Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:29:24 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: ./BaPAu.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 22 6 4174 1034 162 Max 57 23 7 4185 1053 167 Sum 2029 805 241 150411 37499 5941 bravais-lattice index = 14 lattice parameter (alat) = 8.3276 a.u. unit-cell volume = 1021.2212 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.327644 celldm(2)= 1.000000 celldm(3)= 2.041844 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 2.041844 ) 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 0.489753 ) 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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) Au 11.00 196.96660 Au( 1.00) P 5.00 30.97380 P( 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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 ) ( -1.0209222 ) 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0034364 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0034364 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0034364 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0034364 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0034364 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0034364 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0034364 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0034364 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0034364 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0034364 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034364 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0034364 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0034364 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0034364 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0034364 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0034364 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0034364 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034364 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0034364 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0034364 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0034364 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0034364 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0034364 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0034364 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034364 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0034364 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0034364 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0034364 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0034364 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0034364 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0034364 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0034364 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0034364 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0034364 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0034364 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0034364 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0034364 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0034364 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034364 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034364 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0034364 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0034364 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0034364 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0034364 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0034364 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034364 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0034364 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034364 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0034364 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0034364 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0034364 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034364 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0034364 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0034364 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0034364 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034364 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0034364 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034364 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0034364 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0034364 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0034364 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0034364 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034364 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034364 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0034364 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0034364 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0034364 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0034364 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0034364 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0034364 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0034364 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0034364 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0034364 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0034364 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0034364 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0034364 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0034364 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0034364 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0034364 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034364 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0034364 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0034364 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0034364 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0034364 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0034364 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0034364 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0034364 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034364 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0034364 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0034364 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0034364 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0034364 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0034364 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0034364 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0034364 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034364 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0034364 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0034364 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0034364 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0034364 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0034364 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0034364 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0034364 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0034364 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0034364 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0034364 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0034364 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0034364 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0034364 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0034364 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0034364 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 119) = ( 0.0000000 0.0000000 0.0136043), wk = 0.0034364 k( 120) = ( 0.0000000 0.0000000 0.0272085), wk = 0.0034364 k( 121) = ( 0.0000000 0.0000000 0.0408128), wk = 0.0034364 k( 122) = ( 0.0000000 0.0000000 0.0544170), wk = 0.0034364 k( 123) = ( 0.0000000 0.0000000 0.0680213), wk = 0.0034364 k( 124) = ( 0.0000000 0.0000000 0.0816255), wk = 0.0034364 k( 125) = ( 0.0000000 0.0000000 0.0952298), wk = 0.0034364 k( 126) = ( 0.0000000 0.0000000 0.1088341), wk = 0.0034364 k( 127) = ( 0.0000000 0.0000000 0.1224383), wk = 0.0034364 k( 128) = ( 0.0000000 0.0000000 0.1360426), wk = 0.0034364 k( 129) = ( 0.0000000 0.0000000 0.1496468), wk = 0.0034364 k( 130) = ( 0.0000000 0.0000000 0.1632511), wk = 0.0034364 k( 131) = ( 0.0000000 0.0000000 0.1768554), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.1904596), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.2040639), wk = 0.0034364 k( 134) = ( 0.0000000 0.0000000 0.2176681), wk = 0.0034364 k( 135) = ( 0.0000000 0.0000000 0.2312724), wk = 0.0034364 k( 136) = ( 0.0000000 0.0000000 0.2448766), wk = 0.0034364 k( 137) = ( 0.0000000 0.0000000 0.2448766), wk = 0.0034364 k( 138) = ( 0.0119048 0.0068732 0.2448766), wk = 0.0034364 k( 139) = ( 0.0238095 0.0137464 0.2448766), wk = 0.0034364 k( 140) = ( 0.0357143 0.0206197 0.2448766), wk = 0.0034364 k( 141) = ( 0.0476191 0.0274929 0.2448766), wk = 0.0034364 k( 142) = ( 0.0595238 0.0343661 0.2448766), wk = 0.0034364 k( 143) = ( 0.0714286 0.0412393 0.2448766), wk = 0.0034364 k( 144) = ( 0.0833333 0.0481125 0.2448766), wk = 0.0034364 k( 145) = ( 0.0952381 0.0549857 0.2448766), wk = 0.0034364 k( 146) = ( 0.1071429 0.0618590 0.2448766), wk = 0.0034364 k( 147) = ( 0.1190476 0.0687322 0.2448766), wk = 0.0034364 k( 148) = ( 0.1309524 0.0756054 0.2448766), wk = 0.0034364 k( 149) = ( 0.1428571 0.0824786 0.2448766), wk = 0.0034364 k( 150) = ( 0.1547619 0.0893518 0.2448766), wk = 0.0034364 k( 151) = ( 0.1666667 0.0962250 0.2448766), wk = 0.0034364 k( 152) = ( 0.1785714 0.1030983 0.2448766), wk = 0.0034364 k( 153) = ( 0.1904762 0.1099715 0.2448766), wk = 0.0034364 k( 154) = ( 0.2023810 0.1168447 0.2448766), wk = 0.0034364 k( 155) = ( 0.2142857 0.1237179 0.2448766), wk = 0.0034364 k( 156) = ( 0.2261905 0.1305911 0.2448766), wk = 0.0034364 k( 157) = ( 0.2380952 0.1374644 0.2448766), wk = 0.0034364 k( 158) = ( 0.2500000 0.1443376 0.2448766), wk = 0.0034364 k( 159) = ( 0.2619048 0.1512108 0.2448766), wk = 0.0034364 k( 160) = ( 0.2738095 0.1580840 0.2448766), wk = 0.0034364 k( 161) = ( 0.2857143 0.1649572 0.2448766), wk = 0.0034364 k( 162) = ( 0.2976190 0.1718304 0.2448766), wk = 0.0034364 k( 163) = ( 0.3095238 0.1787037 0.2448766), wk = 0.0034364 k( 164) = ( 0.3214286 0.1855769 0.2448766), wk = 0.0034364 k( 165) = ( 0.3333333 0.1924501 0.2448766), wk = 0.0034364 k( 166) = ( 0.3452381 0.1993233 0.2448766), wk = 0.0034364 k( 167) = ( 0.3571429 0.2061965 0.2448766), wk = 0.0034364 k( 168) = ( 0.3690476 0.2130697 0.2448766), wk = 0.0034364 k( 169) = ( 0.3809524 0.2199430 0.2448766), wk = 0.0034364 k( 170) = ( 0.3928571 0.2268162 0.2448766), wk = 0.0034364 k( 171) = ( 0.4047619 0.2336894 0.2448766), wk = 0.0034364 k( 172) = ( 0.4166667 0.2405626 0.2448766), wk = 0.0034364 k( 173) = ( 0.4285714 0.2474358 0.2448766), wk = 0.0034364 k( 174) = ( 0.4404762 0.2543090 0.2448766), wk = 0.0034364 k( 175) = ( 0.4523810 0.2611823 0.2448766), wk = 0.0034364 k( 176) = ( 0.4642857 0.2680555 0.2448766), wk = 0.0034364 k( 177) = ( 0.4761905 0.2749287 0.2448766), wk = 0.0034364 k( 178) = ( 0.4880952 0.2818019 0.2448766), wk = 0.0034364 k( 179) = ( 0.5000000 0.2886751 0.2448766), wk = 0.0034364 k( 180) = ( 0.5000000 0.2886751 0.2448766), wk = 0.0034364 k( 181) = ( 0.4930556 0.3007033 0.2448766), wk = 0.0034364 k( 182) = ( 0.4861111 0.3127314 0.2448766), wk = 0.0034364 k( 183) = ( 0.4791667 0.3247595 0.2448766), wk = 0.0034364 k( 184) = ( 0.4722222 0.3367877 0.2448766), wk = 0.0034364 k( 185) = ( 0.4652778 0.3488158 0.2448766), wk = 0.0034364 k( 186) = ( 0.4583333 0.3608439 0.2448766), wk = 0.0034364 k( 187) = ( 0.4513889 0.3728720 0.2448766), wk = 0.0034364 k( 188) = ( 0.4444444 0.3849002 0.2448766), wk = 0.0034364 k( 189) = ( 0.4375000 0.3969283 0.2448766), wk = 0.0034364 k( 190) = ( 0.4305556 0.4089564 0.2448766), wk = 0.0034364 k( 191) = ( 0.4236111 0.4209846 0.2448766), wk = 0.0034364 k( 192) = ( 0.4166667 0.4330127 0.2448766), wk = 0.0034364 k( 193) = ( 0.4097222 0.4450408 0.2448766), wk = 0.0034364 k( 194) = ( 0.4027778 0.4570690 0.2448766), wk = 0.0034364 k( 195) = ( 0.3958333 0.4690971 0.2448766), wk = 0.0034364 k( 196) = ( 0.3888889 0.4811252 0.2448766), wk = 0.0034364 k( 197) = ( 0.3819444 0.4931534 0.2448766), wk = 0.0034364 k( 198) = ( 0.3750000 0.5051815 0.2448766), wk = 0.0034364 k( 199) = ( 0.3680556 0.5172096 0.2448766), wk = 0.0034364 k( 200) = ( 0.3611111 0.5292377 0.2448766), wk = 0.0034364 k( 201) = ( 0.3541667 0.5412659 0.2448766), wk = 0.0034364 k( 202) = ( 0.3472222 0.5532940 0.2448766), wk = 0.0034364 k( 203) = ( 0.3402778 0.5653221 0.2448766), wk = 0.0034364 k( 204) = ( 0.3333333 0.5773503 0.2448766), wk = 0.0034364 k( 205) = ( 0.3333333 0.5773503 0.2448766), wk = 0.0034364 k( 206) = ( 0.3263889 0.5653221 0.2448766), wk = 0.0034364 k( 207) = ( 0.3194444 0.5532940 0.2448766), wk = 0.0034364 k( 208) = ( 0.3125000 0.5412659 0.2448766), wk = 0.0034364 k( 209) = ( 0.3055556 0.5292378 0.2448766), wk = 0.0034364 k( 210) = ( 0.2986111 0.5172096 0.2448766), wk = 0.0034364 k( 211) = ( 0.2916667 0.5051815 0.2448766), wk = 0.0034364 k( 212) = ( 0.2847222 0.4931534 0.2448766), wk = 0.0034364 k( 213) = ( 0.2777778 0.4811252 0.2448766), wk = 0.0034364 k( 214) = ( 0.2708333 0.4690971 0.2448766), wk = 0.0034364 k( 215) = ( 0.2638889 0.4570690 0.2448766), wk = 0.0034364 k( 216) = ( 0.2569444 0.4450408 0.2448766), wk = 0.0034364 k( 217) = ( 0.2500000 0.4330127 0.2448766), wk = 0.0034364 k( 218) = ( 0.2430556 0.4209846 0.2448766), wk = 0.0034364 k( 219) = ( 0.2361111 0.4089564 0.2448766), wk = 0.0034364 k( 220) = ( 0.2291667 0.3969283 0.2448766), wk = 0.0034364 k( 221) = ( 0.2222222 0.3849002 0.2448766), wk = 0.0034364 k( 222) = ( 0.2152778 0.3728721 0.2448766), wk = 0.0034364 k( 223) = ( 0.2083333 0.3608439 0.2448766), wk = 0.0034364 k( 224) = ( 0.2013889 0.3488158 0.2448766), wk = 0.0034364 k( 225) = ( 0.1944444 0.3367876 0.2448766), wk = 0.0034364 k( 226) = ( 0.1875000 0.3247595 0.2448766), wk = 0.0034364 k( 227) = ( 0.1805556 0.3127314 0.2448766), wk = 0.0034364 k( 228) = ( 0.1736111 0.3007033 0.2448766), wk = 0.0034364 k( 229) = ( 0.1666667 0.2886751 0.2448766), wk = 0.0034364 k( 230) = ( 0.1597222 0.2766470 0.2448766), wk = 0.0034364 k( 231) = ( 0.1527778 0.2646189 0.2448766), wk = 0.0034364 k( 232) = ( 0.1458333 0.2525907 0.2448766), wk = 0.0034364 k( 233) = ( 0.1388889 0.2405626 0.2448766), wk = 0.0034364 k( 234) = ( 0.1319444 0.2285345 0.2448766), wk = 0.0034364 k( 235) = ( 0.1250000 0.2165064 0.2448766), wk = 0.0034364 k( 236) = ( 0.1180556 0.2044782 0.2448766), wk = 0.0034364 k( 237) = ( 0.1111111 0.1924501 0.2448766), wk = 0.0034364 k( 238) = ( 0.1041667 0.1804220 0.2448766), wk = 0.0034364 k( 239) = ( 0.0972222 0.1683938 0.2448766), wk = 0.0034364 k( 240) = ( 0.0902778 0.1563657 0.2448766), wk = 0.0034364 k( 241) = ( 0.0833333 0.1443376 0.2448766), wk = 0.0034364 k( 242) = ( 0.0763889 0.1323094 0.2448766), wk = 0.0034364 k( 243) = ( 0.0694444 0.1202813 0.2448766), wk = 0.0034364 k( 244) = ( 0.0625000 0.1082532 0.2448766), wk = 0.0034364 k( 245) = ( 0.0555556 0.0962251 0.2448766), wk = 0.0034364 k( 246) = ( 0.0486111 0.0841969 0.2448766), wk = 0.0034364 k( 247) = ( 0.0416667 0.0721688 0.2448766), wk = 0.0034364 k( 248) = ( 0.0347222 0.0601406 0.2448766), wk = 0.0034364 k( 249) = ( 0.0277778 0.0481125 0.2448766), wk = 0.0034364 k( 250) = ( 0.0208333 0.0360844 0.2448766), wk = 0.0034364 k( 251) = ( 0.0138889 0.0240563 0.2448766), wk = 0.0034364 k( 252) = ( 0.0069444 0.0120281 0.2448766), wk = 0.0034364 k( 253) = ( 0.0000000 0.0000000 0.2448766), wk = 0.0034364 k( 254) = ( 0.5000000 0.2886751 0.2448766), wk = 0.0034364 k( 255) = ( 0.5000000 0.2886751 0.2312724), wk = 0.0034364 k( 256) = ( 0.5000000 0.2886751 0.2176681), wk = 0.0034364 k( 257) = ( 0.5000000 0.2886751 0.2040639), wk = 0.0034364 k( 258) = ( 0.5000000 0.2886751 0.1904596), wk = 0.0034364 k( 259) = ( 0.5000000 0.2886751 0.1768554), wk = 0.0034364 k( 260) = ( 0.5000000 0.2886751 0.1632511), wk = 0.0034364 k( 261) = ( 0.5000000 0.2886751 0.1496468), wk = 0.0034364 k( 262) = ( 0.5000000 0.2886751 0.1360426), wk = 0.0034364 k( 263) = ( 0.5000000 0.2886751 0.1224383), wk = 0.0034364 k( 264) = ( 0.5000000 0.2886751 0.1088341), wk = 0.0034364 k( 265) = ( 0.5000000 0.2886751 0.0952298), wk = 0.0034364 k( 266) = ( 0.5000000 0.2886751 0.0816255), wk = 0.0034364 k( 267) = ( 0.5000000 0.2886751 0.0680213), wk = 0.0034364 k( 268) = ( 0.5000000 0.2886751 0.0544170), wk = 0.0034364 k( 269) = ( 0.5000000 0.2886751 0.0408128), wk = 0.0034364 k( 270) = ( 0.5000000 0.2886751 0.0272085), wk = 0.0034364 k( 271) = ( 0.5000000 0.2886751 0.0136043), wk = 0.0034364 k( 272) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034364 k( 273) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034364 k( 274) = ( 0.3333333 0.5773503 0.0136043), wk = 0.0034364 k( 275) = ( 0.3333333 0.5773503 0.0272085), wk = 0.0034364 k( 276) = ( 0.3333333 0.5773503 0.0408128), wk = 0.0034364 k( 277) = ( 0.3333333 0.5773503 0.0544170), wk = 0.0034364 k( 278) = ( 0.3333333 0.5773503 0.0680213), wk = 0.0034364 k( 279) = ( 0.3333333 0.5773503 0.0816255), wk = 0.0034364 k( 280) = ( 0.3333333 0.5773503 0.0952298), wk = 0.0034364 k( 281) = ( 0.3333333 0.5773503 0.1088341), wk = 0.0034364 k( 282) = ( 0.3333333 0.5773503 0.1224383), wk = 0.0034364 k( 283) = ( 0.3333333 0.5773503 0.1360426), wk = 0.0034364 k( 284) = ( 0.3333333 0.5773503 0.1496468), wk = 0.0034364 k( 285) = ( 0.3333333 0.5773503 0.1632511), wk = 0.0034364 k( 286) = ( 0.3333333 0.5773503 0.1768554), wk = 0.0034364 k( 287) = ( 0.3333333 0.5773503 0.1904596), wk = 0.0034364 k( 288) = ( 0.3333333 0.5773503 0.2040639), wk = 0.0034364 k( 289) = ( 0.3333333 0.5773503 0.2176681), wk = 0.0034364 k( 290) = ( 0.3333333 0.5773503 0.2312724), wk = 0.0034364 k( 291) = ( 0.3333333 0.5773503 0.2448766), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0034364 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0034364 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0034364 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0034364 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0034364 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0034364 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0034364 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0034364 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0034364 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0034364 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0034364 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0034364 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0034364 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0034364 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0034364 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0034364 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0034364 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0034364 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0034364 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0034364 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034364 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0034364 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0034364 