4576 7.4576 7.5359 7.5359 8.5519 8.5519 8.6396 8.6396 10.8549 10.8549 10.8875 10.8875 11.9871 11.9871 k = 0.3333 0.5774 0.1066 ( 5571 PWs) bands (ev): -19.5749 -19.5749 -19.5707 -19.5707 -6.3682 -6.3682 -6.3611 -6.3611 -4.5167 -4.5167 -4.4665 -4.4665 -4.3702 -4.3702 -4.2874 -4.2874 0.4492 0.4492 0.6340 0.6340 0.8787 0.8787 0.8907 0.8907 0.9224 0.9224 1.2058 1.2058 1.2220 1.2220 1.2366 1.2366 1.2473 1.2473 1.2793 1.2793 2.1197 2.1197 2.2558 2.2558 3.5258 3.5258 3.5814 3.5814 5.4037 5.4037 6.2323 6.2323 7.4560 7.4560 7.5346 7.5346 8.5423 8.5423 8.6320 8.6320 10.9187 10.9187 10.9526 10.9526 12.0107 12.0107 k = 0.3333 0.5774 0.1199 ( 5571 PWs) bands (ev): -19.5747 -19.5747 -19.5709 -19.5709 -6.3678 -6.3678 -6.3613 -6.3613 -4.5145 -4.5145 -4.4687 -4.4687 -4.3668 -4.3668 -4.2913 -4.2913 0.4494 0.4494 0.6344 0.6344 0.8786 0.8786 0.8905 0.8905 0.9226 0.9226 1.2058 1.2058 1.2219 1.2219 1.2363 1.2363 1.2472 1.2472 1.2795 1.2795 2.1209 2.1209 2.2578 2.2578 3.5239 3.5239 3.5782 3.5782 5.4367 5.4367 6.1910 6.1910 7.4544 7.4544 7.5332 7.5332 8.5328 8.5328 8.6244 8.6244 10.9895 10.9895 11.0245 11.0245 12.0373 12.0373 k = 0.3333 0.5774 0.1333 ( 5583 PWs) bands (ev): -19.5745 -19.5745 -19.5711 -19.5711 -6.3674 -6.3674 -6.3616 -6.3616 -4.5122 -4.5122 -4.4711 -4.4711 -4.3630 -4.3630 -4.2954 -4.2954 0.4495 0.4495 0.6348 0.6348 0.8785 0.8785 0.8903 0.8903 0.9227 0.9227 1.2058 1.2058 1.2217 1.2217 1.2359 1.2359 1.2471 1.2471 1.2796 1.2796 2.1220 2.1220 2.2597 2.2597 3.5220 3.5220 3.5749 3.5749 5.4728 5.4728 6.1468 6.1468 7.4529 7.4529 7.5319 7.5319 8.5236 8.5236 8.6172 8.6172 11.0667 11.0667 11.1028 11.1028 12.0670 12.0670 k = 0.3333 0.5774 0.1466 ( 5592 PWs) bands (ev): -19.5743 -19.5743 -19.5713 -19.5713 -6.3670 -6.3670 -6.3619 -6.3619 -4.5097 -4.5097 -4.4737 -4.4737 -4.3589 -4.3589 -4.2999 -4.2999 0.4497 0.4497 0.6351 0.6351 0.8784 0.8784 0.8902 0.8902 0.9229 0.9229 1.2058 1.2058 1.2216 1.2216 1.2356 1.2356 1.2470 1.2470 1.2797 1.2797 2.1231 2.1231 2.2615 2.2615 3.5203 3.5203 3.5719 3.5719 5.5120 5.5120 6.1001 6.1001 7.4515 7.4515 7.5306 7.5306 8.5151 8.5151 8.6104 8.6104 11.1499 11.1499 11.1869 11.1869 12.0996 12.0996 k = 0.3333 0.5774 0.1599 ( 5592 PWs) bands (ev): -19.5741 -19.5741 -19.5716 -19.5716 -6.3666 -6.3666 -6.3623 -6.3623 -4.5070 -4.5070 -4.4764 -4.4764 -4.3546 -4.3546 -4.3046 -4.3046 0.4498 0.4498 0.6355 0.6355 0.8783 0.8783 0.8900 0.8900 0.9230 0.9230 1.2058 1.2058 1.2215 1.2215 1.2353 1.2353 1.2469 1.2469 1.2798 1.2798 2.1241 2.1241 2.2631 2.2631 3.5186 3.5186 3.5691 3.5691 5.5538 5.5538 6.0513 6.0513 7.4502 7.4502 7.5295 7.5295 8.5075 8.5075 8.6044 8.6044 11.2386 11.2386 11.2764 11.2764 12.1351 12.1351 k = 0.3333 0.5774 0.1732 ( 5583 PWs) bands (ev): -19.5738 -19.5738 -19.5718 -19.5718 -6.3662 -6.3662 -6.3626 -6.3626 -4.5043 -4.5043 -4.4792 -4.4792 -4.3500 -4.3500 -4.3095 -4.3095 0.4499 0.4499 0.6358 0.6358 0.8782 0.8782 0.8899 0.8899 0.9231 0.9231 1.2058 1.2058 1.2214 1.2214 1.2351 1.2351 1.2468 1.2468 1.2799 1.2799 2.1249 2.1249 2.2646 2.2646 3.5172 3.5172 3.5667 3.5667 5.5981 5.5981 6.0010 6.0010 7.4491 7.4491 7.5285 7.5285 8.5009 8.5009 8.5993 8.5993 11.3324 11.3324 11.3709 11.3709 12.1724 12.1724 k = 0.3333 0.5774 0.1866 ( 5589 PWs) bands (ev): -19.5736 -19.5736 -19.5720 -19.5720 -6.3657 -6.3657 -6.3630 -6.3630 -4.5015 -4.5015 -4.4821 -4.4821 -4.3452 -4.3452 -4.3145 -4.3145 0.4500 0.4500 0.6360 0.6360 0.8782 0.8782 0.8898 0.8898 0.9232 0.9232 1.2058 1.2058 1.2214 1.2214 1.2349 1.2349 1.2468 1.2468 1.2800 1.2800 2.1256 2.1256 2.2658 2.2658 3.5161 3.5161 3.5647 3.5647 5.6445 5.6445 5.9498 5.9498 7.4481 7.4481 7.5277 7.5277 8.4957 8.4957 8.5951 8.5951 11.4308 11.4308 11.4698 11.4698 12.1013 12.1013 k = 0.3333 0.5774 0.1999 ( 5601 PWs) bands (ev): -19.5733 -19.5733 -19.5723 -19.5723 -6.3653 -6.3653 -6.3633 -6.3633 -4.4987 -4.4987 -4.4849 -4.4849 -4.3403 -4.3403 -4.3196 -4.3196 0.4501 0.4501 0.6362 0.6362 0.8781 0.8781 0.8897 0.8897 0.9233 0.9233 1.2058 1.2058 1.2213 1.2213 1.2347 1.2347 1.2467 1.2467 1.2800 1.2800 2.1262 2.1262 2.2667 2.2667 3.5153 3.5153 3.5632 3.5632 5.6927 5.6927 5.8980 5.8980 7.4475 7.4475 7.5271 7.5271 8.4919 8.4919 8.5921 8.5921 11.5333 11.5333 11.5727 11.5727 11.9834 11.9834 k = 0.3333 0.5774 0.2132 ( 5589 PWs) bands (ev): -19.5731 -19.5731 -19.5726 -19.5726 -6.3650 -6.3650 -6.3637 -6.3637 -4.4961 -4.4961 -4.4875 -4.4875 -4.3353 -4.3353 -4.3248 -4.3248 0.4501 0.4501 0.6363 0.6363 0.8781 0.8781 0.8897 0.8897 0.9234 0.9234 1.2058 1.2058 1.2213 1.2213 1.2346 1.2346 1.2467 1.2467 1.2801 1.2801 2.1265 2.1265 2.2672 2.2672 3.5147 3.5147 3.5623 3.5623 5.7421 5.7421 5.8465 5.8465 7.4471 7.4471 7.5267 7.5267 8.4895 8.4895 8.5902 8.5902 11.6388 11.6388 11.6792 11.6792 11.8686 11.8686 k = 0.3333 0.5774 0.2265 ( 5592 PWs) bands (ev): -19.5728 -19.5728 -19.5728 -19.5728 -6.3648 -6.3648 -6.3638 -6.3638 -4.4948 -4.4948 -4.4889 -4.4889 -4.3310 -4.3310 -4.3291 -4.3291 0.4501 0.4501 0.6363 0.6363 0.8781 0.8781 0.8897 0.8897 0.9234 0.9234 1.2058 1.2058 1.2213 1.2213 1.2346 1.2346 1.2467 1.2467 1.2801 1.2801 2.1266 2.1266 2.2674 2.2674 3.5146 3.5146 3.5620 3.5620 5.7844 5.7844 5.8034 5.8034 7.4469 7.4469 7.5266 7.5266 8.4887 8.4887 8.5896 8.5896 11.7264 11.7264 11.7779 11.7779 11.7830 11.7830 Writing output data file BaZnSi.save init_run : 0.38s CPU 0.53s WALL ( 1 calls) electrons : 224.67s CPU 227.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 224.66s CPU 227.73s 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 : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 288 calls) cegterg : 208.81s CPU 211.24s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 110.02s CPU 111.73s WALL ( 7433 calls) s_psi : 10.31s CPU 10.46s WALL ( 7433 calls) g_psi : 0.33s CPU 0.35s WALL ( 6662 calls) cdiaghg : 73.52s CPU 74.16s WALL ( 6950 calls) cegterg:over : 9.65s CPU 9.92s WALL ( 6662 calls) cegterg:upda : 9.40s CPU 9.23s WALL ( 6662 calls) cegterg:last : 4.15s CPU 4.15s WALL ( 1149 calls) cdiaghg:chol : 4.37s CPU 4.29s WALL ( 6950 calls) cdiaghg:inve : 3.28s CPU 3.10s WALL ( 6950 calls) cdiaghg:para : 5.19s CPU 5.19s WALL ( 13900 calls) Called by h_psi: h_psi:vloc : 88.26s CPU 89.87s WALL ( 7433 calls) h_psi:vnl : 21.38s CPU 21.48s WALL ( 7433 calls) add_vuspsi : 11.55s CPU 11.53s WALL ( 7433 calls) General routines calbec : 9.80s CPU 9.93s WALL ( 7433 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.60s CPU 84.15s WALL ( 888664 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.26s WALL ( 576 calls) Parallel routines fft_scatter : 29.87s CPU 30.10s WALL ( 888687 calls) PWSCF : 4m 5.10s CPU 4m19.22s WALL This run was terminated on: 14: 8:58 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=