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0034364 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0034364 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0034364 k( 28) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0034364 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034364 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0034364 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0034364 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0034364 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0034364 k( 34) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0034364 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0034364 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0034364 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0034364 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0034364 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0034364 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0034364 k( 47) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0034364 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0034364 k( 49) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0034364 k( 50) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0034364 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0034364 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0034364 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0034364 k( 54) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0034364 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0034364 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034364 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0034364 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0034364 k( 59) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0034364 k( 60) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0034364 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0034364 k( 62) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0034364 k( 63) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0034364 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0034364 k( 65) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0034364 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0034364 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0034364 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034364 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034364 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0034364 k( 71) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0034364 k( 72) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0034364 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0034364 k( 74) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0034364 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0034364 k( 76) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0034364 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034364 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0034364 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0034364 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0034364 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034364 k( 82) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0034364 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0034364 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0034364 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034364 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0034364 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0034364 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0034364 k( 89) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0034364 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0034364 k( 91) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0034364 k( 92) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0034364 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034364 k( 94) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0034364 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0034364 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0034364 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034364 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0034364 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0034364 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0034364 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034364 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0034364 k( 103) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0034364 k( 104) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0034364 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034364 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0034364 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0034364 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0034364 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034364 k( 110) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0034364 k( 111) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0034364 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0034364 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034364 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0034364 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0034364 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0034364 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 119) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0034364 k( 120) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034364 k( 121) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034364 k( 122) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034364 k( 123) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0034364 k( 124) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034364 k( 125) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0034364 k( 126) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034364 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034364 k( 128) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034364 k( 129) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0034364 k( 130) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034364 k( 131) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034364 k( 133) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034364 k( 134) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034364 k( 135) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0034364 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 138) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0034364 k( 139) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0034364 k( 140) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0034364 k( 141) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0034364 k( 142) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0034364 k( 143) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0034364 k( 144) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0034364 k( 145) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0034364 k( 146) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0034364 k( 147) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0034364 k( 148) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0034364 k( 149) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0034364 k( 150) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0034364 k( 151) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0034364 k( 152) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0034364 k( 153) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0034364 k( 154) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0034364 k( 155) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0034364 k( 156) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0034364 k( 157) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0034364 k( 158) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034364 k( 159) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0034364 k( 160) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0034364 k( 161) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0034364 k( 162) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0034364 k( 163) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0034364 k( 164) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0034364 k( 165) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034364 k( 166) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0034364 k( 167) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0034364 k( 168) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0034364 k( 169) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0034364 k( 170) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0034364 k( 171) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0034364 k( 172) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0034364 k( 173) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0034364 k( 174) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0034364 k( 175) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0034364 k( 176) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0034364 k( 177) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0034364 k( 178) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0034364 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 181) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0034364 k( 182) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0034364 k( 183) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0034364 k( 184) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0034364 k( 185) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0034364 k( 186) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034364 k( 187) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0034364 k( 188) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034364 k( 189) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0034364 k( 190) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0034364 k( 191) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0034364 k( 192) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034364 k( 193) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0034364 k( 194) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0034364 k( 195) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0034364 k( 196) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034364 k( 197) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0034364 k( 198) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034364 k( 199) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0034364 k( 200) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0034364 k( 201) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0034364 k( 202) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0034364 k( 203) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0034364 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034364 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034364 k( 206) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0034364 k( 207) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0034364 k( 208) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0034364 k( 209) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0034364 k( 210) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0034364 k( 211) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0034364 k( 212) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0034364 k( 213) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0034364 k( 214) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0034364 k( 215) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0034364 k( 216) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0034364 k( 217) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034364 k( 218) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0034364 k( 219) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0034364 k( 220) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0034364 k( 221) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034364 k( 222) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0034364 k( 223) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0034364 k( 224) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0034364 k( 225) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0034364 k( 226) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0034364 k( 227) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0034364 k( 228) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0034364 k( 229) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034364 k( 230) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0034364 k( 231) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0034364 k( 232) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0034364 k( 233) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0034364 k( 234) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0034364 k( 235) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0034364 k( 236) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0034364 k( 237) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034364 k( 238) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0034364 k( 239) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0034364 k( 240) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0034364 k( 241) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0034364 k( 242) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0034364 k( 243) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0034364 k( 244) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0034364 k( 245) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0034364 k( 246) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0034364 k( 247) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0034364 k( 248) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0034364 k( 249) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0034364 k( 250) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0034364 k( 251) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0034364 k( 252) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0034364 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 255) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0034364 k( 256) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0034364 k( 257) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0034364 k( 258) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0034364 k( 259) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0034364 k( 260) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034364 k( 261) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0034364 k( 262) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0034364 k( 263) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034364 k( 264) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0034364 k( 265) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0034364 k( 266) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034364 k( 267) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0034364 k( 268) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0034364 k( 269) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0034364 k( 270) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0034364 k( 271) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0034364 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 273) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034364 k( 274) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0034364 k( 275) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0034364 k( 276) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034364 k( 277) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0034364 k( 278) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0034364 k( 279) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034364 k( 280) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0034364 k( 281) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0034364 k( 282) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034364 k( 283) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0034364 k( 284) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0034364 k( 285) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034364 k( 286) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0034364 k( 287) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0034364 k( 288) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034364 k( 289) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0034364 k( 290) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0034364 k( 291) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034364 Dense grid: 150411 G-vectors FFT dimensions: ( 60, 60, 120) Smooth grid: 37499 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 276, 62) NL pseudopotentials 0.43 Mb ( 138, 206) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.03 Mb ( 4178) G-vector shells 0.02 Mb ( 1991) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 276, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) The potential is recalculated from file : ./BaPAu.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 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.5 secs Computing kpt #: 9 total cpu time spent up to now is 11.8 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.8 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 15.7 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.3 secs Computing kpt #: 14 total cpu time spent up to now is 19.5 secs Computing kpt #: 15 total cpu time spent up to now is 20.7 secs Computing kpt #: 16 total cpu time spent up to now is 21.8 secs Computing kpt #: 17 total cpu time spent up to now is 23.1 secs Computing kpt #: 18 total cpu time spent up to now is 24.1 secs Computing kpt #: 19 total cpu time spent up to now is 25.1 secs Computing kpt #: 20 total cpu time spent up to now is 26.0 secs Computing kpt #: 21 total cpu time spent up to now is 26.8 secs Computing kpt #: 22 total cpu time spent up to now is 27.6 secs Computing kpt #: 23 total cpu time spent up to now is 28.4 secs Computing kpt #: 24 total cpu time spent up to now is 29.1 secs Computing kpt #: 25 total cpu time spent up to now is 29.9 secs Computing kpt #: 26 total cpu time spent up to now is 30.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.4 secs Computing kpt #: 28 total cpu time spent up to now is 32.2 secs Computing kpt #: 29 total cpu time spent up to now is 33.0 secs Computing kpt #: 30 total cpu time spent up to now is 33.8 secs Computing kpt #: 31 total cpu time spent up to now is 34.5 secs Computing kpt #: 32 total cpu time spent up to now is 35.3 secs Computing kpt #: 33 total cpu time spent up to now is 36.1 secs Computing kpt #: 34 total cpu time spent up to now is 36.9 secs Computing kpt #: 35 total cpu time spent up to now is 37.6 secs Computing kpt #: 36 total cpu time spent up to now is 38.4 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 39.8 secs Computing kpt #: 39 total cpu time spent up to now is 40.6 secs Computing kpt #: 40 total cpu time spent up to now is 41.3 secs Computing kpt #: 41 total cpu time spent up to now is 42.0 secs Computing kpt #: 42 total cpu time spent up to now is 42.8 secs Computing kpt #: 43 total cpu time spent up to now is 43.5 secs Computing kpt #: 44 total cpu time spent up to now is 44.2 secs Computing kpt #: 45 total cpu time spent up to now is 45.0 secs Computing kpt #: 46 total cpu time spent up to now is 45.7 secs Computing kpt #: 47 total cpu time spent up to now is 46.4 secs Computing kpt #: 48 total cpu time spent up to now is 47.2 secs Computing kpt #: 49 total cpu time spent up to now is 47.9 secs Computing kpt #: 50 total cpu time spent up to now is 48.6 secs Computing kpt #: 51 total cpu time spent up to now is 49.4 secs Computing kpt #: 52 total cpu time spent up to now is 50.1 secs Computing kpt #: 53 total cpu time spent up to now is 50.9 secs Computing kpt #: 54 total cpu time spent up to now is 51.6 secs Computing kpt #: 55 total cpu time spent up to now is 52.4 secs Computing kpt #: 56 total cpu time spent up to now is 53.2 secs Computing kpt #: 57 total cpu time spent up to now is 54.0 secs Computing kpt #: 58 total cpu time spent up to now is 54.8 secs Computing kpt #: 59 total cpu time spent up to now is 56.0 secs Computing kpt #: 60 total cpu time spent up to now is 57.0 secs Computing kpt #: 61 total cpu time spent up to now is 57.9 secs Computing kpt #: 62 total cpu time spent up to now is 58.8 secs Computing kpt #: 63 total cpu time spent up to now is 59.7 secs Computing kpt #: 64 total cpu time spent up to now is 60.5 secs Computing kpt #: 65 total cpu time spent up to now is 61.3 secs Computing kpt #: 66 total cpu time spent up to now is 62.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.0 secs Computing kpt #: 68 total cpu time spent up to now is 63.8 secs Computing kpt #: 69 total cpu time spent up to now is 64.7 secs Computing kpt #: 70 total cpu time spent up to now is 65.5 secs Computing kpt #: 71 total cpu time spent up to now is 66.4 secs Computing kpt #: 72 total cpu time spent up to now is 67.2 secs Computing kpt #: 73 total cpu time spent up to now is 67.9 secs Computing kpt #: 74 total cpu time spent up to now is 68.7 secs Computing kpt #: 75 total cpu time spent up to now is 69.5 secs Computing kpt #: 76 total cpu time spent up to now is 70.2 secs Computing kpt #: 77 total cpu time spent up to now is 71.0 secs Computing kpt #: 78 total cpu time spent up to now is 71.7 secs Computing kpt #: 79 total cpu time spent up to now is 72.4 secs Computing kpt #: 80 total cpu time spent up to now is 73.1 secs Computing kpt #: 81 total cpu time spent up to now is 73.7 secs Computing kpt #: 82 total cpu time spent up to now is 74.4 secs Computing kpt #: 83 total cpu time spent up to now is 75.1 secs Computing kpt #: 84 total cpu time spent up to now is 75.7 secs Computing kpt #: 85 total cpu time spent up to now is 76.4 secs Computing kpt #: 86 total cpu time spent up to now is 77.0 secs Computing kpt #: 87 total cpu time spent up to now is 77.7 secs Computing kpt #: 88 total cpu time spent up to now is 78.4 secs Computing kpt #: 89 total cpu time spent up to now is 79.0 secs Computing kpt #: 90 total cpu time spent up to now is 79.7 secs Computing kpt #: 91 total cpu time spent up to now is 80.4 secs Computing kpt #: 92 total cpu time spent up to now is 81.2 secs Computing kpt #: 93 total cpu time spent up to now is 81.9 secs Computing kpt #: 94 total cpu time spent up to now is 82.7 secs Computing kpt #: 95 total cpu time spent up to now is 83.5 secs Computing kpt #: 96 total cpu time spent up to now is 84.3 secs Computing kpt #: 97 total cpu time spent up to now is 85.1 secs Computing kpt #: 98 total cpu time spent up to now is 86.0 secs Computing kpt #: 99 total cpu time spent up to now is 86.8 secs Computing kpt #: 100 total cpu time spent up to now is 87.8 secs Computing kpt #: 101 total cpu time spent up to now is 89.0 secs Computing kpt #: 102 total cpu time spent up to now is 90.0 secs Computing kpt #: 103 total cpu time spent up to now is 91.0 secs Computing kpt #: 104 total cpu time spent up to now is 92.2 secs Computing kpt #: 105 total cpu time spent up to now is 93.4 secs Computing kpt #: 106 total cpu time spent up to now is 94.5 secs Computing kpt #: 107 total cpu time spent up to now is 95.7 secs Computing kpt #: 108 total cpu time spent up to now is 97.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.5 secs Computing kpt #: 110 total cpu time spent up to now is 100.4 secs Computing kpt #: 111 total cpu time spent up to now is 101.5 secs Computing kpt #: 112 total cpu time spent up to now is 102.4 secs Computing kpt #: 113 total cpu time spent up to now is 103.3 secs Computing kpt #: 114 total cpu time spent up to now is 104.1 secs Computing kpt #: 115 total cpu time spent up to now is 105.0 secs Computing kpt #: 116 total cpu time spent up to now is 105.8 secs Computing kpt #: 117 total cpu time spent up to now is 106.6 secs Computing kpt #: 118 total cpu time spent up to now is 107.5 secs Computing kpt #: 119 total cpu time spent up to now is 108.3 secs Computing kpt #: 120 total cpu time spent up to now is 109.1 secs Computing kpt #: 121 total cpu time spent up to now is 110.0 secs Computing kpt #: 122 total cpu time spent up to now is 110.8 secs Computing kpt #: 123 total cpu time spent up to now is 111.7 secs Computing kpt #: 124 total cpu time spent up to now is 112.6 secs Computing kpt #: 125 total cpu time spent up to now is 113.5 secs Computing kpt #: 126 total cpu time spent up to now is 114.5 secs Computing kpt #: 127 total cpu time spent up to now is 115.4 secs Computing kpt #: 128 total cpu time spent up to now is 116.5 secs Computing kpt #: 129 total cpu time spent up to now is 118.2 secs Computing kpt #: 130 total cpu time spent up to now is 119.0 secs Computing kpt #: 131 total cpu time spent up to now is 119.8 secs Computing kpt #: 132 total cpu time spent up to now is 120.9 secs Computing kpt #: 133 total cpu time spent up to now is 121.9 secs Computing kpt #: 134 total cpu time spent up to now is 123.0 secs Computing kpt #: 135 total cpu time spent up to now is 124.2 secs Computing kpt #: 136 total cpu time spent up to now is 125.2 secs Computing kpt #: 137 total cpu time spent up to now is 126.2 secs Computing kpt #: 138 total cpu time spent up to now is 127.2 secs Computing kpt #: 139 total cpu time spent up to now is 128.2 secs Computing kpt #: 140 total cpu time spent up to now is 129.3 secs Computing kpt #: 141 total cpu time spent up to now is 130.3 secs Computing kpt #: 142 total cpu time spent up to now is 131.4 secs Computing kpt #: 143 total cpu time spent up to now is 132.7 secs Computing kpt #: 144 total cpu time spent up to now is 133.7 secs Computing kpt #: 145 total cpu time spent up to now is 134.8 secs Computing kpt #: 146 total cpu time spent up to now is 135.6 secs Computing kpt #: 147 total cpu time spent up to now is 136.5 secs Computing kpt #: 148 total cpu time spent up to now is 137.3 secs Computing kpt #: 149 total cpu time spent up to now is 138.1 secs Computing kpt #: 150 total cpu time spent up to now is 139.0 secs Computing kpt #: 151 total cpu time spent up to now is 139.8 secs Computing kpt #: 152 total cpu time spent up to now is 140.6 secs Computing kpt #: 153 total cpu time spent up to now is 141.4 secs Computing kpt #: 154 total cpu time spent up to now is 142.2 secs Computing kpt #: 155 total cpu time spent up to now is 143.0 secs Computing kpt #: 156 total cpu time spent up to now is 143.8 secs Computing kpt #: 157 total cpu time spent up to now is 144.6 secs Computing kpt #: 158 total cpu time spent up to now is 145.4 secs Computing kpt #: 159 total cpu time spent up to now is 146.2 secs Computing kpt #: 160 total cpu time spent up to now is 147.0 secs Computing kpt #: 161 total cpu time spent up to now is 147.7 secs Computing kpt #: 162 total cpu time spent up to now is 148.6 secs Computing kpt #: 163 total cpu time spent up to now is 149.4 secs Computing kpt #: 164 total cpu time spent up to now is 150.3 secs Computing kpt #: 165 total cpu time spent up to now is 151.1 secs Computing kpt #: 166 total cpu time spent up to now is 152.0 secs Computing kpt #: 167 total cpu time spent up to now is 152.9 secs Computing kpt #: 168 total cpu time spent up to now is 153.8 secs Computing kpt #: 169 total cpu time spent up to now is 154.7 secs Computing kpt #: 170 total cpu time spent up to now is 155.6 secs Computing kpt #: 171 total cpu time spent up to now is 156.5 secs Computing kpt #: 172 total cpu time spent up to now is 157.4 secs Computing kpt #: 173 total cpu time spent up to now is 158.3 secs Computing kpt #: 174 total cpu time spent up to now is 159.1 secs Computing kpt #: 175 total cpu time spent up to now is 160.0 secs Computing kpt #: 176 total cpu time spent up to now is 160.9 secs Computing kpt #: 177 total cpu time spent up to now is 161.7 secs Computing kpt #: 178 total cpu time spent up to now is 162.6 secs Computing kpt #: 179 total cpu time spent up to now is 163.4 secs Computing kpt #: 180 total cpu time spent up to now is 164.2 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.2 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.1 secs Computing kpt #: 184 total cpu time spent up to now is 171.7 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.5 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.4 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.3 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.9 secs Computing kpt #: 190 total cpu time spent up to now is 182.6 secs Computing kpt #: 191 total cpu time spent up to now is 183.4 secs Computing kpt #: 192 total cpu time spent up to now is 184.2 secs Computing kpt #: 193 total cpu time spent up to now is 185.0 secs Computing kpt #: 194 total cpu time spent up to now is 185.8 secs Computing kpt #: 195 total cpu time spent up to now is 186.6 secs Computing kpt #: 196 total cpu time spent up to now is 187.4 secs Computing kpt #: 197 total cpu time spent up to now is 188.2 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.2 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.2 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.1 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.0 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.9 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.8 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.7 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.7 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.6 secs Computing kpt #: 207 total cpu time spent up to now is 206.6 secs Computing kpt #: 208 total cpu time spent up to now is 207.5 secs Computing kpt #: 209 total cpu time spent up to now is 208.5 secs Computing kpt #: 210 total cpu time spent up to now is 209.4 secs Computing kpt #: 211 total cpu time spent up to now is 210.7 secs Computing kpt #: 212 total cpu time spent up to now is 211.7 secs Computing kpt #: 213 total cpu time spent up to now is 213.0 secs Computing kpt #: 214 total cpu time spent up to now is 214.4 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.3 secs Computing kpt #: 216 total cpu time spent up to now is 217.3 secs Computing kpt #: 217 total cpu time spent up to now is 218.4 secs Computing kpt #: 218 total cpu time spent up to now is 219.3 secs Computing kpt #: 219 total cpu time spent up to now is 220.1 secs Computing kpt #: 220 total cpu time spent up to now is 220.9 secs Computing kpt #: 221 total cpu time spent up to now is 221.7 secs Computing kpt #: 222 total cpu time spent up to now is 222.5 secs Computing kpt #: 223 total cpu time spent up to now is 223.3 secs Computing kpt #: 224 total cpu time spent up to now is 224.1 secs Computing kpt #: 225 total cpu time spent up to now is 224.9 secs Computing kpt #: 226 total cpu time spent up to now is 225.6 secs Computing kpt #: 227 total cpu time spent up to now is 226.4 secs Computing kpt #: 228 total cpu time spent up to now is 227.2 secs Computing kpt #: 229 total cpu time spent up to now is 228.0 secs Computing kpt #: 230 total cpu time spent up to now is 228.8 secs Computing kpt #: 231 total cpu time spent up to now is 229.6 secs Computing kpt #: 232 total cpu time spent up to now is 230.4 secs Computing kpt #: 233 total cpu time spent up to now is 231.2 secs Computing kpt #: 234 total cpu time spent up to now is 232.0 secs Computing kpt #: 235 total cpu time spent up to now is 232.8 secs Computing kpt #: 236 total cpu time spent up to now is 233.6 secs Computing kpt #: 237 total cpu time spent up to now is 234.5 secs Computing kpt #: 238 total cpu time spent up to now is 235.3 secs Computing kpt #: 239 total cpu time spent up to now is 236.2 secs Computing kpt #: 240 total cpu time spent up to now is 237.1 secs Computing kpt #: 241 total cpu time spent up to now is 238.0 secs Computing kpt #: 242 total cpu time spent up to now is 238.9 secs Computing kpt #: 243 total cpu time spent up to now is 239.8 secs Computing kpt #: 244 total cpu time spent up to now is 241.2 secs Computing kpt #: 245 total cpu time spent up to now is 242.1 secs Computing kpt #: 246 total cpu time spent up to now is 243.9 secs Computing kpt #: 247 total cpu time spent up to now is 245.4 secs Computing kpt #: 248 total cpu time spent up to now is 246.6 secs Computing kpt #: 249 total cpu time spent up to now is 248.1 secs Computing kpt #: 250 total cpu time spent up to now is 250.0 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.9 secs Computing kpt #: 252 total cpu time spent up to now is 253.0 secs Computing kpt #: 253 total cpu time spent up to now is 253.9 secs Computing kpt #: 254 total cpu time spent up to now is 254.7 secs Computing kpt #: 255 total cpu time spent up to now is 256.2 secs Computing kpt #: 256 total cpu time spent up to now is 257.3 secs Computing kpt #: 257 total cpu time spent up to now is 258.2 secs Computing kpt #: 258 total cpu time spent up to now is 259.1 secs Computing kpt #: 259 total cpu time spent up to now is 259.9 secs Computing kpt #: 260 total cpu time spent up to now is 260.8 secs Computing kpt #: 261 total cpu time spent up to now is 261.6 secs Computing kpt #: 262 total cpu time spent up to now is 262.4 secs Computing kpt #: 263 total cpu time spent up to now is 263.2 secs Computing kpt #: 264 total cpu time spent up to now is 264.0 secs Computing kpt #: 265 total cpu time spent up to now is 264.7 secs Computing kpt #: 266 total cpu time spent up to now is 265.5 secs Computing kpt #: 267 total cpu time spent up to now is 266.3 secs Computing kpt #: 268 total cpu time spent up to now is 267.0 secs Computing kpt #: 269 total cpu time spent up to now is 267.7 secs Computing kpt #: 270 total cpu time spent up to now is 268.5 secs Computing kpt #: 271 total cpu time spent up to now is 269.2 secs Computing kpt #: 272 total cpu time spent up to now is 269.9 secs Computing kpt #: 273 total cpu time spent up to now is 270.7 secs Computing kpt #: 274 total cpu time spent up to now is 271.6 secs Computing kpt #: 275 total cpu time spent up to now is 272.4 secs Computing kpt #: 276 total cpu time spent up to now is 273.3 secs Computing kpt #: 277 total cpu time spent up to now is 274.2 secs Computing kpt #: 278 total cpu time spent up to now is 275.0 secs Computing kpt #: 279 total cpu time spent up to now is 275.9 secs Computing kpt #: 280 total cpu time spent up to now is 276.8 secs Computing kpt #: 281 total cpu time spent up to now is 277.7 secs Computing kpt #: 282 total cpu time spent up to now is 278.6 secs Computing kpt #: 283 total cpu time spent up to now is 279.5 secs Computing kpt #: 284 total cpu time spent up to now is 280.4 secs Computing kpt #: 285 total cpu time spent up to now is 281.8 secs Computing kpt #: 286 total cpu time spent up to now is 282.8 secs Computing kpt #: 287 total cpu time spent up to now is 283.8 secs Computing kpt #: 288 total cpu time spent up to now is 284.7 secs Computing kpt #: 289 total cpu time spent up to now is 285.6 secs Computing kpt #: 290 total cpu time spent up to now is 286.5 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.5 secs ethr = 1.92E-08, avg # of iterations = 41.0 total cpu time spent up to now is 288.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4721 PWs) bands (ev): -17.0992 -17.0992 -17.0792 -17.0792 -3.9122 -3.9122 -3.6878 -3.6878 -2.3085 -2.3085 -1.7056 -1.7056 -1.6293 -1.6293 -1.5806 -1.5806 -0.4353 -0.4353 0.7109 0.7109 4.1111 4.1111 4.3040 4.3040 5.0029 5.0029 5.0119 5.0119 5.2334 5.2334 5.2653 5.2653 6.2306 6.2306 6.3186 6.3186 6.5136 6.5136 6.8036 6.8036 7.0087 7.0087 9.1784 9.1784 10.3482 10.3482 10.3657 10.3657 10.4301 10.4301 10.7973 10.7973 11.1216 11.1216 11.1438 11.1438 11.9046 11.9046 12.9771 12.9771 13.0558 13.0558 k = 0.0119 0.0069-0.0000 ( 4729 PWs) bands (ev): -17.0991 -17.0991 -17.0791 -17.0791 -3.9121 -3.9121 -3.6881 -3.6881 -2.3083 -2.3083 -1.7059 -1.7059 -1.6305 -1.6305 -1.5812 -1.5812 -0.4330 -0.4330 0.7101 0.7101 4.1120 4.1120 4.3040 4.3040 5.0032 5.0032 5.0124 5.0124 5.2333 5.2333 5.2652 5.2652 6.2307 6.2307 6.3190 6.3190 6.5110 6.5110 6.8013 6.8013 7.0159 7.0159 9.1776 9.1776 10.3124 10.3124 10.3566 10.3566 10.4135 10.4135 10.8395 10.8395 11.1219 11.1219 11.1457 11.1457 11.9072 11.9072 12.9867 12.9867 13.0631 13.0631 k = 0.0238 0.0137-0.0000 ( 4741 PWs) bands (ev): -17.0990 -17.0990 -17.0790 -17.0790 -3.9117 -3.9117 -3.6889 -3.6889 -2.3077 -2.3077 -1.7070 -1.7070 -1.6339 -1.6339 -1.5828 -1.5828 -0.4264 -0.4264 0.7079 0.7079 4.1147 4.1147 4.3039 4.3039 5.0040 5.0040 5.0139 5.0139 5.2331 5.2331 5.2649 5.2649 6.2311 6.2311 6.3202 6.3202 6.5034 6.5034 6.7955 6.7955 7.0366 7.0366 9.1751 9.1751 10.2136 10.2136 10.3453 10.3453 10.3721 10.3721 10.9355 10.9355 11.1049 11.1049 11.1680 11.1680 11.9149 11.9149 13.0151 13.0151 13.0849 13.0849 k = 0.0357 0.0206-0.0000 ( 4729 PWs) bands (ev): -17.0987 -17.0987 -17.0787 -17.0787 -3.9111 -3.9111 -3.6903 -3.6903 -2.3067 -2.3067 -1.7089 -1.7089 -1.6393 -1.6393 -1.5854 -1.5854 -0.4156 -0.4156 0.7041 0.7041 4.1192 4.1192 4.3038 4.3038 5.0053 5.0053 5.0164 5.0164 5.2328 5.2328 5.2645 5.2645 6.2317 6.2317 6.3222 6.3222 6.4916 6.4916 6.7879 6.7879 7.0679 7.0679 9.1712 9.1712 10.0905 10.0905 10.2872 10.2872 10.3524 10.3524 11.0260 11.0260 11.0969 11.0969 11.2048 11.2048 11.9273 11.9273 13.0606 13.0606 13.1206 13.1206 k = 0.0476 0.0275-0.0000 ( 4723 PWs) bands (ev): -17.0983 -17.0983 -17.0784 -17.0784 -3.9103 -3.9103 -3.6922 -3.6922 -2.3054 -2.3054 -1.7119 -1.7119 -1.6463 -1.6463 -1.5890 -1.5890 -0.4007 -0.4007 0.6990 0.6990 4.1255 4.1255 4.3036 4.3036 5.0072 5.0072 5.0197 5.0197 5.2324 5.2324 5.2642 5.2642 6.2325 6.2325 6.3248 6.3248 6.4764 6.4764 6.7800 6.7800 7.1076 7.1076 9.1659 9.1659 9.9577 9.9577 10.1997 10.1997 10.3433 10.3433 10.9995 10.9995 11.1986 11.1986 11.2494 11.2494 11.9438 11.9438 13.1208 13.1208 13.1700 13.1700 k = 0.0595 0.0344-0.0000 ( 4723 PWs) bands (ev): -17.0978 -17.0978 -17.0779 -17.0779 -3.9093 -3.9093 -3.6946 -3.6946 -2.3036 -2.3036 -1.7165 -1.7165 -1.6541 -1.6541 -1.5936 -1.5936 -0.3819 -0.3819 0.6924 0.6924 4.1336 4.1336 4.3034 4.3034 5.0094 5.0094 5.0237 5.0237 5.2321 5.2321 5.2639 5.2639 6.2335 6.2335 6.3281 6.3281 6.4590 6.4590 6.7725 6.7725 7.1539 7.1539 9.1593 9.1593 9.8201 9.8201 10.0997 10.0997 10.3329 10.3329 10.9394 10.9394 11.2809 11.2809 11.3406 11.3406 11.9639 11.9639 13.1909 13.1909 13.2338 13.2338 k = 0.0714 0.0412-0.0000 ( 4715 PWs) bands (ev): -17.0972 -17.0972 -17.0774 -17.0774 -3.9082 -3.9082 -3.6975 -3.6975 -2.3014 -2.3014 -1.7233 -1.7233 -1.6619 -1.6619 -1.5992 -1.5992 -0.3596 -0.3596 0.6846 0.6846 4.1433 4.1433 4.3032 4.3032 5.0121 5.0121 5.0281 5.0281 5.2319 5.2319 5.2641 5.2641 6.2346 6.2346 6.3318 6.3318 6.4405 6.4405 6.7656 6.7656 7.2055 7.2055 9.1516 9.1516 9.6802 9.6802 9.9916 9.9916 10.3202 10.3202 10.8685 10.8685 11.3237 11.3237 11.4733 11.4733 11.9868 11.9868 13.2036 13.2036 13.2660 13.2660 k = 0.0833 0.0481-0.0000 ( 4719 PWs) bands (ev): -17.0965 -17.0965 -17.0768 -17.0768 -3.9068 -3.9068 -3.7009 -3.7009 -2.2987 -2.2987 -1.7328 -1.7328 -1.6689 -1.6689 -1.6056 -1.6056 -0.3341 -0.3341 0.6755 0.6755 4.1546 4.1546 4.3029 4.3029 5.0151 5.0151 5.0328 5.0328 5.2320 5.2320 5.2648 5.2648 6.2358 6.2358 6.3355 6.3355 6.4218 6.4218 6.7593 6.7593 7.2615 7.2615 9.1431 9.1431 9.5390 9.5390 9.8782 9.8782 10.3051 10.3051 10.7903 10.7903 11.3617 11.3617 11.6090 11.6090 12.0123 12.0123 13.1468 13.1468 13.3423 13.3423 k = 0.0952 0.0550-0.0000 ( 4719 PWs) bands (ev): -17.0957 -17.0957 -17.0761 -17.0761 -3.9054 -3.9054 -3.7049 -3.7049 -2.2957 -2.2957 -1.7451 -1.7451 -1.6746 -1.6746 -1.6129 -1.6129 -0.3057 -0.3057 0.6652 0.6652 4.1676 4.1676 4.3026 4.3026 5.0185 5.0185 5.0375 5.0375 5.2324 5.2324 5.2664 5.2664 6.2370 6.2370 6.3384 6.3384 6.4045 6.4045 6.7534 6.7534 7.3215 7.3215 9.1339 9.1339 9.3973 9.3973 9.7613 9.7613 10.2871 10.2871 10.7069 10.7069 11.3964 11.3964 11.7445 11.7445 12.0401 12.0401 13.0825 13.0825 13.4208 13.4208 k = 0.1071 0.0619-0.0000 ( 4719 PWs) bands (ev): -17.0948 -17.0948 -17.0753 -17.0753 -3.9038 -3.9038 -3.7093 -3.7093 -2.2922 -2.2922 -1.7600 -1.7600 -1.6791 -1.6791 -1.6210 -1.6210 -0.2747 -0.2747 0.6538 0.6538 4.1820 4.1820 4.3023 4.3023 5.0220 5.0220 5.0418 5.0418 5.2333 5.2333 5.2693 5.2693 6.2381 6.2381 6.3383 6.3383 6.3910 6.3910 6.7478 6.7478 7.3848 7.3848 9.1244 9.1244 9.2556 9.2556 9.6420 9.6420 10.2660 10.2660 10.6198 10.6198 11.4281 11.4281 11.8781 11.8781 12.0702 12.0702 13.0118 13.0118 13.5003 13.5007 k = 0.1190 0.0687-0.0000 ( 4715 PWs) bands (ev): -17.0938 -17.0938 -17.0744 -17.0744 -3.9022 -3.9022 -3.7141 -3.7141 -2.2882 -2.2882 -1.7770 -1.7770 -1.6825 -1.6825 -1.6297 -1.6297 -0.2415 -0.2415 0.6414 0.6414 4.1979 4.1979 4.3020 4.3020 5.0256 5.0256 5.0455 5.0455 5.2346 5.2346 5.2737 5.2737 6.2388 6.2388 6.3326 6.3326 6.3844 6.3844 6.7423 6.7423 7.4511 7.4511 9.1127 9.1127 9.1164 9.1164 9.5214 9.5214 10.2413 10.2413 10.5305 10.5305 11.4570 11.4570 12.0061 12.0061 12.1053 12.1053 12.9361 12.9361 13.5383 13.5383 k = 0.1310 0.0756-0.0000 ( 4717 PWs) bands (ev): -17.0927 -17.0927 -17.0735 -17.0735 -3.9005 -3.9005 -3.7194 -3.7194 -2.2838 -2.2838 -1.7955 -1.7955 -1.6853 -1.6853 -1.6390 -1.6390 -0.2063 -0.2063 0.6282 0.6282 4.2150 4.2150 4.3019 4.3019 5.0291 5.0291 5.0485 5.0485 5.2366 5.2366 5.2799 5.2799 6.2390 6.2390 6.3213 6.3213 6.3849 6.3849 6.7370 6.7370 7.5201 7.5201 8.9740 8.9740 9.1050 9.1050 9.4002 9.4002 10.2122 10.2122 10.4407 10.4407 11.4832 11.4832 12.1046 12.1046 12.1679 12.1679 12.8566 12.8566 13.5744 13.5744 k = 0.1429 0.0825-0.0000 ( 4709 PWs) bands (ev): -17.0915 -17.0915 -17.0725 -17.0725 -3.8988 -3.8988 -3.7250 -3.7250 -2.2790 -2.2790 -1.8150 -1.8150 -1.6876 -1.6876 -1.6488 -1.6488 -0.1695 -0.1695 0.6143 0.6143 4.2334 4.2334 4.3019 4.3019 5.0323 5.0323 5.0508 5.0508 5.2390 5.2390 5.2883 5.2883 6.2381 6.2381 6.3078 6.3078 6.3896 6.3896 6.7317 6.7317 7.5915 7.5915 8.8351 8.8351 9.0951 9.0951 9.2793 9.2793 10.1768 10.1768 10.3529 10.3529 11.5068 11.5068 12.1503 12.1503 12.2802 12.2802 12.7746 12.7746 13.6135 13.6135 k = 0.1548 0.0894-0.0000 ( 4707 PWs) bands (ev): -17.0903 -17.0903 -17.0714 -17.0714 -3.8971 -3.8971 -3.7311 -3.7311 -2.2736 -2.2736 -1.8352 -1.8352 -1.6897 -1.6897 -1.6590 -1.6590 -0.1314 -0.1314 0.5997 0.5997 4.2528 4.2528 4.3022 4.3022 5.0347 5.0347 5.0527 5.0527 5.2421 5.2421 5.2988 5.2988 6.2354 6.2354 6.2951 6.2951 6.3963 6.3963 6.7265 6.7265 7.6649 7.6649 8.6979 8.6979 9.0829 9.0829 9.1613 9.1613 10.1314 10.1314 10.2715 10.2715 11.5277 11.5277 12.1855 12.1855 12.3980 12.3980 12.6915 12.6915 13.6554 13.6554 k = 0.1667 0.0962-0.0000 ( 4707 PWs) bands (ev): -17.0890 -17.0890 -17.0703 -17.0703 -3.8954 -3.8954 -3.7375 -3.7375 -2.2679 -2.2679 -1.8558 -1.8558 -1.6918 -1.6918 -1.6693 -1.6693 -0.0922 -0.0922 0.5847 0.5847 4.2726 4.2726 4.3034 4.3034 5.0355 5.0355 5.0548 5.0548 5.2457 5.2457 5.3114 5.3114 6.2300 6.2300 6.2849 6.2849 6.4040 6.4040 6.7213 6.7213 7.7399 7.7399 8.5629 8.5629 9.0250 9.0250 9.0901 9.0901 10.0706 10.0706 10.2023 10.2023 11.5457 11.5457 12.2190 12.2190 12.5075 12.5075 12.6119 12.6119 13.7001 13.7001 k = 0.1786 0.1031-0.0000 ( 4705 PWs) bands (ev): -17.0877 -17.0877 -17.0691 -17.0691 -3.8938 -3.8938 -3.7442 -3.7442 -2.2617 -2.2617 -1.8765 -1.8765 -1.6945 -1.6945 -1.6792 -1.6792 -0.0522 -0.0522 0.5694 0.5694 4.2903 4.2903 4.3080 4.3080 5.0346 5.0346 5.0576 5.0576 5.2499 5.2499 5.3260 5.3260 6.2213 6.2213 6.2783 6.2783 6.4122 6.4122 6.7162 6.7162 7.8163 7.8163 8.4306 8.4306 8.9096 8.9096 9.0780 9.0780 9.9939 9.9939 10.1464 10.1464 11.5605 11.5605 12.2517 12.2517 12.5123 12.5123 12.6311 12.6311 13.7467 13.7467 k = 0.1905 0.1100-0.0000 ( 4709 PWs) bands (ev): -17.0863 -17.0863 -17.0679 -17.0679 -3.8924 -3.8924 -3.7512 -3.7512 -2.2551 -2.2551 -1.8972 -1.8972 -1.6995 -1.6995 -1.6869 -1.6869 -0.0117 -0.0117 0.5540 0.5540 4.2984 4.2984 4.3234 4.3234 5.0319 5.0319 5.0612 5.0612 5.2547 5.2547 5.3423 5.3423 6.2099 6.2099 6.2747 6.2747 6.4205 6.4205 6.7112 6.7112 7.8934 7.8934 8.3014 8.3014 8.7908 8.7908 9.0713 9.0713 9.9073 9.9073 10.0983 10.0983 11.5717 11.5717 12.2818 12.2818 12.4345 12.4345 12.7287 12.7287 13.7911 13.7911 k = 0.2024 0.1168-0.0000 ( 4709 PWs) bands (ev): -17.0848 -17.0848 -17.0667 -17.0667 -3.8910 -3.8910 -3.7584 -3.7584 -2.2481 -2.2481 -1.9176 -1.9176 -1.7080 -1.7080 -1.6910 -1.6910 0.0290 0.0290 0.5386 0.5386 4.3014 4.3014 4.3452 4.3452 5.0278 5.0278 5.0652 5.0652 5.2598 5.2598 5.3602 5.3602 6.1970 6.1970 6.2731 6.2731 6.4286 6.4286 6.7063 6.7063 7.9701 7.9701 8.1765 8.1765 8.6729 8.6729 9.0664 9.0664 9.8164 9.8164 10.0529 10.0529 11.5789 11.5789 12.2958 12.2958 12.3702 12.3702 12.8225 12.8225 13.8046 13.8046 k = 0.2143 0.1237-0.0000 ( 4715 PWs) bands (ev): -17.0834 -17.0834 -17.0654 -17.0654 -3.8899 -3.8899 -3.7659 -3.7659 -2.2407 -2.2407 -1.9377 -1.9377 -1.7184 -1.7184 -1.6932 -1.6932 0.0694 0.0694 0.5235 0.5235 4.3038 4.3038 4.3687 4.3687 5.0228 5.0228 5.0694 5.0694 5.2654 5.2654 5.3794 5.3794 6.1835 6.1835 6.2726 6.2726 6.4365 6.4365 6.7018 6.7018 8.0267 8.0267 8.0748 8.0748 8.5572 8.5572 9.0628 9.0628 9.7240 9.7240 10.0078 10.0078 11.5818 11.5818 12.2447 12.2447 12.3715 12.3715 12.9105 12.9105 13.7984 13.7984 k = 0.2262 0.1306-0.0000 ( 4711 PWs) bands (ev): -17.0819 -17.0819 -17.0641 -17.0641 -3.8888 -3.8888 -3.7735 -3.7735 -2.2330 -2.2330 -1.9574 -1.9574 -1.7294 -1.7294 -1.6947 -1.6947 0.1093 0.1093 0.5091 0.5091 4.3066 4.3066 4.3931 4.3931 5.0172 5.0172 5.0736 5.0736 5.2712 5.2712 5.3995 5.3995 6.1699 6.1699 6.2727 6.2727 6.4438 6.4438 6.6975 6.6975 7.9299 7.9299 8.1272 8.1272 8.4467 8.4467 9.0603 9.0603 9.6316 9.6316 9.9622 9.9622 11.5801 11.5801 12.1669 12.1669 12.4008 12.4008 12.9936 12.9936 13.7884 13.7884 k = 0.2381 0.1375-0.0000 ( 4717 PWs) bands (ev): -17.0804 -17.0804 -17.0628 -17.0628 -3.8880 -3.8880 -3.7812 -3.7812 -2.2251 -2.2251 -1.9765 -1.9765 -1.7404 -1.7404 -1.6959 -1.6959 0.1481 0.1481 0.4958 0.4958 4.3101 4.3101 4.4179 4.4179 5.0112 5.0112 5.0778 5.0778 5.2771 5.2771 5.4204 5.4204 6.1567 6.1567 6.2730 6.2730 6.4503 6.4503 6.6937 6.6937 7.8176 7.8176 8.1819 8.1819 8.3556 8.3556 9.0589 9.0589 9.5400 9.5400 9.9158 9.9158 11.5737 11.5737 12.0867 12.0867 12.4346 12.4346 13.0733 13.0733 13.7765 13.7765 k = 0.2500 0.1443-0.0000 ( 4715 PWs) bands (ev): -17.0788 -17.0788 -17.0614 -17.0614 -3.8874 -3.8874 -3.7890 -3.7890 -2.2171 -2.2171 -1.9950 -1.9950 -1.7512 -1.7512 -1.6970 -1.6970 0.1851 0.1851 0.4842 0.4842 4.3144 4.3144 4.4429 4.4429 5.0050 5.0050 5.0817 5.0817 5.2829 5.2829 5.4419 5.4419 6.1439 6.1439 6.2735 6.2735 6.4560 6.4560 6.6904 6.6904 7.7093 7.7093 8.1571 8.1571 8.3465 8.3465 9.0581 9.0581 9.4500 9.4500 9.8686 9.8686 11.5624 11.5624 12.0072 12.0072 12.4703 12.4703 13.1512 13.1512 13.7637 13.7637 k = 0.2619 0.1512-0.0000 ( 4699 PWs) bands (ev): -17.0773 -17.0773 -17.0601 -17.0601 -3.8869 -3.8869 -3.7969 -3.7969 -2.2089 -2.2089 -2.0128 -2.0128 -1.7617 -1.7617 -1.6979 -1.6979 0.2192 0.2192 0.4753 0.4753 4.3198 4.3198 4.4680 4.4680 4.9989 4.9989 5.0854 5.0854 5.2884 5.2884 5.4636 5.4636 6.1318 6.1318 6.2740 6.2740 6.4605 6.4605 6.6877 6.6877 7.6062 7.6062 8.0641 8.0641 8.4074 8.4074 9.0574 9.0574 9.3625 9.3625 9.8208 9.8208 11.5464 11.5464 11.9292 11.9292 12.5078 12.5078 13.2286 13.2286 13.7507 13.7507 k = 0.2738 0.1581-0.0000 ( 4691 PWs) bands (ev): -17.0758 -17.0758 -17.0588 -17.0588 -3.8866 -3.8866 -3.8047 -3.8047 -2.2007 -2.2007 -2.0298 -2.0298 -1.7719 -1.7719 -1.6987 -1.6987 0.2488 0.2488 0.4704 0.4704 4.3264 4.3264 4.4929 4.4929 4.9930 4.9930 5.0887 5.0887 5.2933 5.2933 5.4854 5.4854 6.1204 6.1204 6.2746 6.2746 6.4639 6.4639 6.6856 6.6856 7.5088 7.5088 7.9590 7.9590 8.4819 8.4819 9.0553 9.0553 9.2793 9.2793 9.7727 9.7727 11.5256 11.5256 11.8534 11.8534 12.5469 12.5469 13.3066 13.3066 13.7386 13.7386 k = 0.2857 0.1650-0.0000 ( 4691 PWs) bands (ev): -17.0743 -17.0743 -17.0575 -17.0575 -3.8866 -3.8866 -3.8125 -3.8125 -2.1927 -2.1927 -2.0460 -2.0460 -1.7815 -1.7815 -1.6995 -1.6995 0.2722 0.2722 0.4715 0.4715 4.3343 4.3343 4.5174 4.5174 4.9876 4.9876 5.0914 5.0914 5.2974 5.2974 5.5071 5.5071 6.1097 6.1097 6.2751 6.2751 6.4661 6.4661 6.6840 6.6840 7.4175 7.4175 7.8528 7.8528 8.5592 8.5592 9.0478 9.0478 9.2046 9.2046 9.7244 9.7244 11.4999 11.4999 11.7805 11.7805 12.5878 12.5878 13.3853 13.3853 13.7284 13.7284 k = 0.2976 0.1718-0.0000 ( 4697 PWs) bands (ev): -17.0728 -17.0728 -17.0562 -17.0562 -3.8867 -3.8867 -3.8202 -3.8202 -2.1849 -2.1849 -2.0612 -2.0612 -1.7905 -1.7905 -1.7002 -1.7002 0.2876 0.2876 0.4800 0.4800 4.3435 4.3435 4.5414 4.5414 4.9828 4.9828 5.0934 5.0934 5.3003 5.3003 5.5287 5.5287 6.0999 6.0999 6.2758 6.2758 6.4671 6.4671 6.6830 6.6830 7.3326 7.3326 7.7478 7.7478 8.6366 8.6366 9.0236 9.0236 9.1499 9.1499 9.6765 9.6765 11.4688 11.4688 11.7116 11.7116 12.6305 12.6305 13.4643 13.4643 13.7218 13.7218 k = 0.3095 0.1787-0.0000 ( 4697 PWs) bands (ev): -17.0713 -17.0713 -17.0549 -17.0549 -3.8870 -3.8870 -3.8277 -3.8277 -2.1775 -2.1775 -2.0754 -2.0754 -1.7989 -1.7989 -1.7009 -1.7009 0.2949 0.2949 0.4961 0.4961 4.3541 4.3541 4.5646 4.5646 4.9790 4.9790 5.0946 5.0946 5.3018 5.3018 5.5499 5.5499 6.0911 6.0911 6.2766 6.2766 6.4669 6.4669 6.6821 6.6821 7.2543 7.2543 7.6452 7.6452 8.7129 8.7129 8.9721 8.9721 9.1264 9.1264 9.6291 9.6291 11.4314 11.4314 11.6482 11.6482 12.6750 12.6750 13.5408 13.5408 13.7218 13.7218 k = 0.3214 0.1856-0.0000 ( 4705 PWs) bands (ev): -17.0699 -17.0699 -17.0537 -17.0537 -3.8874 -3.8874 -3.8351 -3.8351 -2.1708 -2.1708 -2.0884 -2.0884 -1.8065 -1.8065 -1.7015 -1.7015 0.2954 0.2954 0.5181 0.5181 4.3662 4.3662 4.5867 4.5867 4.9762 4.9762 5.0949 5.0949 5.3015 5.3015 5.5708 5.5708 6.0831 6.0831 6.2776 6.2776 6.4657 6.4657 6.6813 6.6813 7.1829 7.1829 7.5458 7.5458 8.7870 8.7870 8.9048 8.9048 9.1232 9.1232 9.5829 9.5829 11.3868 11.3868 11.5918 11.5918 12.7212 12.7212 13.6073 13.6073 13.7357 13.7357 k = 0.3333 0.1925-0.0000 ( 4709 PWs) bands (ev): -17.0686 -17.0686 -17.0525 -17.0525 -3.8880 -3.8880 -3.8422 -3.8422 -2.1651 -2.1651 -2.0999 -2.0999 -1.8134 -1.8134 -1.7020 -1.7020 0.2916 0.2916 0.5438 0.5438 4.3798 4.3798 4.6075 4.6075 4.9747 4.9747 5.0940 5.0940 5.2991 5.2991 5.5913 5.5913 6.0760 6.0760 6.2791 6.2791 6.4636 6.4636 6.6799 6.6799 7.1184 7.1184 7.4502 7.4502 8.8329 8.8329 8.8581 8.8581 9.1293 9.1293 9.5383 9.5383 11.3346 11.3346 11.5432 11.5432 12.7689 12.7689 13.6496 13.6496 13.7768 13.7768 k = 0.3452 0.1993-0.0000 ( 4709 PWs) bands (ev): -17.0673 -17.0673 -17.0514 -17.0514 -3.8887 -3.8887 -3.8490 -3.8490 -2.1609 -2.1609 -2.1094 -2.1094 -1.8194 -1.8194 -1.7025 -1.7025 0.2851 0.2851 0.5712 0.5712 4.3948 4.3948 4.6270 4.6270 4.9748 4.9748 5.0918 5.0918 5.2945 5.2945 5.6115 5.6115 6.0699 6.0699 6.2812 6.2812 6.4609 6.4609 6.6775 6.6775 7.0607 7.0607 7.3592 7.3592 8.7626 8.7626 8.9221 8.9221 9.1424 9.1424 9.4961 9.4961 11.2758 11.2758 11.5021 11.5021 12.8180 12.8180 13.6701 13.6701 13.8402 13.8402 k = 0.3571 0.2062-0.0000 ( 4705 PWs) bands (ev): -17.0661 -17.0661 -17.0503 -17.0503 -3.8895 -3.8895 -3.8555 -3.8555 -2.1591 -2.1591 -2.1163 -2.1163 -1.8245 -1.8245 -1.7029 -1.7029 0.2773 0.2773 0.5988 0.5988 4.4111 4.4111 4.6450 4.6450 4.9765 4.9765 5.0881 5.0881 5.2875 5.2875 5.6315 5.6315 6.0647 6.0647 6.2840 6.2840 6.4578 6.4578 6.6734 6.6734 7.0096 7.0096 7.2737 7.2737 8.6941 8.6941 8.9768 8.9768 9.1636 9.1636 9.4573 9.4573 11.2120 11.2120 11.4671 11.4671 12.8682 12.8682 13.6838 13.6838 13.9070 13.9070 k = 0.3690 0.2131-0.0000 ( 4701 PWs) bands (ev): -17.0649 -17.0649 -17.0493 -17.0493 -3.8903 -3.8903 -3.8616 -3.8616 -2.1604 -2.1604 -2.1197 -2.1197 -1.8289 -1.8289 -1.7033 -1.7033 0.2690 0.2690 0.6260 0.6260 4.4285 4.4285 4.6615 4.6615 4.9801 4.9801 5.0827 5.0827 5.2781 5.2781 5.6514 5.6514 6.0604 6.0604 6.2875 6.2875 6.4543 6.4543 6.6666 6.6666 6.9648 6.9648 7.1950 7.1950 8.6287 8.6287 9.0180 9.0180 9.1938 9.1938 9.4244 9.4244 11.1451 11.1451 11.4369 11.4369 12.9192 12.9192 13.6975 13.6975 13.9651 13.9651 k = 0.3810 0.2199-0.0000 ( 4707 PWs) bands (ev): -17.0638 -17.0638 -17.0484 -17.0484 -3.8912 -3.8912 -3.8674 -3.8674 -2.1644 -2.1644 -2.1202 -2.1202 -1.8324 -1.8324 -1.7036 -1.7036 0.2605 0.2605 0.6519 0.6519 4.4467 4.4467 4.6767 4.6767 4.9854 4.9854 5.0752 5.0752 5.2665 5.2665 5.6713 5.6713 6.0569 6.0569 6.2919 6.2919 6.4507 6.4507 6.6562 6.6562 6.9260 6.9260 7.1243 7.1243 8.5669 8.5669 9.0454 9.0454 9.2274 9.2274 9.4029 9.4029 11.0766 11.0766 11.4105 11.4105 12.9708 12.9708 13.7130 13.7130 14.0064 14.0064 k = 0.3929 0.2268-0.0000 ( 4699 PWs) bands (ev): -17.0628 -17.0628 -17.0475 -17.0475 -3.8921 -3.8921 -3.8727 -3.8727 -2.1699 -2.1699 -2.1190 -2.1190 -1.8351 -1.8351 -1.7039 -1.7039 0.2524 0.2524 0.6763 0.6763 4.4655 4.4655 4.6910 4.6910 4.9925 4.9925 5.0656 5.0656 5.2530 5.2530 5.6913 5.6913 6.0542 6.0542 6.2970 6.2970 6.4468 6.4468 6.6412 6.6412 6.8925 6.8925 7.0632 7.0632 8.5093 8.5093 9.0628 9.0628 9.2484 9.2484 9.4049 9.4049 11.0075 11.0075 11.3872 11.3872 13.0226 13.0226 13.7305 13.7305 14.0271 14.0271 k = 0.4048 0.2337-0.0000 ( 4707 PWs) bands (ev): -17.0619 -17.0619 -17.0467 -17.0467 -3.8930 -3.8930 -3.8775 -3.8775 -2.1758 -2.1758 -2.1171 -2.1171 -1.8372 -1.8372 -1.7042 -1.7042 0.2447 0.2447 0.6988 0.6988 4.4842 4.4842 4.7048 4.7048 5.0011 5.0011 5.0535 5.0535 5.2382 5.2382 5.7113 5.7113 6.0520 6.0520 6.3027 6.3027 6.4426 6.4426 6.6208 6.6208 6.8641 6.8641 7.0128 7.0128 8.4562 8.4562 9.0741 9.0741 9.2461 9.2461 9.4370 9.4370 10.9390 10.9390 11.3667 11.3667 13.0742 13.0742 13.7499 13.7499 14.0288 14.0288 k = 0.4167 0.2406-0.0000 ( 4711 PWs) bands (ev): -17.0611 -17.0611 -17.0460 -17.0460 -3.8939 -3.8939 -3.8819 -3.8819 -2.1815 -2.1815 -2.1151 -2.1151 -1.8387 -1.8387 -1.7044 -1.7044 0.2377 0.2377 0.7191 0.7191 4.5022 4.5022 4.7190 4.7190 5.0109 5.0109 5.0388 5.0388 5.2224 5.2224 5.7314 5.7314 6.0505 6.0505 6.3088 6.3088 6.4379 6.4379 6.5955 6.5955 6.8401 6.8401 6.9735 6.9735 8.4081 8.4081 9.0819 9.0819 9.2300 9.2300 9.4869 9.4869 10.8718 10.8718 11.3488 11.3488 13.1251 13.1251 13.7703 13.7703 14.0160 14.0160 k = 0.4286 0.2474-0.0000 ( 4701 PWs) bands (ev): -17.0604 -17.0604 -17.0454 -17.0454 -3.8946 -3.8946 -3.8857 -3.8857 -2.1867 -2.1867 -2.1132 -2.1132 -1.8397 -1.8397 -1.7046 -1.7046 0.2314 0.2314 0.7371 0.7371 4.5190 4.5190 4.7343 4.7343 5.0176 5.0176 5.0256 5.0256 5.2064 5.2064 5.7512 5.7512 6.0494 6.0494 6.3150 6.3150 6.4321 6.4321 6.5670 6.5670 6.8203 6.8203 6.9444 6.9444 8.3654 8.3654 9.0874 9.0874 9.2102 9.2102 9.5426 9.5426 10.8071 10.8071 11.3333 11.3333 13.1745 13.1745 13.7910 13.7910 13.9939 13.9939 k = 0.4405 0.2543-0.0000 ( 4704 PWs) bands (ev): -17.0597 -17.0597 -17.0448 -17.0448 -3.8954 -3.8954 -3.8889 -3.8889 -2.1913 -2.1913 -2.1116 -2.1116 -1.8402 -1.8402 -1.7047 -1.7047 0.2260 0.2260 0.7525 0.7525 4.5337 4.5337 4.7513 4.7513 4.9998 4.9998 5.0348 5.0348 5.1905 5.1905 5.7704 5.7704 6.0486 6.0486 6.3211 6.3211 6.4247 6.4247 6.5386 6.5386 6.8042 6.8042 6.9240 6.9240 8.3284 8.3284 9.0914 9.0914 9.1911 9.1911 9.5981 9.5981 10.7461 10.7461 11.3203 11.3203 13.2216 13.2216 13.8110 13.8110 13.9665 13.9665 k = 0.4524 0.2612-0.0000 ( 4710 PWs) bands (ev): -17.0592 -17.0592 -17.0444 -17.0444 -3.8960 -3.8960 -3.8916 -3.8916 -2.1950 -2.1950 -2.1104 -2.1104 -1.8406 -1.8406 -1.7049 -1.7049 0.2215 0.2215 0.7654 0.7654 4.5459 4.5459 4.7706 4.7706 4.9771 4.9771 5.0467 5.0467 5.1753 5.1753 5.7883 5.7883 6.0480 6.0480 6.3266 6.3266 6.4146 6.4146 6.5139 6.5139 6.7917 6.7917 6.9100 6.9100 8.2976 8.2976 9.0942 9.0942 9.1743 9.1743 9.6501 9.6501 10.6906 10.6906 11.3096 11.3096 13.2649 13.2649 13.8290 13.8290 13.9375 13.9375 k = 0.4643 0.2681-0.0000 ( 4698 PWs) bands (ev): -17.0588 -17.0588 -17.0440 -17.0440 -3.8965 -3.8965 -3.8937 -3.8937 -2.1980 -2.1980 -2.1095 -2.1095 -1.8407 -1.8407 -1.7050 -1.7050 0.2180 0.2180 0.7754 0.7754 4.5554 4.5554 4.7924 4.7924 4.9522 4.9522 5.0586 5.0586 5.1611 5.1611 5.8040 5.8040 6.0475 6.0475 6.3314 6.3314 6.4021 6.4021 6.4957 6.4957 6.7823 6.7823 6.9009 6.9009 8.2733 8.2733 9.0963 9.0963 9.1608 9.1608 9.6957 9.6957 10.6427 10.6427 11.3013 11.3013 13.3029 13.3029 13.8440 13.8440 13.9099 13.9099 k = 0.4762 0.2749-0.0000 ( 4708 PWs) bands (ev): -17.0585 -17.0585 -17.0438 -17.0438 -3.8970 -3.8970 -3.8951 -3.8951 -2.2001 -2.2001 -2.1088 -2.1088 -1.8407 -1.8407 -1.7050 -1.7050 0.2154 0.2154 0.7827 0.7827 4.5620 4.5620 4.8163 4.8163 4.9258 4.9258 5.0697 5.0697 5.1485 5.1485 5.8165 5.8165 6.0472 6.0472 6.3351 6.3351 6.3891 6.3891 6.4844 6.4844 6.7758 6.7758 6.8951 6.8951 8.2557 8.2557 9.0976 9.0976 9.1508 9.1508 9.7317 9.7317 10.6052 10.6052 11.2954 11.2954 13.3332 13.3332 13.8544 13.8544 13.8878 13.8878 k = 0.4881 0.2818-0.0000 ( 4706 PWs) bands (ev): -17.0584 -17.0584 -17.0436 -17.0436 -3.8974 -3.8974 -3.8959 -3.8959 -2.2014 -2.2014 -2.1084 -2.1084 -1.8407 -1.8407 -1.7051 -1.7051 0.2139 0.2139 0.7871 0.7871 4.5659 4.5659 4.8418 4.8418 4.8988 4.8988 5.0786 5.0786 5.1388 5.1388 5.8246 5.8246 6.0470 6.0470 6.3376 6.3376 6.3793 6.3793 6.4786 6.4786 6.7719 6.7719 6.8920 6.8920 8.2450 8.2450 9.0984 9.0984 9.1448 9.1448 9.7550 9.7550 10.5810 10.5810 11.2919 11.2919 13.3530 13.3530 13.8574 13.8574 13.8762 13.8762 k = 0.5000 0.2887-0.0000 ( 4714 PWs) bands (ev): -17.0583 -17.0583 -17.0436 -17.0436 -3.8975 -3.8975 -3.8961 -3.8961 -2.2019 -2.2019 -2.1083 -2.1083 -1.8407 -1.8407 -1.7051 -1.7051 0.2133 0.2133 0.7885 0.7885 4.5672 4.5672 4.8622 4.8622 4.8779 4.8779 5.0822 5.0822 5.1349 5.1349 5.8274 5.8274 6.0469 6.0469 6.3385 6.3385 6.3757 6.3757 6.4768 6.4768 6.7707 6.7707 6.8910 6.8910 8.2415 8.2415 9.0986 9.0986 9.1427 9.1427 9.7631 9.7631 10.5726 10.5726 11.2907 11.2907 13.3599 13.3599 13.8558 13.8558 13.8746 13.8746 k = 0.5000 0.2887-0.0000 ( 4714 PWs) bands (ev): -17.0583 -17.0583 -17.0436 -17.0436 -3.8975 -3.8975 -3.8961 -3.8961 -2.2019 -2.2019 -2.1083 -2.1083 -1.8407 -1.8407 -1.7051 -1.7051 0.2133 0.2133 0.7885 0.7885 4.5672 4.5672 4.8622 4.8622 4.8779 4.8779 5.0822 5.0822 5.1349 5.1349 5.8274 5.8274 6.0469 6.0469 6.3385 6.3385 6.3757 6.3757 6.4768 6.4768 6.7707 6.7707 6.8910 6.8910 8.2415 8.2415 9.0986 9.0986 9.1427 9.1427 9.7631 9.7631 10.5726 10.5726 11.2907 11.2907 13.3599 13.3599 13.8558 13.8558 13.8746 13.8746 k = 0.4931 0.3007-0.0000 ( 4702 PWs) bands (ev): -17.0583 -17.0583 -17.0436 -17.0436 -3.8975 -3.8975 -3.8961 -3.8961 -2.2018 -2.2018 -2.1080 -2.1080 -1.8411 -1.8411 -1.7057 -1.7057 0.2143 0.2143 0.7882 0.7882 4.5673 4.5673 4.8617 4.8617 4.8765 4.8765 5.0850 5.0850 5.1357 5.1357 5.8257 5.8257 6.0476 6.0476 6.3363 6.3363 6.3771 6.3771 6.4778 6.4778 6.7716 6.7716 6.8898 6.8898 8.2419 8.2419 9.0995 9.0995 9.1336 9.1336 9.7619 9.7619 10.5756 10.5756 11.2992 11.2992 13.3605 13.3605 13.8562 13.8562 13.8636 13.8636 k = 0.4861 0.3127-0.0000 ( 4702 PWs) bands (ev): -17.0582 -17.0582 -17.0435 -17.0435 -3.8975 -3.8975 -3.8961 -3.8961 -2.2016 -2.2016 -2.1073 -2.1073 -1.8424 -1.8424 -1.7074 -1.7074 0.2171 0.2171 0.7873 0.7873 4.5675 4.5675 4.8598 4.8598 4.8727 4.8727 5.0929 5.0929 5.1384 5.1384 5.8207 5.8207 6.0496 6.0496 6.3305 6.3305 6.3806 6.3806 6.4809 6.4809 6.7744 6.7744 6.8860 6.8860 8.2432 8.2432 9.1009 9.1009 9.1081 9.1081 9.7585 9.7585 10.5843 10.5843 11.3244 11.3244 13.3622 13.3622 13.8138 13.8138 13.8770 13.8770 k = 0.4792 0.3248-0.0000 ( 4698 PWs) bands (ev): -17.0581 -17.0581 -17.0434 -17.0434 -3.8975 -3.8975 -3.8961 -3.8961 -2.2012 -2.2012 -2.1060 -2.1060 -1.8446 -1.8446 -1.7102 -1.7102 0.2217 0.2217 0.7857 0.7857 4.5679 4.5679 4.8555 4.8555 4.8682 4.8682 5.1052 5.1052 5.1429 5.1429 5.8127 5.8127 6.0527 6.0527 6.3226 6.3226 6.3848 6.3848 6.4859 6.4859 6.7791 6.7791 6.8800 6.8800 8.2450 8.2450 9.0626 9.0626 9.1077 9.1077 9.7531 9.7531 10.5988 10.5988 11.3648 11.3648 13.3647 13.3647 13.7477 13.7477 13.9023 13.9023 k = 0.4722 0.3368-0.0000 ( 4686 PWs) bands (ev): -17.0580 -17.0580 -17.0433 -17.0433 -3.8974 -3.8974 -3.8960 -3.8960 -2.2008 -2.2008 -2.1043 -2.1043 -1.8476 -1.8476 -1.7140 -1.7140 0.2282 0.2282 0.7835 0.7835 4.5685 4.5685 4.8480 4.8480 4.8645 4.8645 5.1205 5.1205 5.1500 5.1500 5.8019 5.8019 6.0567 6.0567 6.3136 6.3136 6.3890 6.3890 6.4927 6.4927 6.7854 6.7854 6.8719 6.8719 8.2470 8.2470 9.0050 9.0050 9.1143 9.1143 9.7460 9.7460 10.6188 10.6188 11.4184 11.4184 13.3670 13.3670 13.6671 13.6671 13.9374 13.9374 k = 0.4653 0.3488-0.0000 ( 4680 PWs) bands (ev): -17.0578 -17.0578 -17.0432 -17.0432 -3.8974 -3.8974 -3.8959 -3.8959 -2.2002 -2.2002 -2.1021 -2.1021 -1.8514 -1.8514 -1.7188 -1.7188 0.2364 0.2364 0.7806 0.7806 4.5692 4.5692 4.8377 4.8377 4.8618 4.8618 5.1363 5.1363 5.1615 5.1615 5.7886 5.7886 6.0613 6.0613 6.3039 6.3039 6.3930 6.3930 6.5010 6.5010 6.7933 6.7933 6.8621 6.8621 8.2484 8.2484 8.9354 8.9354 9.1228 9.1228 9.7376 9.7376 10.6443 10.6443 11.4828 11.4828 13.3670 13.3670 13.5791 13.5791 13.9819 13.9819 k = 0.4583 0.3608-0.0000 ( 4674 PWs) bands (ev): -17.0576 -17.0576 -17.0430 -17.0430 -3.8974 -3.8974 -3.8959 -3.8959 -2.1995 -2.1995 -2.0994 -2.0994 -1.8560 -1.8560 -1.7245 -1.7245 0.2463 0.2463 0.7770 0.7770 4.5702 4.5702 4.8258 4.8258 4.8596 4.8596 5.1496 5.1496 5.1796 5.1796 5.7734 5.7734 6.0663 6.0663 6.2939 6.2939 6.3969 6.3969 6.5105 6.5105 6.8021 6.8021 6.8514 6.8514 8.2485 8.2485 8.8569 8.8569 9.1331 9.1331 9.7281 9.7281 10.6749 10.6749 11.5561 11.5561 13.3573 13.3573 13.4944 13.4944 14.0353 14.0353 k = 0.4514 0.3729-0.0000 ( 4674 PWs) bands (ev): -17.0574 -17.0574 -17.0428 -17.0428 -3.8974 -3.8974 -3.8958 -3.8958 -2.1988 -2.1988 -2.0962 -2.0962 -1.8612 -1.8612 -1.7309 -1.7309 0.2577 0.2577 0.7727 0.7727 4.5715 4.5715 4.8127 4.8127 4.8575 4.8575 5.1608 5.1608 5.2035 5.2035 5.7564 5.7564 6.0713 6.0713 6.2838 6.2838 6.4009 6.4009 6.5209 6.5209 6.8100 6.8100 6.8418 6.8418 8.2460 8.2460 8.7724 8.7724 9.1451 9.1451 9.7175 9.7175 10.7105 10.7105 11.6361 11.6361 13.3141 13.3141 13.4388 13.4388 14.0972 14.0972 k = 0.4444 0.3849-0.0000 ( 4666 PWs) bands (ev): -17.0572 -17.0572 -17.0426 -17.0426 -3.8974 -3.8974 -3.8957 -3.8957 -2.1980 -2.1980 -2.0927 -2.0927 -1.8671 -1.8671 -1.7379 -1.7379 0.2706 0.2706 0.7677 0.7677 4.5731 4.5731 4.7990 4.7990 4.8555 4.8555 5.1715 5.1715 5.2309 5.2309 5.7381 5.7381 6.0761 6.0761 6.2737 6.2737 6.4053 6.4053 6.5321 6.5321 6.8103 6.8103 6.8403 6.8403 8.2391 8.2391 8.6856 8.6856 9.1587 9.1587 9.7061 9.7061 10.7509 10.7509 11.7212 11.7212 13.2293 13.2293 13.4214 13.4214 14.1667 14.1667 k = 0.4375 0.3969-0.0000 ( 4666 PWs) bands (ev): -17.0569 -17.0569 -17.0423 -17.0423 -3.8975 -3.8975 -3.8956 -3.8956 -2.1971 -2.1971 -2.0887 -2.0887 -1.8736 -1.8736 -1.7454 -1.7454 0.2850 0.2850 0.7619 0.7619 4.5750 4.5750 4.7847 4.7847 4.8536 4.8536 5.1825 5.1825 5.2606 5.2606 5.7189 5.7189 6.0806 6.0806 6.2638 6.2638 6.4103 6.4103 6.5439 6.5439 6.8002 6.8002 6.8498 6.8498 8.2246 8.2246 8.6007 8.6007 9.1739 9.1739 9.6940 9.6940 10.7957 10.7957 11.8101 11.8101 13.1293 13.1293 13.4161 13.4161 14.2430 14.2430 k = 0.4306 0.4090-0.0000 ( 4674 PWs) bands (ev): -17.0566 -17.0566 -17.0421 -17.0421 -3.8975 -3.8975 -3.8956 -3.8956 -2.1963 -2.1963 -2.0843 -2.0843 -1.8806 -1.8806 -1.7533 -1.7533 0.3005 0.3005 0.7554 0.7554 4.5774 4.5774 4.7703 4.7703 4.8518 4.8518 5.1941 5.1941 5.2918 5.2918 5.6989 5.6989 6.0845 6.0845 6.2542 6.2542 6.4162 6.4162 6.5560 6.5560 6.7864 6.7864 6.8637 6.8637 8.1981 8.1981 8.5236 8.5236 9.1906 9.1906 9.6813 9.6813 10.8448 10.8448 11.9018 11.9018 13.0251 13.0251 13.4121 13.4121 14.3253 14.3253 k = 0.4236 0.4210-0.0000 ( 4682 PWs) bands (ev): -17.0563 -17.0563 -17.0418 -17.0418 -3.8976 -3.8976 -3.8955 -3.8955 -2.1955 -2.1955 -2.0795 -2.0795 -1.8880 -1.8880 -1.7613 -1.7613 0.3172 0.3172 0.7481 0.7481 4.5802 4.5802 4.7558 4.7558 4.8499 4.8499 5.2063 5.2063 5.3241 5.3241 5.6784 5.6784 6.0876 6.0876 6.2449 6.2449 6.4232 6.4232 6.5685 6.5685 6.7717 6.7717 6.8794 6.8794 8.1539 8.1539 8.4610 8.4610 9.2085 9.2085 9.6680 9.6680 10.8978 10.8978 11.9953 11.9953 12.9202 12.9202 13.4058 13.4058 14.4123 14.4123 k = 0.4167 0.4330-0.0000 ( 4682 PWs) bands (ev): -17.0559 -17.0559 -17.0415 -17.0415 -3.8977 -3.8977 -3.8955 -3.8955 -2.1947 -2.1947 -2.0744 -2.0744 -1.8958 -1.8958 -1.7694 -1.7694 0.3349 0.3349 0.7400 0.7400 4.5835 4.5835 4.7415 4.7415 4.8480 4.8480 5.2190 5.2190 5.3570 5.3570 5.6579 5.6579 6.0898 6.0898 6.2360 6.2360 6.4316 6.4316 6.5812 6.5812 6.7568 6.7568 6.8960 6.8960 8.0900 8.0900 8.4158 8.4158 9.2275 9.2275 9.6543 9.6543 10.9543 10.9543 12.0900 12.0900 12.8158 12.8158 13.3958 13.3958 14.5025 14.5025 k = 0.4097 0.4450-0.0000 ( 4670 PWs) bands (ev): -17.0556 -17.0556 -17.0412 -17.0412 -3.8978 -3.8978 -3.8956 -3.8956 -2.1939 -2.1939 -2.0690 -2.0690 -1.9038 -1.9038 -1.7773 -1.7773 0.3533 0.3533 0.7311 0.7311 4.5873 4.5873 4.7276 4.7276 4.8458 4.8458 5.2322 5.2322 5.3899 5.3899 5.6375 5.6375 6.0909 6.0909 6.2277 6.2277 6.4415 6.4415 6.5942 6.5942 6.7423 6.7423 6.9131 6.9131 8.0106 8.0106 8.3851 8.3851 9.2476 9.2476 9.6403 9.6403 11.0140 11.0140 12.1853 12.1853 12.7128 12.7128 13.3816 13.3816 14.5936 14.5936 k = 0.4028 0.4571-0.0000 ( 4674 PWs) bands (ev): -17.0553 -17.0553 -17.0409 -17.0409 -3.8979 -3.8979 -3.8956 -3.8956 -2.1933 -2.1933 -2.0632 -2.0632 -1.9120 -1.9120 -1.7850 -1.7850 0.3725 0.3725 0.7213 0.7213 4.5916 4.5916 4.7143 4.7143 4.8434 4.8434 5.2458 5.2458 5.4222 5.4222 5.6176 5.6176 6.0911 6.0911 6.2199 6.2199 6.4528 6.4528 6.6076 6.6076 6.7286 6.7286 6.9302 6.9302 7.9223 7.9223 8.3631 8.3631 9.2684 9.2684 9.6261 9.6261 11.0765 11.0765 12.2803 12.2803 12.6120 12.6120 13.3628 13.3628 14.6789 14.6789 k = 0.3958 0.4691-0.0000 ( 4678 PWs) bands (ev): -17.0550 -17.0550 -17.0407 -17.0407 -3.8980 -3.8980 -3.8957 -3.8957 -2.1927 -2.1927 -2.0573 -2.0573 -1.9203 -1.9203 -1.7924 -1.7924 0.3921 0.3921 0.7108 0.7108 4.5965 4.5965 4.7017 4.7017 4.8406 4.8406 5.2597 5.2597 5.4532 5.4532 5.5984 5.5984 6.0903 6.0903 6.2126 6.2126 6.4655 6.4655 6.6215 6.6215 6.7160 6.7160 6.9469 6.9469 7.8305 7.8305 8.3458 8.3458 9.2897 9.2897 9.6119 9.6119 11.1413 11.1413 12.3726 12.3726 12.5155 12.5155 13.3397 13.3397 14.7127 14.7127 k = 0.3889 0.4811-0.0000 ( 4672 PWs) bands (ev): -17.0547 -17.0547 -17.0404 -17.0404 -3.8982 -3.8982 -3.8959 -3.8959 -2.1923 -2.1923 -2.0511 -2.0511 -1.9287 -1.9287 -1.7992 -1.7992 0.4120 0.4120 0.6996 0.6996 4.6020 4.6020 4.6901 4.6901 4.8375 4.8375 5.2738 5.2738 5.4821 5.4821 5.5807 5.5807 6.0887 6.0887 6.2059 6.2059 6.4791 6.4791 6.6358 6.6358 6.7051 6.7051 6.9623 6.9623 7.7389 7.7389 8.3306 8.3306 9.3113 9.3113 9.5977 9.5977 11.2081 11.2081 12.4035 12.4035 12.4819 12.4819 13.3128 13.3128 14.6697 14.6697 k = 0.3819 0.4932-0.0000 ( 4664 PWs) bands (ev): -17.0544 -17.0544 -17.0401 -17.0401 -3.8983 -3.8983 -3.8961 -3.8961 -2.1920 -2.1920 -2.0448 -2.0448 -1.9370 -1.9370 -1.8054 -1.8054 0.4319 0.4319 0.6877 0.6877 4.6079 4.6079 4.6796 4.6796 4.8339 4.8339 5.2877 5.2877 5.5072 5.5072 5.5657 5.5657 6.0864 6.0864 6.1998 6.1998 6.4931 6.4931 6.6499 6.6499 6.6976 6.6976 6.9758 6.9758 7.6502 7.6502 8.3167 8.3167 9.3329 9.3329 9.5838 9.5838 11.2762 11.2762 12.3167 12.3167 12.5669 12.5669 13.2829 13.2829 14.6164 14.6164 k = 0.3750 0.5052-0.0000 ( 4662 PWs) bands (ev): -17.0541 -17.0541 -17.0399 -17.0399 -3.8985 -3.8985 -3.8963 -3.8963 -2.1919 -2.1919 -2.0383 -2.0383 -1.9451 -1.9451 -1.8109 -1.8109 0.4517 0.4517 0.6753 0.6753 4.6141 4.6141 4.6703 4.6703 4.8298 4.8298 5.3014 5.3014 5.5222 5.5222 5.5592 5.5592 6.0837 6.0837 6.1943 6.1943 6.5068 6.5068 6.6603 6.6603 6.6977 6.6977 6.9861 6.9861 7.5669 7.5669 8.3035 8.3035 9.3542 9.3542 9.5703 9.5703 11.3453 11.3453 12.2269 12.2269 12.6549 12.6549 13.2506 13.2506 14.5651 14.5651 k = 0.3681 0.5172-0.0000 ( 4670 PWs) bands (ev): -17.0538 -17.0538 -17.0397 -17.0397 -3.8986 -3.8986 -3.8965 -3.8965 -2.1918 -2.1918 -2.0318 -2.0318 -1.9531 -1.9531 -1.8156 -1.8156 0.4710 0.4710 0.6625 0.6625 4.6205 4.6205 4.6625 4.6625 4.8254 4.8254 5.3144 5.3144 5.5192 5.5192 5.5692 5.5692 6.0808 6.0808 6.1893 6.1893 6.5192 6.5192 6.6623 6.6623 6.7109 6.7109 6.9916 6.9916 7.4916 7.4916 8.2910 8.2910 9.3745 9.3745 9.5573 9.5573 11.4149 11.4149 12.1397 12.1397 12.7395 12.7395 13.2168 13.2168 14.5188 14.5188 k = 0.3611 0.5292-0.0000 ( 4670 PWs) bands (ev): -17.0536 -17.0536 -17.0395 -17.0395 -3.8988 -3.8988 -3.8968 -3.8968 -2.1919 -2.1919 -2.0254 -2.0254 -1.9607 -1.9607 -1.8194 -1.8194 0.4894 0.4894 0.6497 0.6497 4.6267 4.6267 4.6564 4.6564 4.8207 4.8207 5.3264 5.3264 5.5093 5.5093 5.5844 5.5844 6.0779 6.0779 6.1849 6.1849 6.5295 6.5295 6.6600 6.6600 6.7337 6.7337 6.9903 6.9903 7.4272 7.4272 8.2796 8.2796 9.3935 9.3935 9.5453 9.5453 11.4845 11.4845 12.0558 12.0558 12.8184 12.8184 13.1824 13.1824 14.4793 14.4793 k = 0.3542 0.5413-0.0000 ( 4654 PWs) bands (ev): -17.0534 -17.0534 -17.0393 -17.0393 -3.8989 -3.8989 -3.8970 -3.8970 -2.1920 -2.1920 -2.0192 -2.0192 -1.9678 -1.9678 -1.8225 -1.8225 0.5063 0.5063 0.6372 0.6372 4.6322 4.6322 4.6521 4.6521 4.8161 4.8161 5.3367 5.3367 5.4997 5.4997 5.5976 5.5976 6.0754 6.0754 6.1813 6.1813 6.5371 6.5371 6.6575 6.6575 6.7618 6.7618 6.9803 6.9803 7.3766 7.3766 8.2697 8.2697 9.4102 9.4102 9.5346 9.5346 11.5536 11.5536 11.9757 11.9757 12.8896 12.8896 13.1480 13.1480 14.4481 14.4481 k = 0.3472 0.5533-0.0000 ( 4654 PWs) bands (ev): -17.0533 -17.0533 -17.0392 -17.0392 -3.8990 -3.8990 -3.8972 -3.8972 -2.1922 -2.1922 -2.0135 -2.0135 -1.9741 -1.9741 -1.8246 -1.8246 0.5207 0.5207 0.6261 0.6261 4.6358 4.6358 4.6503 4.6503 4.8120 4.8120 5.3446 5.3446 5.4923 5.4923 5.6073 5.6073 6.0734 6.0734 6.1785 6.1785 6.5420 6.5420 6.6560 6.6560 6.7926 6.7926 6.9614 6.9614 7.3417 7.3417 8.2618 8.2618 9.4236 9.4236 9.5260 9.5260 11.6217 11.6217 11.8998 11.8998 12.9507 12.9507 13.1146 13.1146 14.4263 14.4263 k = 0.3403 0.5653-0.0000 ( 4668 PWs) bands (ev): -17.0532 -17.0532 -17.0391 -17.0391 -3.8991 -3.8991 -3.8973 -3.8973 -2.1923 -2.1923 -2.0091 -2.0091 -1.9789 -1.9789 -1.8259 -1.8259 0.5309 0.5309 0.6180 0.6180 4.6372 4.6372 4.6506 4.6506 4.8090 4.8090 5.3496 5.3496 5.4878 5.4878 5.6131 5.6131 6.0721 6.0721 6.1767 6.1767 6.5446 6.5446 6.6553 6.6553 6.8220 6.8220 6.9379 6.9379 7.3223 7.3223 8.2566 8.2566 9.4324 9.4324 9.5205 9.5205 11.6875 11.6875 11.8293 11.8293 12.9982 12.9982 13.0843 13.0843 14.4141 14.4141 k = 0.3333 0.5774-0.0000 ( 4668 PWs) bands (ev): -17.0532 -17.0532 -17.0391 -17.0391 -3.8991 -3.8991 -3.8974 -3.8974 -2.1924 -2.1924 -2.0073 -2.0073 -1.9808 -1.9808 -1.8263 -1.8263 0.5346 0.5346 0.6149 0.6149 4.6374 4.6374 4.6512 4.6512 4.8078 4.8078 5.3513 5.3513 5.4863 5.4863 5.6149 5.6149 6.0716 6.0716 6.1760 6.1760 6.5453 6.5453 6.6553 6.6553 6.8369 6.8369 6.9244 6.9244 7.3163 7.3163 8.2548 8.2548 9.4353 9.4353 9.5187 9.5187 11.7350 11.7350 11.7803 11.7803 13.0202 13.0202 13.0682 13.0682 14.4107 14.4107 k = 0.3333 0.5774-0.0000 ( 4668 PWs) bands (ev): -17.0532 -17.0532 -17.0391 -17.0391 -3.8991 -3.8991 -3.8974 -3.8974 -2.1924 -2.1924 -2.0073 -2.0073 -1.9808 -1.9808 -1.8263 -1.8263 0.5346 0.5346 0.6149 0.6149 4.6374 4.6374 4.6512 4.6512 4.8078 4.8078 5.3513 5.3513 5.4863 5.4863 5.6149 5.6149 6.0716 6.0716 6.1760 6.1760 6.5453 6.5453 6.6553 6.6553 6.8369 6.8369 6.9244 6.9244 7.3163 7.3163 8.2548 8.2548 9.4353 9.4353 9.5187 9.5187 11.7350 11.7350 11.7803 11.7803 13.0202 13.0202 13.0682 13.0682 14.4107 14.4107 k = 0.3264 0.5653-0.0000 ( 4660 PWs) bands (ev): -17.0532 -17.0532 -17.0391 -17.0391 -3.8990 -3.8990 -3.8973 -3.8973 -2.1923 -2.1923 -2.0090 -2.0090 -1.9790 -1.9790 -1.8259 -1.8259 0.5311 0.5311 0.6178 0.6178 4.6372 4.6372 4.6503 4.6503 4.8092 4.8092 5.3497 5.3497 5.4876 5.4876 5.6132 5.6132 6.0721 6.0721 6.1768 6.1768 6.5448 6.5448 6.6551 6.6551 6.8218 6.8218 6.9387 6.9387 7.3217 7.3217 8.2568 8.2568 9.4327 9.4327 9.5200 9.5200 11.6903 11.6903 11.8265 11.8265 13.0041 13.0041 13.0785 13.0785 14.4127 14.4127 k = 0.3194 0.5533-0.0000 ( 4652 PWs) bands (ev): -17.0533 -17.0533 -17.0392 -17.0392 -3.8990 -3.8990 -3.8971 -3.8971 -2.1920 -2.1920 -2.0132 -2.0132 -1.9745 -1.9745 -1.8247 -1.8247 0.5221 0.5221 0.6246 0.6246 4.6357 4.6357 4.6483 4.6483 4.8137 4.8137 5.3453 5.3453 5.4906 5.4906 5.6083 5.6083 6.0735 6.0735 6.1791 6.1791 6.5434 6.5434 6.6541 6.6541 6.7922 6.7922 6.9663 6.9663 7.3374 7.3374 8.2633 8.2633 9.4260 9.4260 9.5224 9.5224 11.6336 11.6336 11.8882 11.8882 12.9778 12.9778 13.0878 13.0878 14.4146 14.4146 k = 0.3125 0.5413-0.0000 ( 4654 PWs) bands (ev): -17.0535 -17.0535 -17.0394 -17.0394 -3.8988 -3.8988 -3.8967 -3.8967 -2.1915 -2.1915 -2.0183 -2.0183 -1.9689 -1.9689 -1.8228 -1.8228 0.5101 0.5101 0.6330 0.6330 4.6298 4.6298 4.6478 4.6478 4.8212 4.8212 5.3386 5.3386 5.4944 5.4944 5.6010 5.6010 6.0758 6.0758 6.1834 6.1834 6.5416 6.5416 6.6512 6.6512 6.7626 6.7626 6.9935 6.9935 7.3635 7.3635 8.2746 8.2746 9.4166 9.4166 9.5240 9.5240 11.5808 11.5808 11.9498 11.9498 12.9511 12.9511 13.0876 13.0876 14.4088 14.4088 k = 0.3056 0.5292-0.0000 ( 4654 PWs) bands (ev): -17.0537 -17.0537 -17.0396 -17.0396 -3.8986 -3.8986 -3.8962 -3.8962 -2.1907 -2.1907 -2.0239 -2.0239 -1.9627 -1.9627 -1.8203 -1.8203 0.4967 0.4967 0.6412 0.6412 4.6191 4.6191 4.6496 4.6496 4.8316 4.8316 5.3300 5.3300 5.4981 5.4981 5.5919 5.5919 6.0789 6.0789 6.1898 6.1898 6.5397 6.5397 6.6448 6.6448 6.7387 6.7387 7.0154 7.0154 7.4003 7.4003 8.2910 8.2910 9.4055 9.4055 9.5233 9.5233 11.5328 11.5328 12.0105 12.0105 12.9259 12.9259 13.0779 13.0779 14.3875 14.3875 k = 0.2986 0.5172-0.0000 ( 4658 PWs) bands (ev): -17.0540 -17.0540 -17.0398 -17.0398 -3.8983 -3.8983 -3.8953 -3.8953 -2.1895 -2.1895 -2.0297 -2.0297 -1.9562 -1.9562 -1.8171 -1.8171 0.4829 0.4829 0.6484 0.6484 4.6049 4.6049 4.6525 4.6525 4.8441 4.8441 5.3197 5.3197 5.5012 5.5012 5.5819 5.5819 6.0824 6.0824 6.1984 6.1984 6.5379 6.5379 6.6340 6.6340 6.7234 6.7234 7.0307 7.0307 7.4475 7.4475 8.3126 8.3126 9.3933 9.3933 9.5194 9.5194 11.4902 11.4902 12.0704 12.0704 12.9025 12.9025 13.0604 13.0604 14.3469 14.3469 k = 0.2917 0.5052-0.0000 ( 4665 PWs) bands (ev): -17.0544 -17.0544 -17.0402 -17.0402 -3.8979 -3.8979 -3.8943 -3.8943 -2.1879 -2.1879 -2.0355 -2.0355 -1.9496 -1.9496 -1.8135 -1.8135 0.4692 0.4692 0.6539 0.6539 4.5881 4.5881 4.6560 4.6560 4.8583 4.8583 5.3077 5.3077 5.5032 5.5032 5.5718 5.5718 6.0861 6.0861 6.2091 6.2091 6.5365 6.5365 6.6198 6.6198 6.7163 6.7163 7.0399 7.0399 7.5039 7.5039 8.3394 8.3394 9.3801 9.3801 9.5117 9.5117 11.4532 11.4532 12.1296 12.1296 12.8812 12.8812 13.0367 13.0367 14.2875 14.2875 k = 0.2847 0.4932-0.0000 ( 4669 PWs) bands (ev): -17.0549 -17.0549 -17.0406 -17.0406 -3.8975 -3.8975 -3.8929 -3.8929 -2.1858 -2.1858 -2.0413 -2.0413 -1.9429 -1.9429 -1.8094 -1.8094 0.4560 0.4560 0.6575 0.6575 4.5694 4.5694 4.6596 4.6596 4.8735 4.8735 5.2942 5.2942 5.5044 5.5044 5.5618 5.5618 6.0899 6.0899 6.2214 6.2214 6.5359 6.5359 6.6050 6.6050 6.7154 6.7154 7.0446 7.0446 7.5680 7.5680 8.3713 8.3713 9.3660 9.3660 9.4997 9.4997 11.4220 11.4220 12.1886 12.1886 12.8620 12.8620 13.0082 13.0082 14.2132 14.2132 k = 0.2778 0.4811-0.0000 ( 4669 PWs) bands (ev): -17.0554 -17.0554 -17.0410 -17.0410 -3.8969 -3.8969 -3.8912 -3.8912 -2.1833 -2.1833 -2.0473 -2.0473 -1.9361 -1.9361 -1.8049 -1.8049 0.4435 0.4435 0.6588 0.6588 4.5495 4.5495 4.6631 4.6631 4.8893 4.8893 5.2790 5.2790 5.5052 5.5052 5.5522 5.5522 6.0935 6.0935 6.2347 6.2347 6.5365 6.5365 6.5916 6.5916 6.7191 6.7191 7.0463 7.0463 7.6382 7.6382 8.4083 8.4083 9.3510 9.3510 9.4832 9.4832 11.3967 11.3967 12.2476 12.2476 12.8451 12.8451 12.9763 12.9763 14.1284 14.1284 k = 0.2708 0.4691-0.0000 ( 4665 PWs) bands (ev): -17.0560 -17.0560 -17.0416 -17.0416 -3.8963 -3.8963 -3.8891 -3.8891 -2.1802 -2.1802 -2.0533 -2.0533 -1.9293 -1.9293 -1.8001 -1.8001 0.4319 0.4319 0.6577 0.6577 4.5287 4.5287 4.6662 4.6662 4.9051 4.9051 5.2624 5.2624 5.5060 5.5060 5.5428 5.5428 6.0967 6.0967 6.2477 6.2477 6.5386 6.5386 6.5807 6.5807 6.7271 6.7271 7.0469 7.0469 7.7132 7.7132 8.4499 8.4499 9.3351 9.3351 9.4621 9.4621 11.3774 11.3774 12.3068 12.3068 12.8305 12.8305 12.9421 12.9421 14.0367 14.0367 k = 0.2639 0.4571-0.0000 ( 4663 PWs) bands (ev): -17.0567 -17.0567 -17.0422 -17.0422 -3.8956 -3.8956 -3.8867 -3.8867 -2.1765 -2.1765 -2.0595 -2.0595 -1.9222 -1.9222 -1.7950 -1.7950 0.4214 0.4214 0.6540 0.6540 4.5075 4.5075 4.6687 4.6687 4.9206 4.9206 5.2446 5.2446 5.5073 5.5073 5.5335 5.5335 6.0996 6.0996 6.2595 6.2595 6.5422 6.5422 6.5727 6.5727 6.7400 6.7400 7.0479 7.0479 7.7919 7.7919 8.4962 8.4962 9.3181 9.3181 9.4364 9.4364 11.3643 11.3643 12.3667 12.3667 12.8182 12.8182 12.9062 12.9062 13.9407 13.9407 k = 0.2569 0.4450-0.0000 ( 4671 PWs) bands (ev): -17.0575 -17.0575 -17.0428 -17.0428 -3.8949 -3.8949 -3.8839 -3.8839 -2.1724 -2.1724 -2.0658 -2.0658 -1.9151 -1.9151 -1.7897 -1.7897 0.4123 0.4123 0.6476 0.6476 4.4863 4.4863 4.6702 4.6702 4.9353 4.9353 5.2260 5.2260 5.5089 5.5089 5.5245 5.5245 6.1019 6.1019 6.2690 6.2690 6.5465 6.5465 6.5678 6.5678 6.7589 6.7589 7.0508 7.0508 7.8735 7.8735 8.5466 8.5466 9.2999 9.2999 9.4064 9.4064 11.3573 11.3573 12.4272 12.4272 12.8080 12.8080 12.8696 12.8696 13.8423 13.8423 k = 0.2500 0.4330-0.0000 ( 4673 PWs) bands (ev): -17.0583 -17.0583 -17.0436 -17.0436 -3.8941 -3.8941 -3.8807 -3.8807 -2.1676 -2.1676 -2.0723 -2.0723 -1.9077 -1.9077 -1.7843 -1.7843 0.4045 0.4045 0.6385 0.6385 4.4654 4.4654 4.6705 4.6705 4.9491 4.9491 5.2070 5.2070 5.5079 5.5079 5.5185 5.5185 6.1037 6.1037 6.2757 6.2757 6.5498 6.5498 6.5666 6.5666 6.7853 6.7853 7.0567 7.0567 7.9573 7.9573 8.6011 8.6011 9.2800 9.2800 9.3727 9.3727 11.3564 11.3564 12.4884 12.4884 12.7993 12.7993 12.8334 12.8334 13.7430 13.7430 k = 0.2431 0.4210-0.0000 ( 4685 PWs) bands (ev): -17.0593 -17.0593 -17.0444 -17.0444 -3.8932 -3.8932 -3.8771 -3.8771 -2.1624 -2.1624 -2.0789 -2.0789 -1.9000 -1.9000 -1.7788 -1.7788 0.3982 0.3982 0.6266 0.6266 4.4451 4.4451 4.6694 4.6694 4.9617 4.9617 5.1882 5.1882 5.4994 5.4994 5.5199 5.5199 6.1050 6.1050 6.2797 6.2797 6.5510 6.5510 6.5690 6.5690 6.8199 6.8199 7.0668 7.0668 8.0429 8.0429 8.6593 8.6593 9.2572 9.2572 9.3368 9.3368 11.3617 11.3617 12.5499 12.5499 12.7843 12.7843 12.8062 12.8062 13.6438 13.6438 k = 0.2361 0.4090-0.0000 ( 4679 PWs) bands (ev): -17.0603 -17.0603 -17.0453 -17.0453 -3.8924 -3.8924 -3.8730 -3.8730 -2.1568 -2.1568 -2.0855 -2.0855 -1.8921 -1.8921 -1.7733 -1.7733 0.3934 0.3934 0.6120 0.6120 4.4256 4.4256 4.6666 4.6666 4.9729 4.9729 5.1700 5.1700 5.4882 5.4882 5.5236 5.5236 6.1058 6.1058 6.2813 6.2813 6.5511 6.5511 6.5728 6.5728 6.8630 6.8630 7.0822 7.0822 8.1299 8.1299 8.7207 8.7207 9.2295 9.2295 9.3014 9.3014 11.3729 11.3729 12.6104 12.6104 12.7514 12.7514 12.8004 12.8004 13.5457 13.5457 k = 0.2292 0.3969-0.0000 ( 4681 PWs) bands (ev): -17.0614 -17.0614 -17.0462 -17.0462 -3.8915 -3.8915 -3.8686 -3.8686 -2.1510 -2.1510 -2.0918 -2.0918 -1.8839 -1.8839 -1.7678 -1.7678 0.3903 0.3903 0.5946 0.5946 4.4073 4.4073 4.6618 4.6618 4.9828 4.9828 5.1529 5.1529 5.4760 5.4760 5.5274 5.5274 6.1063 6.1063 6.2810 6.2810 6.5511 6.5511 6.5766 6.5766 6.9141 6.9141 7.1039 7.1039 8.2178 8.2178 8.7846 8.7846 9.1940 9.1940 9.2699 9.2699 11.3901 11.3901 12.6655 12.6655 12.7166 12.7166 12.8043 12.8043 13.4497 13.4497 k = 0.2222 0.3849-0.0000 ( 4695 PWs) bands (ev): -17.0625 -17.0625 -17.0472 -17.0472 -3.8906 -3.8906 -3.8637 -3.8637 -2.1456 -2.1456 -2.0974 -2.0974 -1.8753 -1.8753 -1.7623 -1.7623 0.3887 0.3887 0.5745 0.5745 4.3902 4.3902 4.6550 4.6550 4.9911 4.9911 5.1373 5.1373 5.4632 5.4632 5.5304 5.5304 6.1066 6.1066 6.2796 6.2796 6.5507 6.5507 6.5804 6.5804 6.9720 6.9720 7.1332 7.1332 8.3063 8.3063 8.8496 8.8496 9.1512 9.1512 9.2440 9.2440 11.4130 11.4130 12.6692 12.6692 12.7228 12.7228 12.8199 12.8199 13.3571 13.3571 k = 0.2153 0.3729-0.0000 ( 4691 PWs) bands (ev): -17.0637 -17.0637 -17.0483 -17.0483 -3.8897 -3.8897 -3.8585 -3.8585 -2.1418 -2.1418 -2.1009 -2.1009 -1.8664 -1.8664 -1.7569 -1.7569 0.3888 0.3888 0.5519 0.5519 4.3745 4.3745 4.6460 4.6460 4.9981 4.9981 5.1234 5.1234 5.4499 5.4499 5.5320 5.5320 6.1072 6.1072 6.2773 6.2773 6.5495 6.5495 6.5845 6.5845 7.0349 7.0349 7.1713 7.1713 8.3954 8.3954 8.9106 8.9106 9.1072 9.1072 9.2225 9.2225 11.4414 11.4414 12.6324 12.6324 12.7497 12.7497 12.8540 12.8540 13.2703 13.2703 k = 0.2083 0.3608-0.0000 ( 4693 PWs) bands (ev): -17.0650 -17.0650 -17.0494 -17.0494 -3.8889 -3.8889 -3.8528 -3.8528 -2.1413 -2.1413 -2.1006 -2.1006 -1.8571 -1.8571 -1.7517 -1.7517 0.3904 0.3904 0.5268 0.5268 4.3603 4.3603 4.6346 4.6346 5.0039 5.0039 5.1114 5.1114 5.4362 5.4362 5.5316 5.5316 6.1083 6.1083 6.2746 6.2746 6.5472 6.5472 6.5893 6.5893 7.1009 7.1009 7.2198 7.2198 8.4846 8.4846 8.9469 8.9469 9.0842 9.0842 9.2045 9.2045 11.4752 11.4752 12.5931 12.5931 12.7626 12.7626 12.8982 12.8982 13.1946 13.1946 k = 0.2014 0.3488-0.0000 ( 4693 PWs) bands (ev): -17.0664 -17.0664 -17.0506 -17.0506 -3.8882 -3.8882 -3.8468 -3.8468 -2.1447 -2.1447 -2.0958 -2.0958 -1.8474 -1.8474 -1.7466 -1.7466 0.3932 0.3932 0.4997 0.4997 4.3476 4.3476 4.6210 4.6210 5.0086 5.0086 5.1012 5.1012 5.4222 5.4222 5.5289 5.5289 6.1102 6.1102 6.2717 6.2717 6.5435 6.5435 6.5951 6.5951 7.1681 7.1681 7.2802 7.2802 8.5739 8.5739 8.9238 8.9238 9.1144 9.1144 9.1925 9.1925 11.5140 11.5140 12.5524 12.5524 12.7680 12.7680 12.9289 12.9289 13.1450 13.1450 k = 0.1944 0.3368-0.0000 ( 4693 PWs) bands (ev): -17.0678 -17.0678 -17.0518 -17.0518 -3.8875 -3.8875 -3.8405 -3.8405 -2.1510 -2.1510 -2.0876 -2.0876 -1.8373 -1.8373 -1.7416 -1.7416 0.3969 0.3969 0.4711 0.4711 4.3364 4.3364 4.6052 4.6052 5.0124 5.0124 5.0928 5.0928 5.4081 5.4081 5.5236 5.5236 6.1132 6.1132 6.2687 6.2687 6.5386 6.5386 6.6018 6.6018 7.2359 7.2359 7.3526 7.3526 8.6630 8.6630 8.8674 8.8674 9.1467 9.1467 9.2121 9.2121 11.5578 11.5578 12.5102 12.5102 12.7675 12.7675 12.9196 12.9196 13.1461 13.1461 k = 0.1875 0.3248-0.0000 ( 4705 PWs) bands (ev): -17.0692 -17.0692 -17.0531 -17.0531 -3.8870 -3.8870 -3.8338 -3.8338 -2.1588 -2.1588 -2.0773 -2.0773 -1.8269 -1.8269 -1.7368 -1.7368 0.3991 0.3991 0.4434 0.4434 4.3268 4.3268 4.5873 4.5873 5.0157 5.0157 5.0860 5.0860 5.3940 5.3940 5.5157 5.5157 6.1175 6.1175 6.2659 6.2659 6.5325 6.5325 6.6091 6.6091 7.3053 7.3053 7.4353 7.4353 8.7501 8.7501 8.8022 8.8022 9.1424 9.1424 9.2795 9.2795 11.6061 11.6061 12.4661 12.4661 12.7569 12.7569 12.8830 12.8830 13.1892 13.1892 k = 0.1806 0.3127-0.0000 ( 4707 PWs) bands (ev): -17.0707 -17.0707 -17.0543 -17.0543 -3.8866 -3.8866 -3.8269 -3.8269 -2.1674 -2.1674 -2.0654 -2.0654 -1.8161 -1.8161 -1.7323 -1.7323 0.3886 0.3886 0.4279 0.4279 4.3186 4.3186 4.5676 4.5676 5.0186 5.0186 5.0805 5.0805 5.3799 5.3799 5.5053 5.5053 6.1231 6.1231 6.2633 6.2633 6.5254 6.5254 6.6170 6.6170 7.3780 7.3780 7.5261 7.5261 8.7258 8.7258 8.8427 8.8427 9.1320 9.1320 9.3590 9.3590 11.6586 11.6586 12.4195 12.4195 12.7277 12.7277 12.8527 12.8527 13.2486 13.2486 k = 0.1736 0.3007-0.0000 ( 4703 PWs) bands (ev): -17.0722 -17.0722 -17.0557 -17.0557 -3.8863 -3.8863 -3.8198 -3.8198 -2.1764 -2.1764 -2.0523 -2.0523 -1.8051 -1.8051 -1.7279 -1.7279 0.3594 0.3594 0.4306 0.4306 4.3118 4.3118 4.5464 4.5464 5.0214 5.0214 5.0759 5.0759 5.3660 5.3660 5.4927 5.4927 6.1300 6.1300 6.2609 6.2609 6.5174 6.5174 6.6252 6.6252 7.4552 7.4552 7.6233 7.6233 8.6509 8.6509 8.9292 8.9292 9.1229 9.1229 9.4422 9.4422 11.7149 11.7149 12.3701 12.3701 12.6811 12.6811 12.8380 12.8380 13.3130 13.3130 k = 0.1667 0.2887-0.0000 ( 4699 PWs) bands (ev): -17.0737 -17.0737 -17.0570 -17.0570 -3.8862 -3.8862 -3.8124 -3.8124 -2.1855 -2.1855 -2.0382 -2.0382 -1.7937 -1.7937 -1.7237 -1.7237 0.3240 0.3240 0.4394 0.4394 4.3062 4.3062 4.5239 4.5239 5.0243 5.0243 5.0720 5.0720 5.3523 5.3523 5.4781 5.4781 6.1381 6.1381 6.2587 6.2587 6.5088 6.5088 6.6336 6.6336 7.5373 7.5373 7.7256 7.7256 8.5734 8.5734 9.0108 9.0108 9.1203 9.1203 9.5272 9.5272 11.7744 11.7744 12.3179 12.3179 12.6282 12.6282 12.8304 12.8304 13.3783 13.3783 k = 0.1597 0.2766-0.0000 ( 4711 PWs) bands (ev): -17.0753 -17.0753 -17.0583 -17.0583 -3.8863 -3.8863 -3.8049 -3.8049 -2.1948 -2.1948 -2.0231 -2.0231 -1.7821 -1.7821 -1.7198 -1.7198 0.2861 0.2861 0.4503 0.4503 4.3018 4.3018 4.5005 4.5005 5.0273 5.0273 5.0686 5.0686 5.3390 5.3390 5.4620 5.4620 6.1474 6.1474 6.2568 6.2568 6.4996 6.4996 6.6422 6.6422 7.6245 7.6245 7.8321 7.8321 8.4943 8.4943 9.0646 9.0646 9.1471 9.1471 9.6128 9.6128 11.8359 11.8359 12.2638 12.2638 12.5760 12.5760 12.8234 12.8234 13.4422 13.4422 k = 0.1528 0.2646-0.0000 ( 4711 PWs) bands (ev): -17.0768 -17.0768 -17.0597 -17.0597 -3.8866 -3.8866 -3.7973 -3.7973 -2.2039 -2.2039 -2.0072 -2.0072 -1.7702 -1.7702 -1.7160 -1.7160 0.2467 0.2467 0.4626 0.4626 4.2983 4.2983 4.4763 4.4763 5.0304 5.0304 5.0655 5.0655 5.3261 5.3261 5.4447 5.4447 6.1577 6.1577 6.2551 6.2551 6.4899 6.4899 6.6508 6.6508 7.7167 7.7167 7.9419 7.9419 8.4147 8.4147 9.0743 9.0743 9.2197 9.2197 9.6984 9.6984 11.8970 11.8970 12.2106 12.2106 12.5266 12.5266 12.8134 12.8134 13.5033 13.5033 k = 0.1458 0.2526-0.0000 ( 4715 PWs) bands (ev): -17.0784 -17.0784 -17.0611 -17.0611 -3.8870 -3.8870 -3.7897 -3.7897 -2.2129 -2.2129 -1.9904 -1.9904 -1.7583 -1.7583 -1.7124 -1.7124 0.2062 0.2062 0.4760 0.4760 4.2957 4.2957 4.4518 4.4518 5.0337 5.0337 5.0627 5.0627 5.3137 5.3137 5.4267 5.4267 6.1689 6.1689 6.2536 6.2536 6.4799 6.4799 6.6594 6.6594 7.8138 7.8138 8.0528 8.0528 8.3367 8.3367 9.0729 9.0729 9.3050 9.3050 9.7834 9.7834 11.9504 11.9504 12.1659 12.1659 12.4806 12.4806 12.7981 12.7981 13.5603 13.5603 k = 0.1389 0.2406-0.0000 ( 4723 PWs) bands (ev): -17.0800 -17.0800 -17.0624 -17.0624 -3.8877 -3.8877 -3.7820 -3.7820 -2.2217 -2.2217 -1.9729 -1.9729 -1.7463 -1.7463 -1.7090 -1.7090 0.1649 0.1649 0.4902 0.4902 4.2938 4.2938 4.4271 4.4271 5.0369 5.0369 5.0601 5.0601 5.3020 5.3020 5.4083 5.4083 6.1808 6.1808 6.2524 6.2524 6.4696 6.4696 6.6679 6.6679 7.9155 7.9155 8.1516 8.1516 8.2735 8.2735 9.0704 9.0704 9.3930 9.3930 9.8672 9.8672 11.9743 11.9743 12.1525 12.1525 12.4376 12.4376 12.7760 12.7760 13.6122 13.6122 k = 0.1319 0.2285-0.0000 ( 4719 PWs) bands (ev): -17.0815 -17.0815 -17.0638 -17.0638 -3.8885 -3.8885 -3.7744 -3.7744 -2.2302 -2.2302 -1.9546 -1.9546 -1.7343 -1.7343 -1.7056 -1.7056 0.1231 0.1231 0.5050 0.5050 4.2924 4.2924 4.4025 4.4025 5.0399 5.0399 5.0576 5.0576 5.2911 5.2911 5.3899 5.3899 6.1935 6.1935 6.2513 6.2513 6.4592 6.4592 6.6763 6.6763 8.0216 8.0216 8.1442 8.1442 8.3193 8.3193 9.0689 9.0689 9.4814 9.4814 9.9494 9.9494 11.9503 11.9503 12.1888 12.1888 12.3972 12.3972 12.7456 12.7456 13.6580 13.6580 k = 0.1250 0.2165-0.0000 ( 4715 PWs) bands (ev): -17.0831 -17.0831 -17.0651 -17.0651 -3.8896 -3.8896 -3.7668 -3.7668 -2.2383 -2.2383 -1.9358 -1.9358 -1.7227 -1.7227 -1.7022 -1.7022 0.0811 0.0811 0.5202 0.5202 4.2912 4.2912 4.3784 4.3784 5.0423 5.0423 5.0556 5.0556 5.2809 5.2809 5.3718 5.3718 6.2069 6.2069 6.2504 6.2504 6.4487 6.4487 6.6845 6.6845 8.0709 8.0709 8.1319 8.1319 8.4335 8.4335 9.0688 9.0688 9.5696 9.5696 10.0297 10.0297 11.9014 11.9014 12.2512 12.2512 12.3596 12.3596 12.7063 12.7063 13.6964 13.6964 k = 0.1181 0.2045-0.0000 ( 4715 PWs) bands (ev): -17.0846 -17.0846 -17.0664 -17.0664 -3.8908 -3.8908 -3.7594 -3.7594 -2.2461 -2.2461 -1.9164 -1.9164 -1.7119 -1.7119 -1.6980 -1.6980 0.0389 0.0389 0.5358 0.5358 4.2899 4.2899 4.3552 4.3552 5.0436 5.0436 5.0543 5.0543 5.2717 5.2717 5.3544 5.3544 6.2206 6.2206 6.2498 6.2498 6.4382 6.4382 6.6924 6.6924 7.9916 7.9916 8.2459 8.2459 8.5566 8.5566 9.0703 9.0703 9.6569 9.6569 10.1077 10.1077 11.8455 11.8455 12.3039 12.3039 12.3415 12.3415 12.6584 12.6584 13.7260 13.7260 k = 0.1111 0.1925-0.0000 ( 4715 PWs) bands (ev): -17.0860 -17.0860 -17.0677 -17.0677 -3.8921 -3.8921 -3.7521 -3.7521 -2.2534 -2.2534 -1.8965 -1.8965 -1.7036 -1.7036 -1.6917 -1.6917 -0.0031 -0.0031 0.5515 0.5515 4.2876 4.2876 4.3339 4.3339 5.0432 5.0432 5.0541 5.0541 5.2634 5.2634 5.3380 5.3380 6.2341 6.2341 6.2503 6.2503 6.4280 6.4280 6.7001 6.7001 7.9117 7.9117 8.3634 8.3634 8.6832 8.6832 9.0734 9.0734 9.7427 9.7427 10.1835 10.1835 11.7883 11.7883 12.2785 12.2785 12.4013 12.4013 12.6059 12.6059 13.7415 13.7415 k = 0.1042 0.1804-0.0000 ( 4711 PWs) bands (ev): -17.0875 -17.0875 -17.0690 -17.0690 -3.8936 -3.8936 -3.7451 -3.7451 -2.2603 -2.2603 -1.8764 -1.8764 -1.6987 -1.6987 -1.6823 -1.6823 -0.0446 -0.0446 0.5672 0.5672 4.2820 4.2820 4.3168 4.3168 5.0413 5.0413 5.0545 5.0545 5.2562 5.2562 5.3229 5.3229 6.2427 6.2427 6.2562 6.2562 6.4180 6.4180 6.7075 6.7075 7.8322 7.8322 8.4843 8.4843 8.8117 8.8117 9.0781 9.0781 9.8261 9.8261 10.2570 10.2570 11.7320 11.7320 12.2429 12.2429 12.4446 12.4446 12.5730 12.5730 13.7278 13.7278 k = 0.0972 0.1684-0.0000 ( 4703 PWs) bands (ev): -17.0888 -17.0888 -17.0701 -17.0701 -3.8952 -3.8952 -3.7383 -3.7383 -2.2668 -2.2668 -1.8561 -1.8561 -1.6954 -1.6954 -1.6717 -1.6717 -0.0856 -0.0856 0.5827 0.5827 4.2699 4.2699 4.3071 4.3071 5.0387 5.0387 5.0547 5.0547 5.2500 5.2500 5.3094 5.3094 6.2439 6.2439 6.2699 6.2699 6.4085 6.4085 6.7145 6.7145 7.7539 7.7539 8.6082 8.6082 8.9411 8.9411 9.0850 9.0850 9.9062 9.9062 10.3286 10.3286 11.6775 11.6775 12.2061 12.2061 12.4077 12.4077 12.6134 12.6134 13.6915 13.6915 k = 0.0903 0.1564-0.0000 ( 4707 PWs) bands (ev): -17.0901 -17.0901 -17.0713 -17.0713 -3.8968 -3.8968 -3.7319 -3.7319 -2.2727 -2.2727 -1.8359 -1.8359 -1.6926 -1.6926 -1.6609 -1.6609 -0.1256 -0.1256 0.5979 0.5979 4.2529 4.2529 4.3034 4.3034 5.0356 5.0356 5.0543 5.0543 5.2448 5.2448 5.2976 5.2976 6.2434 6.2434 6.2858 6.2858 6.3997 6.3997 6.7213 6.7213 7.6770 7.6770 8.7349 8.7349 9.0626 9.0626 9.1020 9.1020 9.9819 9.9819 10.3989 10.3989 11.6252 11.6252 12.1674 12.1674 12.3305 12.3305 12.6880 12.6880 13.6511 13.6511 k = 0.0833 0.1443-0.0000 ( 4703 PWs) bands (ev): -17.0914 -17.0914 -17.0724 -17.0724 -3.8985 -3.8985 -3.7257 -3.7257 -2.2782 -2.2782 -1.8159 -1.8159 -1.6898 -1.6898 -1.6504 -1.6504 -0.1645 -0.1645 0.6126 0.6126 4.2345 4.2345 4.3022 4.3022 5.0323 5.0323 5.0529 5.0529 5.2406 5.2406 5.2877 5.2877 6.2424 6.2424 6.3021 6.3021 6.3920 6.3920 6.7279 6.7279 7.6021 7.6021 8.8642 8.8642 9.0945 9.0945 9.2102 9.2102 10.0518 10.0518 10.4687 10.4687 11.5753 11.5753 12.1226 12.1226 12.2450 12.2450 12.7688 12.7688 13.6114 13.6114 k = 0.0764 0.1323-0.0000 ( 4697 PWs) bands (ev): -17.0926 -17.0926 -17.0734 -17.0734 -3.9003 -3.9003 -3.7200 -3.7200 -2.2832 -2.2832 -1.7965 -1.7965 -1.6870 -1.6870 -1.6403 -1.6403 -0.2020 -0.2020 0.6267 0.6267 4.2165 4.2165 4.3019 4.3019 5.0289 5.0289 5.0505 5.0505 5.2374 5.2374 5.2797 5.2797 6.2413 6.2413 6.3177 6.3177 6.3864 6.3864 6.7342 6.7342 7.5293 7.5293 8.9957 8.9957 9.1049 9.1049 9.3409 9.3409 10.1147 10.1147 10.5388 10.5388 11.5277 11.5277 12.0596 12.0596 12.1692 12.1692 12.8502 12.8502 13.5737 13.5737 k = 0.0694 0.1203-0.0000 ( 4719 PWs) bands (ev): -17.0937 -17.0937 -17.0744 -17.0744 -3.9020 -3.9020 -3.7146 -3.7146 -2.2878 -2.2878 -1.7780 -1.7780 -1.6838 -1.6838 -1.6307 -1.6307 -0.2378 -0.2378 0.6401 0.6401 4.1993 4.1993 4.3020 4.3020 5.0254 5.0254 5.0471 5.0471 5.2351 5.2351 5.2737 5.2737 6.2400 6.2400 6.3307 6.3307 6.3848 6.3848 6.7403 6.7403 7.4589 7.4589 9.1117 9.1117 9.1322 9.1322 9.4720 9.4720 10.1697 10.1697 10.6097 10.6097 11.4820 11.4820 11.9677 11.9677 12.1159 12.1159 12.9298 12.9298 13.5384 13.5384 k = 0.0625 0.1083-0.0000 ( 4715 PWs) bands (ev): -17.0947 -17.0947 -17.0752 -17.0752 -3.9037 -3.9037 -3.7097 -3.7097 -2.2918 -2.2918 -1.7610 -1.7610 -1.6801 -1.6801 -1.6218 -1.6218 -0.2716 -0.2716 0.6527 0.6527 4.1833 4.1833 4.3022 4.3022 5.0219 5.0219 5.0430 5.0430 5.2335 5.2335 5.2693 5.2693 6.2387 6.2387 6.3377 6.3377 6.3904 6.3904 6.7463 6.7463 7.3913 7.3913 9.1235 9.1235 9.2655 9.2655 9.6021 9.6021 10.2163 10.2163 10.6815 10.6815 11.4378 11.4378 11.8569 11.8569 12.0770 12.0770 13.0061 13.0061 13.5055 13.5055 k = 0.0556 0.0962-0.0000 ( 4711 PWs) bands (ev): -17.0956 -17.0956 -17.0760 -17.0760 -3.9053 -3.9053 -3.7052 -3.7052 -2.2954 -2.2954 -1.7459 -1.7459 -1.6754 -1.6754 -1.6136 -1.6136 -0.3032 -0.3032 0.6643 0.6643 4.1686 4.1686 4.3025 4.3025 5.0184 5.0184 5.0384 5.0384 5.2325 5.2325 5.2665 5.2665 6.2374 6.2374 6.3384 6.3384 6.4034 6.4034 6.7523 6.7523 7.3269 7.3269 9.1332 9.1332 9.4023 9.4023 9.7301 9.7301 10.2545 10.2545 10.7536 10.7536 11.3941 11.3941 11.7368 11.7368 12.0443 12.0443 13.0775 13.0775 13.4667 13.4671 k = 0.0486 0.0842-0.0000 ( 4707 PWs) bands (ev): -17.0964 -17.0964 -17.0767 -17.0767 -3.9067 -3.9067 -3.7012 -3.7012 -2.2985 -2.2985 -1.7334 -1.7334 -1.6696 -1.6696 -1.6061 -1.6061 -0.3321 -0.3321 0.6748 0.6748 4.1555 4.1555 4.3029 4.3029 5.0152 5.0152 5.0335 5.0335 5.2320 5.2320 5.2648 5.2648 6.2360 6.2360 6.3358 6.3358 6.4206 6.4206 6.7585 6.7585 7.2659 7.2659 9.1425 9.1425 9.5403 9.5403 9.8549 9.8549 10.2851 10.2851 10.8251 10.8251 11.3499 11.3499 11.6119 11.6119 12.0151 12.0151 13.1429 13.1429 13.3829 13.3832 k = 0.0417 0.0722-0.0000 ( 4711 PWs) bands (ev): -17.0971 -17.0971 -17.0774 -17.0774 -3.9081 -3.9081 -3.6977 -3.6977 -2.3012 -2.3012 -1.7237 -1.7237 -1.6625 -1.6625 -1.5996 -1.5996 -0.3581 -0.3581 0.6841 0.6841 4.1439 4.1439 4.3032 4.3032 5.0122 5.0122 5.0286 5.0286 5.2319 5.2319 5.2641 5.2641 6.2348 6.2348 6.3321 6.3321 6.4393 6.4393 6.7651 6.7651 7.2089 7.2089 9.1511 9.1511 9.6788 9.6788 9.9752 9.9752 10.3089 10.3089 10.8942 10.8942 11.3031 11.3031 11.4859 11.4859 11.9887 11.9887 13.2006 13.2006 13.2880 13.2880 k = 0.0347 0.0601-0.0000 ( 4721 PWs) bands (ev): -17.0978 -17.0978 -17.0779 -17.0779 -3.9093 -3.9093 -3.6947 -3.6947 -2.3035 -2.3035 -1.7168 -1.7168 -1.6545 -1.6545 -1.5939 -1.5939 -0.3808 -0.3808 0.6921 0.6921 4.1340 4.1340 4.3034 4.3034 5.0095 5.0095 5.0239 5.0239 5.2321 5.2321 5.2639 5.2639 6.2336 6.2336 6.3283 6.3283 6.4581 6.4581 6.7721 6.7721 7.1565 7.1565 9.1589 9.1589 9.8172 9.8172 10.0889 10.0889 10.3270 10.3270 10.9589 10.9589 11.2479 11.2479 11.3657 11.3657 11.9651 11.9651 13.2006 13.2006 13.2321 13.2321 k = 0.0278 0.0481-0.0000 ( 4729 PWs) bands (ev): -17.0983 -17.0983 -17.0784 -17.0784 -3.9103 -3.9103 -3.6922 -3.6922 -2.3053 -2.3053 -1.7120 -1.7120 -1.6466 -1.6466 -1.5892 -1.5892 -0.3999 -0.3999 0.6987 0.6987 4.1258 4.1258 4.3036 4.3036 5.0072 5.0072 5.0198 5.0198 5.2324 5.2324 5.2641 5.2641 6.2326 6.2326 6.3250 6.3250 6.4757 6.4757 6.7796 6.7796 7.1094 7.1094 9.1656 9.1656 9.9541 9.9541 10.1933 10.1933 10.3406 10.3406 11.0170 11.0170 11.1669 11.1669 11.2711 11.2711 11.9446 11.9446 13.1249 13.1249 13.1711 13.1711 k = 0.0208 0.0361-0.0000 ( 4733 PWs) bands (ev): -17.0987 -17.0987 -17.0787 -17.0787 -3.9111 -3.9111 -3.6903 -3.6903 -2.3067 -2.3067 -1.7089 -1.7089 -1.6395 -1.6395 -1.5855 -1.5855 -0.4152 -0.4152 0.7040 0.7040 4.1194 4.1194 4.3038 4.3038 5.0054 5.0054 5.0165 5.0165 5.2328 5.2328 5.2645 5.2645 6.2317 6.2317 6.3222 6.3222 6.4911 6.4911 6.7876 6.7876 7.0691 7.0691 9.1711 9.1711 10.0873 10.0873 10.2840 10.2840 10.3513 10.3513 11.0536 11.0536 11.0674 11.0674 11.2112 11.2112 11.9278 11.9278 13.0625 13.0625 13.1217 13.1217 k = 0.0139 0.0241-0.0000 ( 4737 PWs) bands (ev): -17.0990 -17.0990 -17.0790 -17.0790 -3.9117 -3.9117 -3.6889 -3.6889 -2.3077 -2.3077 -1.7070 -1.7070 -1.6340 -1.6340 -1.5828 -1.5828 -0.4263 -0.4263 0.7078 0.7078 4.1148 4.1148 4.3039 4.3039 5.0040 5.0040 5.0140 5.0140 5.2331 5.2331 5.2649 5.2649 6.2311 6.2311 6.3202 6.3202 6.5032 6.5032 6.7953 6.7953 7.0371 7.0371 9.1751 9.1751 10.2114 10.2114 10.3448 10.3448 10.3710 10.3710 10.9385 10.9385 11.1027 11.1027 11.1696 11.1696 11.9151 11.9151 13.0158 13.0158 13.0854 13.0854 k = 0.0069 0.0120-0.0000 ( 4733 PWs) bands (ev): -17.0991 -17.0991 -17.0791 -17.0791 -3.9121 -3.9121 -3.6881 -3.6881 -2.3083 -2.3083 -1.7059 -1.7059 -1.6305 -1.6305 -1.5812 -1.5812 -0.4330 -0.4330 0.7101 0.7101 4.1120 4.1120 4.3040 4.3040 5.0032 5.0032 5.0124 5.0124 5.2333 5.2333 5.2652 5.2652 6.2307 6.2307 6.3190 6.3190 6.5109 6.5109 6.8013 6.8013 7.0161 7.0161 9.1775 9.1775 10.3117 10.3117 10.3566 10.3566 10.4132 10.4132 10.8403 10.8403 11.1218 11.1218 11.1458 11.1458 11.9072 11.9072 12.9869 12.9869 13.0633 13.0633 k = 0.0000 0.0000 0.0000 ( 4721 PWs) bands (ev): -17.0992 -17.0992 -17.0792 -17.0792 -3.9122 -3.9122 -3.6878 -3.6878 -2.3085 -2.3085 -1.7056 -1.7056 -1.6293 -1.6293 -1.5806 -1.5806 -0.4353 -0.4353 0.7109 0.7109 4.1111 4.1111 4.3040 4.3040 5.0029 5.0029 5.0119 5.0119 5.2334 5.2334 5.2653 5.2653 6.2306 6.2306 6.3186 6.3186 6.5136 6.5136 6.8036 6.8036 7.0087 7.0087 9.1784 9.1784 10.3482 10.3482 10.3657 10.3657 10.4301 10.4301 10.7973 10.7973 11.1216 11.1216 11.1438 11.1438 11.9046 11.9046 12.9771 12.9771 13.0558 13.0558 k = 0.0000 0.0000 0.0000 ( 4721 PWs) bands (ev): -17.0992 -17.0992 -17.0792 -17.0792 -3.9122 -3.9122 -3.6878 -3.6878 -2.3085 -2.3085 -1.7056 -1.7056 -1.6293 -1.6293 -1.5806 -1.5806 -0.4353 -0.4353 0.7109 0.7109 4.1111 4.1111 4.3040 4.3040 5.0029 5.0029 5.0119 5.0119 5.2334 5.2334 5.2653 5.2653 6.2306 6.2306 6.3186 6.3186 6.5136 6.5136 6.8036 6.8036 7.0087 7.0087 9.1784 9.1784 10.3482 10.3482 10.3657 10.3657 10.4301 10.4301 10.7973 10.7973 11.1216 11.1216 11.1438 11.1438 11.9046 11.9046 12.9771 12.9771 13.0558 13.0558 k = 0.0000 0.0000 0.0136 ( 4727 PWs) bands (ev): -17.0991 -17.0991 -17.0792 -17.0792 -3.9117 -3.9117 -3.6882 -3.6882 -2.3079 -2.3079 -1.7080 -1.7080 -1.6293 -1.6293 -1.5807 -1.5807 -0.4320 -0.4320 0.7091 0.7091 4.1115 4.1115 4.3036 4.3036 5.0032 5.0032 5.0123 5.0123 5.2330 5.2330 5.2645 5.2645 6.2311 6.2311 6.3189 6.3189 6.5130 6.5130 6.7951 6.7951 7.0201 7.0201 9.1733 9.1733 10.3495 10.3495 10.3669 10.3669 10.4326 10.4326 10.7969 10.7969 11.1196 11.1196 11.1419 11.1419 11.9074 11.9074 12.9793 12.9793 13.0573 13.0573 k = 0.0000 0.0000 0.0272 ( 4721 PWs) bands (ev): -17.0990 -17.0990 -17.0793 -17.0793 -3.9103 -3.9103 -3.6893 -3.6893 -2.3061 -2.3061 -1.7150 -1.7150 -1.6290 -1.6290 -1.5810 -1.5810 -0.4222 -0.4222 0.7038 0.7038 4.1125 4.1125 4.3025 4.3025 5.0043 5.0043 5.0135 5.0135 5.2317 5.2317 5.2622 5.2622 6.2325 6.2325 6.3198 6.3198 6.5112 6.5112 6.7737 6.7737 7.0502 7.0502 9.1581 9.1581 10.3536 10.3536 10.3705 10.3705 10.4399 10.4399 10.7960 10.7960 11.1136 11.1136 11.1362 11.1362 11.9158 11.9158 12.9859 12.9859 13.0620 13.0620 k = 0.0000 0.0000 0.0408 ( 4733 PWs) bands (ev): -17.0988 -17.0988 -17.0795 -17.0795 -3.9079 -3.9079 -3.6911 -3.6911 -2.3030 -2.3030 -1.7264 -1.7264 -1.6285 -1.6285 -1.5815 -1.5815 -0.4062 -0.4062 0.6951 0.6951 4.1143 4.1143 4.3007 4.3007 5.0060 5.0060 5.0155 5.0155 5.2296 5.2296 5.2585 5.2585 6.2350 6.2350 6.3214 6.3214 6.5082 6.5082 6.7462 6.7462 7.0920 7.0920 9.1334 9.1334 10.3604 10.3604 10.3765 10.3765 10.4514 10.4514 10.7945 10.7945 11.1038 11.1038 11.1267 11.1267 11.9297 11.9297 12.9968 12.9968 13.0697 13.0697 k = 0.0000 0.0000 0.0544 ( 4727 PWs) bands (ev): -17.0986 -17.0986 -17.0798 -17.0798 -3.9047 -3.9047 -3.6937 -3.6937 -2.2988 -2.2988 -1.7418 -1.7418 -1.6279 -1.6279 -1.5821 -1.5821 -0.3844 -0.3844 0.6830 0.6830 4.1168 4.1168 4.2981 4.2981 5.0083 5.0083 5.0183 5.0183 5.2266 5.2266 5.2533 5.2533 6.2384 6.2384 6.3236 6.3236 6.5041 6.5041 6.7168 6.7168 7.1413 7.1413 9.0999 9.0999 10.3697 10.3697 10.3848 10.3848 10.4665 10.4665 10.7924 10.7924 11.0904 11.0904 11.1138 11.1138 11.9492 11.9492 13.0120 13.0120 13.0805 13.0805 k = 0.0000 0.0000 0.0680 ( 4727 PWs) bands (ev): -17.0983 -17.0983 -17.0801 -17.0801 -3.9006 -3.9006 -3.6970 -3.6970 -2.2932 -2.2932 -1.7607 -1.7607 -1.6271 -1.6271 -1.5830 -1.5830 -0.3574 -0.3574 0.6675 0.6675 4.1200 4.1200 4.2948 4.2948 5.0113 5.0113 5.0219 5.0219 5.2229 5.2229 5.2469 5.2469 6.2427 6.2427 6.3265 6.3265 6.4989 6.4989 6.6875 6.6875 7.1960 7.1960 9.0584 9.0584 10.3817 10.3817 10.3955 10.3955 10.4841 10.4841 10.7897 10.7897 11.0736 11.0736 11.0977 11.0977 11.9742 11.9742 13.0316 13.0316 13.0945 13.0945 k = 0.0000 0.0000 0.0816 ( 4727 PWs) bands (ev): -17.0979 -17.0979 -17.0805 -17.0805 -3.8956 -3.8956 -3.7010 -3.7010 -2.2865 -2.2865 -1.7825 -1.7825 -1.6261 -1.6261 -1.5840 -1.5840 -0.3258 -0.3258 0.6487 0.6487 4.1238 4.1238 4.2908 4.2908 5.0150 5.0150 5.0261 5.0261 5.2184 5.2184 5.2393 5.2393 6.2479 6.2479 6.3300 6.3300 6.4927 6.4927 6.6591 6.6591 7.2548 7.2548 9.0101 9.0101 10.3961 10.3961 10.4083 10.4083 10.5035 10.5035 10.7865 10.7865 11.0537 11.0537 11.0787 11.0787 12.0047 12.0047 13.0554 13.0554 13.1116 13.1116 k = 0.0000 0.0000 0.0952 ( 4739 PWs) bands (ev): -17.0974 -17.0974 -17.0810 -17.0810 -3.8898 -3.8898 -3.7057 -3.7057 -2.2784 -2.2784 -1.8066 -1.8066 -1.6250 -1.6250 -1.5851 -1.5851 -0.2902 -0.2902 0.6267 0.6267 4.1282 4.1282 4.2862 4.2862 5.0194 5.0194 5.0311 5.0311 5.2132 5.2132 5.2307 5.2307 6.2540 6.2540 6.3341 6.3341 6.4854 6.4854 6.6320 6.6320 7.3172 7.3172 8.9557 8.9557 10.4129 10.4129 10.4233 10.4233 10.5238 10.5238 10.7827 10.7827 11.0312 11.0312 11.0570 11.0570 12.0404 12.0404 13.0836 13.0836 13.1318 13.1318 k = 0.0000 0.0000 0.1088 ( 4733 PWs) bands (ev): -17.0969 -17.0969 -17.0815 -17.0815 -3.8833 -3.8833 -3.7110 -3.7110 -2.2691 -2.2691 -1.8324 -1.8324 -1.6237 -1.6237 -1.5864 -1.5864 -0.2512 -0.2512 0.6017 0.6017 4.1333 4.1333 4.2810 4.2810 5.0243 5.0243 5.0368 5.0368 5.2073 5.2073 5.2213 5.2213 6.2609 6.2609 6.3389 6.3389 6.4773 6.4773 6.6065 6.6065 7.3828 7.3828 8.8960 8.8960 10.4319 10.4319 10.4404 10.4404 10.5443 10.5443 10.7784 10.7784 11.0063 11.0063 11.0329 11.0329 12.0814 12.0814 13.1159 13.1159 13.1552 13.1552 k = 0.0000 0.0000 0.1224 ( 4733 PWs) bands (ev): -17.0963 -17.0963 -17.0821 -17.0821 -3.8762 -3.8762 -3.7170 -3.7170 -2.2584 -2.2584 -1.8596 -1.8596 -1.6223 -1.6223 -1.5879 -1.5879 -0.2094 -0.2094 0.5737 0.5737 4.1389 4.1389 4.2752 4.2752 5.0299 5.0299 5.0430 5.0430 5.2008 5.2008 5.2112 5.2112 6.2687 6.2687 6.3444 6.3444 6.4683 6.4683 6.5825 6.5825 7.4511 7.4511 8.8320 8.8320 10.4530 10.4530 10.4594 10.4594 10.5643 10.5643 10.7736 10.7736 10.9795 10.9795 11.0069 11.0069 12.1275 12.1275 13.1525 13.1525 13.1818 13.1818 k = 0.0000 0.0000 0.1360 ( 4733 PWs) bands (ev): -17.0956 -17.0956 -17.0828 -17.0828 -3.8684 -3.8684 -3.7236 -3.7236 -2.2465 -2.2465 -1.8875 -1.8875 -1.6208 -1.6208 -1.5895 -1.5895 -0.1653 -0.1653 0.5430 0.5430 4.1450 4.1450 4.2690 4.2690 5.0361 5.0361 5.0499 5.0499 5.1937 5.1937 5.2005 5.2005 6.2772 6.2772 6.3505 6.3505 6.4585 6.4585 6.5600 6.5600 7.5219 7.5219 8.7642 8.7642 10.4761 10.4761 10.4803 10.4803 10.5835 10.5835 10.7683 10.7683 10.9510 10.9510 10.9791 10.9791 12.1783 12.1783 13.1933 13.1933 13.2114 13.2114 k = 0.0000 0.0000 0.1496 ( 4709 PWs) bands (ev): -17.0949 -17.0949 -17.0834 -17.0834 -3.8600 -3.8600 -3.7308 -3.7308 -2.2331 -2.2331 -1.9158 -1.9158 -1.6191 -1.6191 -1.5912 -1.5912 -0.1194 -0.1194 0.5096 0.5096 4.1516 4.1516 4.2622 4.2622 5.0429 5.0429 5.0572 5.0572 5.1861 5.1861 5.1895 5.1895 6.2864 6.2864 6.3573 6.3573 6.4481 6.4481 6.5389 6.5389 7.5949 7.5949 8.6932 8.6932 10.5009 10.5009 10.5029 10.5029 10.6016 10.6016 10.7627 10.7627 10.9212 10.9212 10.9499 10.9499 12.2338 12.2338 13.2384 13.2384 13.2434 13.2434 k = 0.0000 0.0000 0.1633 ( 4697 PWs) bands (ev): -17.0942 -17.0942 -17.0842 -17.0842 -3.8512 -3.8512 -3.7385 -3.7385 -2.2185 -2.2185 -1.9442 -1.9442 -1.6173 -1.6173 -1.5930 -1.5930 -0.0722 -0.0722 0.4737 0.4737 4.1586 4.1586 4.2550 4.2550 5.0503 5.0503 5.0649 5.0649 5.1781 5.1781 5.1782 5.1782 6.2962 6.2962 6.3648 6.3648 6.4372 6.4372 6.5192 6.5192 7.6699 7.6699 8.6195 8.6195 10.5271 10.5271 10.5272 10.5272 10.6184 10.6184 10.7567 10.7567 10.8903 10.8903 10.9196 10.9196 12.2935 12.2935 13.1951 13.1951 13.2811 13.2811 k = 0.0000 0.0000 0.1769 ( 4685 PWs) bands (ev): -17.0934 -17.0934 -17.0850 -17.0850 -3.8421 -3.8421 -3.7467 -3.7467 -2.2024 -2.2024 -1.9723 -1.9723 -1.6155 -1.6155 -1.5949 -1.5949 -0.0242 -0.0242 0.4356 0.4356 4.1660 4.1660 4.2475 4.2475 5.0581 5.0581 5.0729 5.0729 5.1670 5.1670 5.1697 5.1697 6.3066 6.3066 6.3730 6.3730 6.4257 6.4257 6.5008 6.5008 7.7466 7.7466 8.5437 8.5437 10.5528 10.5528 10.5548 10.5548 10.6338 10.6338 10.7505 10.7505 10.8588 10.8588 10.8884 10.8884 12.3571 12.3571 13.1172 13.1172 13.3200 13.3200 k = 0.0000 0.0000 0.1905 ( 4679 PWs) bands (ev): -17.0926 -17.0926 -17.0858 -17.0858 -3.8326 -3.8326 -3.7554 -3.7554 -2.1850 -2.1850 -2.0000 -2.0000 -1.6135 -1.6135 -1.5969 -1.5969 0.0244 0.0244 0.3953 0.3953 4.1737 4.1737 4.2397 4.2397 5.0664 5.0664 5.0811 5.0811 5.1559 5.1559 5.1611 5.1611 6.3176 6.3176 6.3819 6.3819 6.4139 6.4139 6.4836 6.4836 7.8247 7.8247 8.4661 8.4661 10.5799 10.5799 10.5833 10.5833 10.6477 10.6477 10.7441 10.7441 10.8268 10.8268 10.8568 10.8568 12.4243 12.4243 13.0379 13.0379 13.3622 13.3622 k = 0.0000 0.0000 0.2041 ( 4667 PWs) bands (ev): -17.0918 -17.0918 -17.0866 -17.0866 -3.8228 -3.8228 -3.7644 -3.7644 -2.1662 -2.1662 -2.0269 -2.0269 -1.6115 -1.6115 -1.5989 -1.5989 0.0732 0.0732 0.3532 0.3532 4.1817 4.1817 4.2316 4.2316 5.0751 5.0751 5.0892 5.0892 5.1452 5.1452 5.1523 5.1523 6.3290 6.3290 6.3916 6.3916 6.4018 6.4018 6.4675 6.4675 7.9039 7.9039 8.3871 8.3871 10.6082 10.6082 10.6121 10.6121 10.6600 10.6600 10.7381 10.7381 10.7946 10.7946 10.8251 10.8251 12.4946 12.4946 12.9580 12.9580 13.4072 13.4072 k = 0.0000 0.0000 0.2177 ( 4667 PWs) bands (ev): -17.0909 -17.0909 -17.0875 -17.0875 -3.8130 -3.8130 -3.7738 -3.7738 -2.1461 -2.1461 -2.0530 -2.0530 -1.6095 -1.6095 -1.6010 -1.6010 0.1219 0.1219 0.3094 0.3094 4.1899 4.1899 4.2233 4.2233 5.0839 5.0839 5.0965 5.0965 5.1358 5.1358 5.1438 5.1438 6.3407 6.3407 6.3896 6.3896 6.4020 6.4020 6.4525 6.4525 7.9840 7.9840 8.3072 8.3072 10.6375 10.6375 10.6400 10.6400 10.6702 10.6702 10.7333 10.7333 10.7623 10.7623 10.7941 10.7941 12.5676 12.5676 12.8781 12.8781 13.4548 13.4548 k = 0.0000 0.0000 0.2313 ( 4686 PWs) bands (ev): -17.0901 -17.0901 -17.0883 -17.0883 -3.8031 -3.8031 -3.7834 -3.7834 -2.1247 -2.1247 -2.0780 -2.0780 -1.6074 -1.6074 -1.6031 -1.6031 0.1701 0.1701 0.2641 0.2641 4.1982 4.1982 4.2150 4.2150 5.0924 5.0924 5.1009 5.1009 5.1296 5.1296 5.1358 5.1358 6.3527 6.3527 6.3772 6.3772 6.4133 6.4133 6.4385 6.4385 8.0647 8.0647 8.2266 8.2266 10.6638 10.6638 10.6677 10.6677 10.6770 10.6770 10.7303 10.7303 10.7328 10.7328 10.7653 10.7653 12.6429 12.6429 12.7986 12.7986 13.5045 13.5045 k = 0.0000 0.0000 0.2449 ( 4692 PWs) bands (ev): -17.0892 -17.0892 -17.0892 -17.0892 -3.7932 -3.7932 -3.7932 -3.7932 -2.1019 -2.1019 -2.1019 -2.1019 -1.6052 -1.6052 -1.6052 -1.6052 0.2176 0.2176 0.2176 0.2176 4.2066 4.2066 4.2066 4.2066 5.0992 5.0992 5.0992 5.0992 5.1300 5.1300 5.1300 5.1300 6.3649 6.3649 6.3649 6.3649 6.4255 6.4255 6.4255 6.4255 8.1456 8.1456 8.1456 8.1456 10.6768 10.6768 10.6768 10.6768 10.6987 10.6987 10.6987 10.6987 10.7428 10.7428 10.7428 10.7428 12.7200 12.7200 12.7200 12.7200 13.5558 13.5558 k = 0.0000 0.0000 0.2449 ( 4692 PWs) bands (ev): -17.0892 -17.0892 -17.0892 -17.0892 -3.7932 -3.7932 -3.7932 -3.7932 -2.1019 -2.1019 -2.1019 -2.1019 -1.6052 -1.6052 -1.6052 -1.6052 0.2176 0.2176 0.2176 0.2176 4.2066 4.2066 4.2066 4.2066 5.0992 5.0992 5.0992 5.0992 5.1300 5.1300 5.1300 5.1300 6.3649 6.3649 6.3649 6.3649 6.4255 6.4255 6.4255 6.4255 8.1456 8.1456 8.1456 8.1456 10.6768 10.6768 10.6768 10.6768 10.6987 10.6987 10.6987 10.6987 10.7428 10.7428 10.7428 10.7428 12.7200 12.7200 12.7200 12.7200 13.5558 13.5558 k = 0.0119 0.0069 0.2449 ( 4684 PWs) bands (ev): -17.0891 -17.0891 -17.0891 -17.0891 -3.7932 -3.7932 -3.7932 -3.7932 -2.1019 -2.1019 -2.1019 -2.1019 -1.6058 -1.6058 -1.6058 -1.6058 0.2180 0.2180 0.2180 0.2180 4.2070 4.2070 4.2070 4.2070 5.0985 5.0985 5.0985 5.0985 5.1310 5.1310 5.1310 5.1310 6.3622 6.3622 6.3622 6.3622 6.4282 6.4282 6.4282 6.4282 8.1473 8.1473 8.1473 8.1473 10.5738 10.5738 10.5738 10.5738 10.7059 10.7059 10.7060 10.7060 10.8325 10.8325 10.8325 10.8325 12.7168 12.7168 12.7168 12.7168 13.5569 13.5569 k = 0.0238 0.0137 0.2449 ( 4688 PWs) bands (ev): -17.0890 -17.0890 -17.0890 -17.0890 -3.7935 -3.7935 -3.7935 -3.7935 -2.1017 -2.1017 -2.1017 -2.1017 -1.6077 -1.6077 -1.6077 -1.6077 0.2195 0.2195 0.2195 0.2195 4.2081 4.2081 4.2081 4.2081 5.0966 5.0966 5.0966 5.0966 5.1340 5.1340 5.1340 5.1340 6.3553 6.3553 6.3553 6.3553 6.4352 6.4352 6.4352 6.4352 8.1521 8.1521 8.1521 8.1521 10.4469 10.4469 10.4469 10.4469 10.6966 10.6966 10.6966 10.6966 10.9505 10.9505 10.9505 10.9505 12.7073 12.7073 12.7073 12.7073 13.5595 13.5595 k = 0.0357 0.0206 0.2449 ( 4684 PWs) bands (ev): -17.0887 -17.0887 -17.0887 -17.0887 -3.7939 -3.7939 -3.7939 -3.7939 -2.1014 -2.1014 -2.1014 -2.1014 -1.6107 -1.6107 -1.6107 -1.6107 0.2218 0.2218 0.2218 0.2218 4.2101 4.2101 4.2101 4.2101 5.0938 5.0938 5.0938 5.0938 5.1383 5.1383 5.1383 5.1383 6.3460 6.3460 6.3460 6.3460 6.4446 6.4446 6.4446 6.4446 8.1601 8.1601 8.1601 8.1601 10.3168 10.3168 10.3168 10.3168 10.6803 10.6803 10.6803 10.6803 11.0666 11.0666 11.0666 11.0666 12.6924 12.6924 12.6924 12.6924 13.5622 13.5622 k = 0.0476 0.0275 0.2449 ( 4686 PWs) bands (ev): -17.0884 -17.0884 -17.0884 -17.0884 -3.7945 -3.7945 -3.7945 -3.7945 -2.1010 -2.1010 -2.1010 -2.1010 -1.6148 -1.6148 -1.6148 -1.6148 0.2251 0.2251 0.2251 0.2251 4.2128 4.2128 4.2128 4.2128 5.0907 5.0907 5.0907 5.0907 5.1437 5.1437 5.1437 5.1437 6.3356 6.3356 6.3356 6.3356 6.4551 6.4551 6.4551 6.4551 8.1712 8.1712 8.1712 8.1712 10.1848 10.1848 10.1848 10.1848 10.6577 10.6577 10.6577 10.6577 11.1793 11.1793 11.1793 11.1793 12.6729 12.6729 12.6729 12.6729 13.5628 13.5628 k = 0.0595 0.0344 0.2449 ( 4686 PWs) bands (ev): -17.0879 -17.0879 -17.0879 -17.0879 -3.7952 -3.7952 -3.7952 -3.7952 -2.1005 -2.1005 -2.1005 -2.1005 -1.6201 -1.6201 -1.6201 -1.6201 0.2293 0.2293 0.2293 0.2293 4.2162 4.2162 4.2162 4.2162 5.0873 5.0873 5.0873 5.0873 5.1500 5.1500 5.1500 5.1500 6.3248 6.3248 6.3248 6.3248 6.4662 6.4662 6.4662 6.4662 8.1852 8.1852 8.1852 8.1852 10.0514 10.0514 10.0514 10.0514 10.6289 10.6289 10.6289 10.6289 11.2880 11.2880 11.2880 11.2880 12.6501 12.6501 12.6501 12.6501 13.5577 13.5577 k = 0.0714 0.0412 0.2449 ( 4680 PWs) bands (ev): -17.0873 -17.0873 -17.0873 -17.0873 -3.7962 -3.7962 -3.7962 -3.7962 -2.1000 -2.1000 -2.1000 -2.1000 -1.6264 -1.6264 -1.6264 -1.6264 0.2342 0.2342 0.2342 0.2342 4.2204 4.2204 4.2204 4.2204 5.0839 5.0839 5.0839 5.0839 5.1571 5.1571 5.1571 5.1571 6.3138 6.3138 6.3138 6.3138 6.4775 6.4775 6.4775 6.4775 8.2019 8.2019 8.2019 8.2019 9.9173 9.9173 9.9173 9.9173 10.5944 10.5944 10.5944 10.5944 11.3922 11.3922 11.3922 11.3922 12.6247 12.6247 12.6247 12.6247 13.5418 13.5418 k = 0.0833 0.0481 0.2449 ( 4676 PWs) bands (ev): -17.0867 -17.0867 -17.0867 -17.0867 -3.7973 -3.7973 -3.7973 -3.7973 -2.0993 -2.0993 -2.0993 -2.0993 -1.6336 -1.6336 -1.6336 -1.6336 0.2400 0.2400 0.2400 0.2400 4.2254 4.2254 4.2254 4.2254 5.0805 5.0805 5.0805 5.0805 5.1649 5.1649 5.1649 5.1649 6.3030 6.3030 6.3030 6.3030 6.4887 6.4887 6.4887 6.4887 8.2210 8.2210 8.2210 8.2210 9.7829 9.7829 9.7829 9.7829 10.5545 10.5545 10.5545 10.5545 11.4913 11.4913 11.4913 11.4913 12.5977 12.5977 12.5977 12.5977 13.5142 13.5142 k = 0.0952 0.0550 0.2449 ( 4686 PWs) bands (ev): -17.0859 -17.0859 -17.0859 -17.0859 -3.7986 -3.7986 -3.7986 -3.7986 -2.0985 -2.0985 -2.0985 -2.0985 -1.6416 -1.6416 -1.6416 -1.6416 0.2465 0.2465 0.2465 0.2465 4.2311 4.2311 4.2311 4.2311 5.0771 5.0771 5.0771 5.0771 5.1733 5.1733 5.1733 5.1733 6.2925 6.2925 6.2925 6.2925 6.4997 6.4997 6.4997 6.4997 8.2422 8.2422 8.2422 8.2422 9.6489 9.6489 9.6489 9.6489 10.5095 10.5095 10.5095 10.5095 11.5848 11.5848 11.5848 11.5848 12.5695 12.5695 12.5695 12.5695 13.4801 13.4801 k = 0.1071 0.0619 0.2449 ( 4694 PWs) bands (ev): -17.0851 -17.0851 -17.0851 -17.0851 -3.8000 -3.8000 -3.8000 -3.8000 -2.0977 -2.0977 -2.0977 -2.0977 -1.6504 -1.6504 -1.6504 -1.6504 0.2536 0.2536 0.2536 0.2536 4.2376 4.2376 4.2376 4.2376 5.0738 5.0738 5.0738 5.0738 5.1825 5.1825 5.1825 5.1825 6.2823 6.2823 6.2823 6.2823 6.5104 6.5104 6.5104 6.5104 8.2650 8.2650 8.2650 8.2650 9.5159 9.5159 9.5159 9.5159 10.4598 10.4598 10.4598 10.4598 11.6717 11.6717 11.6717 11.6717 12.5410 12.5410 12.5410 12.5410 13.4449 13.4449 k = 0.1190 0.0687 0.2449 ( 4698 PWs) bands (ev): -17.0841 -17.0841 -17.0841 -17.0841 -3.8017 -3.8017 -3.8017 -3.8017 -2.0969 -2.0969 -2.0969 -2.0969 -1.6597 -1.6597 -1.6597 -1.6597 0.2614 0.2614 0.2614 0.2614 4.2447 4.2447 4.2447 4.2447 5.0706 5.0706 5.0706 5.0706 5.1923 5.1923 5.1923 5.1923 6.2725 6.2725 6.2725 6.2725 6.5208 6.5208 6.5208 6.5208 8.2887 8.2887 8.2887 8.2887 9.3848 9.3848 9.3848 9.3848 10.4060 10.4060 10.4060 10.4060 11.7507 11.7507 11.7507 11.7507 12.5129 12.5129 12.5129 12.5129 13.4132 13.4132 k = 0.1310 0.0756 0.2449 ( 4698 PWs) bands (ev): -17.0831 -17.0831 -17.0831 -17.0831 -3.8036 -3.8036 -3.8036 -3.8036 -2.0961 -2.0961 -2.0961 -2.0961 -1.6696 -1.6696 -1.6696 -1.6696 0.2696 0.2696 0.2696 0.2696 4.2526 4.2526 4.2526 4.2526 5.0676 5.0676 5.0676 5.0676 5.2028 5.2028 5.2028 5.2028 6.2633 6.2633 6.2633 6.2633 6.5307 6.5307 6.5307 6.5307 8.3123 8.3123 8.3123 8.3123 9.2566 9.2566 9.2566 9.2566 10.3484 10.3484 10.3484 10.3484 11.8197 11.8197 11.8197 11.8197 12.4870 12.4870 12.4870 12.4870 13.3879 13.3879 k = 0.1429 0.0825 0.2449 ( 4710 PWs) bands (ev): -17.0820 -17.0820 -17.0820 -17.0820 -3.8057 -3.8057 -3.8057 -3.8057 -2.0952 -2.0952 -2.0952 -2.0952 -1.6798 -1.6798 -1.6798 -1.6798 0.2784 0.2784 0.2784 0.2784 4.2612 4.2612 4.2612 4.2612 5.0648 5.0648 5.0648 5.0648 5.2139 5.2139 5.2139 5.2139 6.2545 6.2545 6.2545 6.2545 6.5402 6.5402 6.5402 6.5402 8.3342 8.3342 8.3342 8.3342 9.1332 9.1332 9.1332 9.1332 10.2874 10.2874 10.2874 10.2874 11.8761 11.8761 11.8761 11.8761 12.4654 12.4654 12.4654 12.4654 13.3714 13.3714 k = 0.1548 0.0894 0.2449 ( 4718 PWs) bands (ev): -17.0809 -17.0809 -17.0809 -17.0809 -3.8080 -3.8080 -3.8080 -3.8080 -2.0945 -2.0945 -2.0945 -2.0945 -1.6903 -1.6903 -1.6903 -1.6903 0.2875 0.2875 0.2875 0.2875 4.2705 4.2705 4.2705 4.2705 5.0621 5.0621 5.0621 5.0621 5.2256 5.2256 5.2256 5.2256 6.2462 6.2462 6.2462 6.2462 6.5492 6.5492 6.5492 6.5492 8.3517 8.3517 8.3517 8.3517 9.0174 9.0174 9.0174 9.0174 10.2237 10.2237 10.2237 10.2237 11.9166 11.9166 11.9166 11.9166 12.4513 12.4513 12.4513 12.4513 13.3653 13.3653 k = 0.1667 0.0962 0.2449 ( 4710 PWs) bands (ev): -17.0797 -17.0797 -17.0797 -17.0797 -3.8104 -3.8104 -3.8104 -3.8104 -2.0938 -2.0938 -2.0938 -2.0938 -1.7008 -1.7008 -1.7008 -1.7008 0.2970 0.2970 0.2970 0.2970 4.2805 4.2805 4.2805 4.2805 5.0597 5.0597 5.0597 5.0597 5.2379 5.2379 5.2379 5.2379 6.2385 6.2385 6.2385 6.2385 6.5576 6.5576 6.5576 6.5576 8.3598 8.3598 8.3598 8.3598 8.9141 8.9141 8.9141 8.9141 10.1575 10.1575 10.1575 10.1575 11.9380 11.9380 11.9380 11.9380 12.4478 12.4478 12.4478 12.4478 13.3706 13.3706 k = 0.1786 0.1031 0.2449 ( 4706 PWs) bands (ev): -17.0784 -17.0784 -17.0784 -17.0784 -3.8131 -3.8131 -3.8131 -3.8131 -2.0932 -2.0932 -2.0932 -2.0932 -1.7114 -1.7114 -1.7114 -1.7114 0.3068 0.3068 0.3068 0.3068 4.2911 4.2911 4.2911 4.2911 5.0575 5.0575 5.0575 5.0575 5.2508 5.2508 5.2508 5.2508 6.2313 6.2313 6.2313 6.2313 6.5654 6.5654 6.5654 6.5654 8.3507 8.3507 8.3507 8.3507 8.8313 8.8313 8.8313 8.8313 10.0893 10.0893 10.0893 10.0893 11.9396 11.9396 11.9396 11.9396 12.4560 12.4560 12.4560 12.4560 13.3877 13.3877 k = 0.1905 0.1100 0.2449 ( 4710 PWs) bands (ev): -17.0771 -17.0771 -17.0771 -17.0771 -3.8160 -3.8160 -3.8160 -3.8160 -2.0928 -2.0928 -2.0928 -2.0928 -1.7217 -1.7217 -1.7217 -1.7217 0.3168 0.3168 0.3168 0.3168 4.3025 4.3025 4.3025 4.3025 5.0556 5.0556 5.0556 5.0556 5.2641 5.2641 5.2641 5.2641 6.2246 6.2246 6.2246 6.2246 6.5727 6.5727 6.5727 6.5727 8.3151 8.3151 8.3151 8.3151 8.7782 8.7782 8.7782 8.7782 10.0195 10.0195 10.0195 10.0195 11.9233 11.9233 11.9233 11.9233 12.4744 12.4744 12.4744 12.4744 13.4166 13.4166 k = 0.2024 0.1168 0.2449 ( 4718 PWs) bands (ev): -17.0758 -17.0758 -17.0758 -17.0758 -3.8191 -3.8191 -3.8191 -3.8191 -2.0926 -2.0926 -2.0926 -2.0926 -1.7318 -1.7318 -1.7318 -1.7318 0.3269 0.3269 0.3269 0.3269 4.3146 4.3146 4.3146 4.3146 5.0538 5.0538 5.0538 5.0538 5.2780 5.2780 5.2780 5.2780 6.2184 6.2184 6.2184 6.2184 6.5793 6.5793 6.5793 6.5793 8.2507 8.2507 8.2507 8.2507 8.7574 8.7574 8.7574 8.7574 9.9485 9.9485 9.9485 9.9485 11.8933 11.8933 11.8933 11.8933 12.4996 12.4996 12.4996 12.4996 13.4568 13.4568 k = 0.2143 0.1237 0.2449 ( 4706 PWs) bands (ev): -17.0744 -17.0744 -17.0744 -17.0744 -3.8223 -3.8223 -3.8223 -3.8223 -2.0926 -2.0926 -2.0926 -2.0926 -1.7415 -1.7415 -1.7415 -1.7415 0.3372 0.3372 0.3372 0.3372 4.3274 4.3274 4.3274 4.3274 5.0523 5.0523 5.0523 5.0523 5.2922 5.2922 5.2922 5.2922 6.2127 6.2127 6.2127 6.2127 6.5853 6.5853 6.5853 6.5853 8.1647 8.1647 8.1647 8.1647 8.7616 8.7616 8.7616 8.7616 9.8767 9.8767 9.8767 9.8767 11.8542 11.8542 11.8542 11.8542 12.5282 12.5282 12.5282 12.5282 13.5074 13.5074 k = 0.2262 0.1306 0.2449 ( 4708 PWs) bands (ev): -17.0730 -17.0730 -17.0730 -17.0730 -3.8257 -3.8257 -3.8257 -3.8257 -2.0930 -2.0930 -2.0930 -2.0930 -1.7506 -1.7506 -1.7506 -1.7506 0.3475 0.3475 0.3475 0.3475 4.3410 4.3410 4.3410 4.3410 5.0511 5.0511 5.0511 5.0511 5.3066 5.3066 5.3066 5.3066 6.2075 6.2075 6.2075 6.2075 6.5906 6.5906 6.5906 6.5906 8.0666 8.0666 8.0666 8.0666 8.7813 8.7813 8.7813 8.7813 9.8046 9.8046 9.8046 9.8046 11.8092 11.8092 11.8092 11.8092 12.5580 12.5580 12.5580 12.5580 13.5673 13.5673 k = 0.2381 0.1375 0.2449 ( 4712 PWs) bands (ev): -17.0716 -17.0716 -17.0716 -17.0716 -3.8293 -3.8293 -3.8293 -3.8293 -2.0937 -2.0937 -2.0937 -2.0937 -1.7592 -1.7592 -1.7592 -1.7592 0.3579 0.3579 0.3579 0.3579 4.3552 4.3552 4.3552 4.3552 5.0500 5.0500 5.0500 5.0500 5.3213 5.3213 5.3213 5.3213 6.2027 6.2027 6.2027 6.2027 6.5953 6.5953 6.5953 6.5953 7.9629 7.9629 7.9629 7.9629 8.8100 8.8100 8.8100 8.8100 9.7324 9.7324 9.7324 9.7324 11.7610 11.7610 11.7610 11.7610 12.5873 12.5873 12.5873 12.5873 13.6353 13.6353 k = 0.2500 0.1443 0.2449 ( 4704 PWs) bands (ev): -17.0702 -17.0702 -17.0702 -17.0702 -3.8330 -3.8330 -3.8330 -3.8330 -2.0948 -2.0948 -2.0948 -2.0948 -1.7671 -1.7671 -1.7671 -1.7671 0.3682 0.3682 0.3682 0.3682 4.3703 4.3703 4.3703 4.3703 5.0491 5.0491 5.0491 5.0491 5.3361 5.3361 5.3361 5.3361 6.1983 6.1983 6.1983 6.1983 6.5993 6.5993 6.5993 6.5993 7.8574 7.8574 7.8574 7.8574 8.8438 8.8438 8.8438 8.8438 9.6605 9.6605 9.6605 9.6605 11.7114 11.7114 11.7114 11.7114 12.6154 12.6154 12.6154 12.6154 13.7101 13.7101 k = 0.2619 0.1512 0.2449 ( 4704 PWs) bands (ev): -17.0687 -17.0687 -17.0687 -17.0687 -3.8368 -3.8368 -3.8368 -3.8368 -2.0962 -2.0962 -2.0962 -2.0962 -1.7742 -1.7742 -1.7742 -1.7742 0.3784 0.3784 0.3784 0.3784 4.3860 4.3860 4.3860 4.3860 5.0483 5.0483 5.0483 5.0483 5.3509 5.3509 5.3509 5.3509 6.1943 6.1943 6.1943 6.1943 6.6027 6.6027 6.6027 6.6027 7.7523 7.7523 7.7523 7.7523 8.8805 8.8805 8.8805 8.8805 9.5894 9.5894 9.5894 9.5894 11.6618 11.6618 11.6618 11.6618 12.6420 12.6420 12.6420 12.6420 13.7905 13.7905 k = 0.2738 0.1581 0.2449 ( 4696 PWs) bands (ev): -17.0673 -17.0673 -17.0673 -17.0673 -3.8407 -3.8407 -3.8407 -3.8407 -2.0981 -2.0981 -2.0981 -2.0981 -1.7805 -1.7805 -1.7805 -1.7805 0.3885 0.3885 0.3885 0.3885 4.4025 4.4025 4.4025 4.4025 5.0475 5.0475 5.0475 5.0475 5.3654 5.3654 5.3654 5.3654 6.1906 6.1906 6.1906 6.1906 6.6054 6.6054 6.6054 6.6054 7.6491 7.6491 7.6491 7.6491 8.9186 8.9186 8.9186 8.9186 9.5196 9.5196 9.5196 9.5196 11.6129 11.6129 11.6129 11.6129 12.6667 12.6667 12.6667 12.6667 13.8754 13.8754 k = 0.2857 0.1650 0.2449 ( 4694 PWs) bands (ev): -17.0659 -17.0659 -17.0659 -17.0659 -3.8447 -3.8447 -3.8447 -3.8447 -2.1003 -2.1003 -2.1003 -2.1003 -1.7859 -1.7859 -1.7859 -1.7859 0.3984 0.3984 0.3984 0.3984 4.4198 4.4198 4.4198 4.4198 5.0469 5.0469 5.0469 5.0469 5.3796 5.3796 5.3796 5.3796 6.1873 6.1873 6.1873 6.1873 6.6076 6.6076 6.6076 6.6076 7.5486 7.5486 7.5486 7.5486 8.9568 8.9568 8.9568 8.9568 9.4516 9.4516 9.4516 9.4516 11.5657 11.5657 11.5657 11.5657 12.6895 12.6895 12.6895 12.6895 13.9636 13.9636 k = 0.2976 0.1718 0.2449 ( 4692 PWs) bands (ev): -17.0645 -17.0645 -17.0645 -17.0645 -3.8487 -3.8487 -3.8487 -3.8487 -2.1029 -2.1029 -2.1029 -2.1029 -1.7906 -1.7906 -1.7906 -1.7906 0.4082 0.4082 0.4082 0.4082 4.4378 4.4378 4.4378 4.4378 5.0462 5.0462 5.0462 5.0462 5.3932 5.3932 5.3932 5.3932 6.1843 6.1843 6.1843 6.1843 6.6091 6.6091 6.6091 6.6091 7.4515 7.4515 7.4515 7.4515 8.9941 8.9941 8.9941 8.9941 9.3863 9.3863 9.3863 9.3863 11.5205 11.5205 11.5205 11.5205 12.7102 12.7102 12.7102 12.7102 14.0542 14.0542 k = 0.3095 0.1787 0.2449 ( 4704 PWs) bands (ev): -17.0632 -17.0632 -17.0632 -17.0632 -3.8527 -3.8527 -3.8527 -3.8527 -2.1059 -2.1059 -2.1059 -2.1059 -1.7944 -1.7944 -1.7944 -1.7944 0.4177 0.4177 0.4177 0.4177 4.4566 4.4566 4.4566 4.4566 5.0454 5.0454 5.0454 5.0454 5.4061 5.4061 5.4061 5.4061 6.1817 6.1817 6.1817 6.1817 6.6101 6.6102 6.6102 6.6102 7.3584 7.3584 7.3584 7.3584 9.0284 9.0284 9.0284 9.0284 9.3253 9.3253 9.3253 9.3253 11.4778 11.4778 11.4778 11.4778 12.7287 12.7287 12.7287 12.7287 14.1463 14.1463 k = 0.3214 0.1856 0.2449 ( 4700 PWs) bands (ev): -17.0618 -17.0618 -17.0618 -17.0618 -3.8566 -3.8566 -3.8566 -3.8566 -2.1091 -2.1091 -2.1091 -2.1091 -1.7975 -1.7975 -1.7975 -1.7975 0.4269 0.4269 0.4269 0.4269 4.4760 4.4760 4.4760 4.4760 5.0445 5.0445 5.0445 5.0445 5.4179 5.4179 5.4179 5.4179 6.1794 6.1794 6.1794 6.1794 6.6107 6.6107 6.6107 6.6107 7.2697 7.2697 7.2697 7.2697 9.0563 9.0563 9.0563 9.0563 9.2722 9.2722 9.2722 9.2722 11.4379 11.4379 11.4379 11.4379 12.7448 12.7448 12.7448 12.7448 14.2390 14.2390 k = 0.3333 0.1925 0.2449 ( 4704 PWs) bands (ev): -17.0606 -17.0606 -17.0606 -17.0606 -3.8606 -3.8606 -3.8606 -3.8606 -2.1126 -2.1126 -2.1126 -2.1126 -1.7999 -1.7999 -1.7999 -1.7999 0.4358 0.4358 0.4358 0.4358 4.4962 4.4962 4.4962 4.4962 5.0435 5.0435 5.0435 5.0435 5.4285 5.4285 5.4285 5.4285 6.1774 6.1774 6.1774 6.1774 6.6107 6.6107 6.6107 6.6107 7.1859 7.1859 7.1859 7.1859 9.0691 9.0691 9.0691 9.0691 9.2353 9.2353 9.2353 9.2353 11.4009 11.4009 11.4009 11.4009 12.7586 12.7586 12.7586 12.7586 14.3314 14.3314 k = 0.3452 0.1993 0.2449 ( 4696 PWs) bands (ev): -17.0594 -17.0594 -17.0594 -17.0594 -3.8644 -3.8644 -3.8644 -3.8644 -2.1162 -2.1162 -2.1162 -2.1162 -1.8017 -1.8017 -1.8017 -1.8017 0.4443 0.4443 0.4443 0.4443 4.5169 4.5169 4.5169 4.5169 5.0422 5.0422 5.0422 5.0422 5.4377 5.4377 5.4377 5.4377 6.1757 6.1757 6.1757 6.1757 6.6102 6.6102 6.6102 6.6102 7.1074 7.1074 7.1074 7.1074 9.0554 9.0554 9.0554 9.0554 9.2260 9.2260 9.2260 9.2260 11.3671 11.3671 11.3671 11.3671 12.7699 12.7699 12.7699 12.7699 14.4229 14.4229 k = 0.3571 0.2062 0.2449 ( 4692 PWs) bands (ev): -17.0582 -17.0582 -17.0582 -17.0582 -3.8681 -3.8681 -3.8681 -3.8681 -2.1200 -2.1200 -2.1200 -2.1200 -1.8028 -1.8028 -1.8028 -1.8028 0.4524 0.4524 0.4524 0.4524 4.5381 4.5381 4.5381 4.5381 5.0406 5.0406 5.0406 5.0406 5.4452 5.4452 5.4452 5.4452 6.1744 6.1744 6.1744 6.1744 6.6094 6.6094 6.6094 6.6094 7.0346 7.0346 7.0346 7.0346 9.0196 9.0196 9.0196 9.0196 9.2401 9.2401 9.2401 9.2401 11.3364 11.3364 11.3364 11.3364 12.7787 12.7787 12.7787 12.7787 14.5124 14.5124 k = 0.3690 0.2131 0.2449 ( 4690 PWs) bands (ev): -17.0571 -17.0571 -17.0571 -17.0571 -3.8716 -3.8716 -3.8716 -3.8716 -2.1237 -2.1237 -2.1237 -2.1237 -1.8036 -1.8036 -1.8036 -1.8036 0.4600 0.4600 0.4600 0.4600 4.5598 4.5598 4.5598 4.5598 5.0387 5.0387 5.0387 5.0387 5.4510 5.4510 5.4510 5.4510 6.1734 6.1734 6.1734 6.1734 6.6081 6.6081 6.6081 6.6081 6.9676 6.9676 6.9676 6.9676 8.9753 8.9753 8.9753 8.9753 9.2638 9.2638 9.2638 9.2638 11.3090 11.3090 11.3090 11.3090 12.7852 12.7852 12.7852 12.7852 14.5991 14.5991 k = 0.3810 0.2199 0.2449 ( 4686 PWs) bands (ev): -17.0561 -17.0561 -17.0561 -17.0561 -3.8750 -3.8750 -3.8750 -3.8750 -2.1274 -2.1274 -2.1274 -2.1274 -1.8039 -1.8039 -1.8039 -1.8039 0.4672 0.4672 0.4672 0.4672 4.5817 4.5817 4.5817 4.5817 5.0364 5.0364 5.0364 5.0364 5.4548 5.4548 5.4548 5.4548 6.1727 6.1727 6.1727 6.1727 6.6064 6.6064 6.6064 6.6064 6.9069 6.9069 6.9069 6.9069 8.9297 8.9297 8.9297 8.9297 9.2901 9.2901 9.2901 9.2901 11.2847 11.2847 11.2847 11.2847 12.7894 12.7894 12.7894 12.7894 14.6822 14.6822 k = 0.3929 0.2268 0.2449 ( 4684 PWs) bands (ev): -17.0552 -17.0552 -17.0552 -17.0552 -3.8781 -3.8781 -3.8781 -3.8781 -2.1309 -2.1309 -2.1309 -2.1309 -1.8039 -1.8039 -1.8039 -1.8039 0.4738 0.4738 0.4738 0.4738 4.6037 4.6037 4.6037 4.6037 5.0337 5.0337 5.0337 5.0337 5.4566 5.4566 5.4566 5.4566 6.1724 6.1724 6.1724 6.1724 6.6044 6.6044 6.6044 6.6044 6.8527 6.8527 6.8527 6.8527 8.8855 8.8855 8.8855 8.8855 9.3162 9.3162 9.3162 9.3162 11.2635 11.2635 11.2635 11.2635 12.7916 12.7916 12.7916 12.7916 14.7606 14.7606 k = 0.4048 0.2337 0.2449 ( 4680 PWs) bands (ev): -17.0543 -17.0543 -17.0543 -17.0543 -3.8810 -3.8810 -3.8810 -3.8810 -2.1343 -2.1343 -2.1343 -2.1343 -1.8037 -1.8037 -1.8037 -1.8037 0.4799 0.4799 0.4799 0.4799 4.6255 4.6255 4.6255 4.6255 5.0305 5.0305 5.0305 5.0305 5.4567 5.4567 5.4567 5.4567 6.1724 6.1724 6.1724 6.1724 6.6018 6.6018 6.6018 6.6018 6.8051 6.8051 6.8051 6.8051 8.8442 8.8442 8.8442 8.8442 9.3408 9.3408 9.3408 9.3408 11.2453 11.2453 11.2453 11.2453 12.7920 12.7920 12.7920 12.7920 14.8334 14.8334 k = 0.4167 0.2406 0.2449 ( 4674 PWs) bands (ev): -17.0535 -17.0535 -17.0535 -17.0535 -3.8836 -3.8836 -3.8836 -3.8836 -2.1374 -2.1374 -2.1374 -2.1374 -1.8034 -1.8034 -1.8034 -1.8034 0.4854 0.4854 0.4854 0.4854 4.6468 4.6468 4.6468 4.6468 5.0269 5.0269 5.0269 5.0269 5.4551 5.4551 5.4551 5.4551 6.1727 6.1727 6.1727 6.1727 6.5987 6.5987 6.5987 6.5987 6.7643 6.7643 6.7643 6.7643 8.8066 8.8066 8.8066 8.8066 9.3632 9.3632 9.3632 9.3632 11.2299 11.2299 11.2299 11.2299 12.7911 12.7911 12.7911 12.7911 14.8996 14.8996 k = 0.4286 0.2474 0.2449 ( 4670 PWs) bands (ev): -17.0529 -17.0529 -17.0529 -17.0529 -3.8860 -3.8860 -3.8860 -3.8860 -2.1402 -2.1402 -2.1402 -2.1402 -1.8029 -1.8029 -1.8029 -1.8029 0.4902 0.4902 0.4902 0.4902 4.6672 4.6672 4.6672 4.6672 5.0229 5.0229 5.0229 5.0229 5.4523 5.4523 5.4523 5.4523 6.1732 6.1732 6.1732 6.1732 6.5949 6.5949 6.5949 6.5949 6.7304 6.7304 6.7304 6.7304 8.7731 8.7731 8.7731 8.7731 9.3831 9.3831 9.3831 9.3831 11.2172 11.2172 11.2172 11.2172 12.7892 12.7892 12.7892 12.7892 14.9584 14.9584 k = 0.4405 0.2543 0.2449 ( 4668 PWs) bands (ev): -17.0523 -17.0523 -17.0523 -17.0523 -3.8880 -3.8880 -3.8880 -3.8880 -2.1426 -2.1426 -2.1426 -2.1426 -1.8024 -1.8024 -1.8024 -1.8024 0.4943 0.4943 0.4943 0.4943 4.6862 4.6862 4.6862 4.6862 5.0187 5.0187 5.0187 5.0187 5.4486 5.4486 5.4486 5.4486 6.1739 6.1739 6.1739 6.1739 6.5905 6.5905 6.5905 6.5905 6.7034 6.7034 6.7034 6.7034 8.7441 8.7441 8.7441 8.7441 9.4003 9.4003 9.4003 9.4003 11.2069 11.2069 11.2069 11.2069 12.7866 12.7866 12.7866 12.7866 15.0090 15.0090 k = 0.4524 0.2612 0.2449 ( 4668 PWs) bands (ev): -17.0518 -17.0518 -17.0518 -17.0518 -3.8896 -3.8896 -3.8896 -3.8896 -2.1447 -2.1447 -2.1447 -2.1447 -1.8020 -1.8020 -1.8020 -1.8020 0.4977 0.4977 0.4977 0.4977 4.7032 4.7032 4.7032 4.7032 5.0144 5.0144 5.0144 5.0144 5.4445 5.4445 5.4445 5.4445 6.1746 6.1746 6.1746 6.1746 6.5854 6.5854 6.5854 6.5854 6.6830 6.6830 6.6830 6.6830 8.7200 8.7200 8.7200 8.7200 9.4145 9.4145 9.4145 9.4145 11.1988 11.1988 11.1988 11.1988 12.7839 12.7839 12.7839 12.7839 15.0509 15.0509 k = 0.4643 0.2681 0.2449 ( 4672 PWs) bands (ev): -17.0514 -17.0514 -17.0514 -17.0514 -3.8909 -3.8909 -3.8909 -3.8909 -2.1463 -2.1463 -2.1463 -2.1463 -1.8016 -1.8016 -1.8016 -1.8016 0.5004 0.5004 0.5004 0.5004 4.7176 4.7176 4.7176 4.7176 5.0104 5.0104 5.0104 5.0104 5.4407 5.4407 5.4407 5.4407 6.1753 6.1753 6.1753 6.1753 6.5802 6.5802 6.5802 6.5802 6.6686 6.6686 6.6686 6.6686 8.7010 8.7010 8.7010 8.7010 9.4257 9.4257 9.4257 9.4257 11.1927 11.1927 11.1927 11.1927 12.7814 12.7814 12.7814 12.7814 15.0837 15.0837 k = 0.4762 0.2749 0.2449 ( 4656 PWs) bands (ev): -17.0512 -17.0512 -17.0512 -17.0512 -3.8919 -3.8919 -3.8919 -3.8919 -2.1475 -2.1475 -2.1475 -2.1475 -1.8013 -1.8013 -1.8013 -1.8013 0.5024 0.5024 0.5024 0.5024 4.7286 4.7286 4.7286 4.7286 5.0071 5.0071 5.0071 5.0071 5.4375 5.4375 5.4375 5.4375 6.1758 6.1758 6.1758 6.1758 6.5756 6.5756 6.5756 6.5756 6.6593 6.6593 6.6593 6.6593 8.6873 8.6873 8.6873 8.6873 9.4337 9.4337 9.4337 9.4337 11.1885 11.1885 11.1885 11.1885 12.7793 12.7793 12.7793 12.7793 15.1072 15.1072 k = 0.4881 0.2818 0.2449 ( 4652 PWs) bands (ev): -17.0510 -17.0510 -17.0510 -17.0510 -3.8925 -3.8925 -3.8925 -3.8925 -2.1482 -2.1482 -2.1482 -2.1482 -1.8011 -1.8011 -1.8011 -1.8011 0.5035 0.5035 0.5035 0.5035 4.7355 4.7355 4.7355 4.7355 5.0049 5.0049 5.0049 5.0049 5.4355 5.4355 5.4355 5.4355 6.1762 6.1762 6.1762 6.1762 6.5725 6.5725 6.5725 6.5725 6.6542 6.6542 6.6542 6.6542 8.6790 8.6790 8.6790 8.6790 9.4385 9.4385 9.4385 9.4385 11.1860 11.1860 11.1860 11.1860 12.7780 12.7780 12.7780 12.7780 15.1213 15.1213 k = 0.5000 0.2887 0.2449 ( 4648 PWs) bands (ev): -17.0510 -17.0510 -17.0510 -17.0510 -3.8927 -3.8927 -3.8927 -3.8927 -2.1484 -2.1484 -2.1484 -2.1484 -1.8010 -1.8010 -1.8010 -1.8010 0.5039 0.5039 0.5039 0.5039 4.7379 4.7379 4.7379 4.7379 5.0041 5.0041 5.0041 5.0041 5.4347 5.4347 5.4347 5.4347 6.1763 6.1763 6.1763 6.1763 6.5714 6.5714 6.5714 6.5714 6.6526 6.6526 6.6526 6.6526 8.6762 8.6762 8.6762 8.6762 9.4401 9.4401 9.4401 9.4401 11.1852 11.1852 11.1852 11.1852 12.7775 12.7775 12.7775 12.7775 15.1260 15.1260 k = 0.5000 0.2887 0.2449 ( 4648 PWs) bands (ev): -17.0510 -17.0510 -17.0510 -17.0510 -3.8927 -3.8927 -3.8927 -3.8927 -2.1484 -2.1484 -2.1484 -2.1484 -1.8010 -1.8010 -1.8010 -1.8010 0.5039 0.5039 0.5039 0.5039 4.7379 4.7379 4.7379 4.7379 5.0041 5.0041 5.0041 5.0041 5.4347 5.4347 5.4347 5.4347 6.1763 6.1763 6.1763 6.1763 6.5714 6.5714 6.5714 6.5714 6.6526 6.6526 6.6526 6.6526 8.6762 8.6762 8.6762 8.6762 9.4401 9.4401 9.4401 9.4401 11.1852 11.1852 11.1852 11.1852 12.7775 12.7775 12.7775 12.7775 15.1260 15.1260 k = 0.4931 0.3007 0.2449 ( 4664 PWs) bands (ev): -17.0510 -17.0510 -17.0509 -17.0509 -3.8927 -3.8927 -3.8926 -3.8926 -2.1495 -2.1495 -2.1469 -2.1469 -1.8016 -1.8016 -1.8014 -1.8014 0.5011 0.5011 0.5075 0.5075 4.7342 4.7342 4.7406 4.7406 4.9794 4.9794 5.0302 5.0302 5.4250 5.4250 5.4444 5.4444 6.1685 6.1685 6.1839 6.1839 6.5599 6.5599 6.5838 6.5838 6.6504 6.6504 6.6563 6.6563 8.6528 8.6528 8.6910 8.6910 9.4365 9.4365 9.4443 9.4443 11.1863 11.1863 11.1863 11.1863 12.7779 12.7779 12.7882 12.7882 15.1101 15.1139 k = 0.4861 0.3127 0.2449 ( 4668 PWs) bands (ev): -17.0509 -17.0509 -17.0509 -17.0509 -3.8927 -3.8927 -3.8926 -3.8926 -2.1502 -2.1502 -2.1450 -2.1450 -1.8032 -1.8032 -1.8029 -1.8029 0.4989 0.4989 0.5117 0.5117 4.7296 4.7296 4.7421 4.7421 4.9566 4.9566 5.0575 5.0575 5.4155 5.4155 5.4537 5.4537 6.1607 6.1607 6.1911 6.1911 6.5494 6.5494 6.5965 6.5965 6.6501 6.6501 6.6611 6.6611 8.6213 8.6213 8.6970 8.6970 9.4336 9.4336 9.4491 9.4491 11.1893 11.1893 11.1895 11.1895 12.7895 12.7895 12.8095 12.8095 15.0699 15.0701 k = 0.4792 0.3248 0.2449 ( 4668 PWs) bands (ev): -17.0508 -17.0508 -17.0508 -17.0508 -3.8928 -3.8928 -3.8925 -3.8925 -2.1505 -2.1505 -2.1427 -2.1427 -1.8057 -1.8057 -1.8053 -1.8053 0.4974 0.4974 0.5165 0.5165 4.7241 4.7241 4.7421 4.7421 4.9358 4.9358 5.0858 5.0858 5.4065 5.4065 5.4625 5.4625 6.1530 6.1530 6.1977 6.1977 6.5402 6.5402 6.6084 6.6084 6.6530 6.6530 6.6668 6.6668 8.5822 8.5822 8.6941 8.6941 9.4314 9.4314 9.4545 9.4545 11.1941 11.1941 11.1950 11.1950 12.8118 12.8118 12.8409 12.8409 15.0163 15.0164 k = 0.4722 0.3368 0.2449 ( 4680 PWs) bands (ev): -17.0507 -17.0507 -17.0507 -17.0507 -3.8928 -3.8928 -3.8925 -3.8925 -2.1504 -2.1504 -2.1400 -2.1400 -1.8091 -1.8091 -1.8087 -1.8087 0.4966 0.4966 0.5220 0.5220 4.7180 4.7180 4.7406 4.7406 4.9174 4.9174 5.1148 5.1148 5.3983 5.3983 5.4704 5.4704 6.1458 6.1458 6.2036 6.2036 6.5322 6.5322 6.6175 6.6175 6.6611 6.6611 6.6733 6.6733 8.5362 8.5362 8.6826 8.6826 9.4299 9.4299 9.4605 9.4605 11.2007 11.2007 11.2029 11.2029 12.8445 12.8445 12.8814 12.8814 14.9553 14.9554 k = 0.4653 0.3488 0.2449 ( 4676 PWs) bands (ev): -17.0506 -17.0506 -17.0505 -17.0505 -3.8929 -3.8929 -3.8925 -3.8925 -2.1500 -2.1500 -2.1369 -2.1369 -1.8133 -1.8133 -1.8131 -1.8131 0.4965 0.4965 0.5279 0.5279 4.7111 4.7111 4.7371 4.7371 4.9017 4.9017 5.1442 5.1442 5.3914 5.3914 5.4774 5.4774 6.1391 6.1391 6.2086 6.2086 6.5255 6.5255 6.6230 6.6230 6.6750 6.6750 6.6805 6.6805 8.4842 8.4842 8.6628 8.6628 9.4291 9.4291 9.4670 9.4670 11.2087 11.2087 11.2130 11.2130 12.8868 12.8868 12.9301 12.9301 14.8915 14.8923 k = 0.4583 0.3608 0.2449 ( 4680 PWs) bands (ev): -17.0504 -17.0504 -17.0503 -17.0503 -3.8930 -3.8930 -3.8924 -3.8924 -2.1492 -2.1492 -2.1334 -2.1334 -1.8183 -1.8183 -1.8183 -1.8183 0.4970 0.4970 0.5343 0.5343 4.7036 4.7036 4.7316 4.7316 4.8888 4.8888 5.1736 5.1736 5.3861 5.3861 5.4832 5.4832 6.1332 6.1332 6.2127 6.2127 6.5202 6.5202 6.6261 6.6261 6.6880 6.6880 6.6937 6.6937 8.4271 8.4271 8.6352 8.6352 9.4291 9.4291 9.4741 9.4741 11.2181 11.2181 11.2252 11.2252 12.9375 12.9375 12.9856 12.9856 14.8274 14.8289 k = 0.4514 0.3729 0.2449 ( 4682 PWs) bands (ev): -17.0502 -17.0502 -17.0501 -17.0501 -3.8930 -3.8930 -3.8924 -3.8924 -2.1481 -2.1481 -2.1295 -2.1295 -1.8243 -1.8243 -1.8240 -1.8240 0.4981 0.4981 0.5412 0.5412 4.6954 4.6954 4.7242 4.7242 4.8785 4.8785 5.2025 5.2025 5.3830 5.3830 5.4879 5.4879 6.1281 6.1281 6.2158 6.2158 6.5162 6.5162 6.6281 6.6281 6.6958 6.6958 6.7157 6.7157 8.3657 8.3657 8.6005 8.6005 9.4299 9.4299 9.4817 9.4817 11.2287 11.2287 11.2393 11.2393 12.9955 12.9955 13.0463 13.0463 14.7650 14.7699 k = 0.4444 0.3849 0.2449 ( 4686 PWs) bands (ev): -17.0499 -17.0499 -17.0498 -17.0498 -3.8931 -3.8931 -3.8925 -3.8925 -2.1468 -2.1468 -2.1253 -2.1253 -1.8311 -1.8311 -1.8303 -1.8303 0.4998 0.4998 0.5483 0.5483 4.6867 4.6867 4.7152 4.7152 4.8707 4.8707 5.2301 5.2301 5.3827 5.3827 5.4914 5.4914 6.1239 6.1239 6.2179 6.2179 6.5135 6.5135 6.6297 6.6297 6.7037 6.7037 6.7404 6.7404 8.3009 8.3009 8.5594 8.5594 9.4314 9.4314 9.4898 9.4898 11.2404 11.2404 11.2552 11.2552 13.0593 13.0593 13.1108 13.1108 14.7088 14.7100 k = 0.4375 0.3969 0.2449 ( 4688 PWs) bands (ev): -17.0497 -17.0497 -17.0496 -17.0496 -3.8932 -3.8932 -3.8925 -3.8925 -2.1451 -2.1451 -2.1209 -2.1209 -1.8386 -1.8386 -1.8369 -1.8369 0.5020 0.5020 0.5557 0.5557 4.6775 4.6775 4.7050 4.7050 4.8649 4.8649 5.2554 5.2554 5.3860 5.3860 5.4937 5.4937 6.1205 6.1205 6.2190 6.2190 6.5122 6.5122 6.6310 6.6310 6.7115 6.7115 6.7674 6.7674 8.2338 8.2338 8.5127 8.5127 9.4335 9.4335 9.4983 9.4983 11.2530 11.2530 11.2726 11.2726 13.1273 13.1273 13.1773 13.1773 14.6510 14.6523 k = 0.4306 0.4090 0.2449 ( 4676 PWs) bands (ev): -17.0494 -17.0494 -17.0493 -17.0493 -3.8933 -3.8933 -3.8925 -3.8925 -2.1433 -2.1433 -2.1161 -2.1161 -1.8465 -1.8465 -1.8440 -1.8440 0.5046 0.5046 0.5633 0.5633 4.6680 4.6680 4.6942 4.6942 4.8605 4.8605 5.2773 5.2773 5.3940 5.3940 5.4950 5.4950 6.1181 6.1181 6.2190 6.2190 6.5123 6.5123 6.6323 6.6323 6.7189 6.7189 6.7966 6.7966 8.1652 8.1652 8.4613 8.4613 9.4363 9.4363 9.5072 9.5072 11.2664 11.2664 11.2912 11.2912 13.1978 13.1978 13.2441 13.2441 14.5989 14.5990 k = 0.4236 0.4210 0.2449 ( 4672 PWs) bands (ev): -17.0491 -17.0491 -17.0490 -17.0490 -3.8935 -3.8935 -3.8926 -3.8926 -2.1413 -2.1413 -2.1111 -2.1111 -1.8549 -1.8549 -1.8512 -1.8512 0.5075 0.5075 0.5710 0.5710 4.6582 4.6582 4.6833 4.6833 4.8570 4.8570 5.2949 5.2949 5.4073 5.4073 5.4953 5.4953 6.1165 6.1165 6.2182 6.2182 6.5137 6.5137 6.6335 6.6335 6.7258 6.7258 6.8279 6.8279 8.0960 8.0960 8.4059 8.4059 9.4395 9.4395 9.5162 9.5162 11.2804 11.2804 11.3105 11.3105 13.2689 13.2689 13.3095 13.3095 14.5505 14.5505 k = 0.4167 0.4330 0.2449 ( 4676 PWs) bands (ev): -17.0488 -17.0488 -17.0487 -17.0487 -3.8936 -3.8936 -3.8927 -3.8927 -2.1392 -2.1392 -2.1059 -2.1059 -1.8636 -1.8636 -1.8586 -1.8586 0.5107 0.5107 0.5786 0.5786 4.6483 4.6483 4.6726 4.6726 4.8540 4.8540 5.3084 5.3084 5.4253 5.4253 5.4948 5.4948 6.1156 6.1156 6.2165 6.2165 6.5164 6.5164 6.6345 6.6345 6.7320 6.7320 6.8612 6.8612 8.0270 8.0270 8.3474 8.3474 9.4433 9.4433 9.5254 9.5254 11.2946 11.2946 11.3304 11.3304 13.3387 13.3387 13.3719 13.3719 14.5075 14.5075 k = 0.4097 0.4450 0.2449 ( 4674 PWs) bands (ev): -17.0485 -17.0485 -17.0484 -17.0484 -3.8938 -3.8938 -3.8929 -3.8929 -2.1370 -2.1370 -2.1006 -2.1006 -1.8725 -1.8725 -1.8659 -1.8659 0.5141 0.5141 0.5861 0.5861 4.6384 4.6384 4.6625 4.6625 4.8513 4.8513 5.3190 5.3190 5.4465 5.4465 5.4936 5.4936 6.1154 6.1154 6.2140 6.2140 6.5204 6.5204 6.6354 6.6354 6.7373 6.7373 6.8964 6.8964 7.9591 7.9591 8.2865 8.2865 9.4474 9.4474 9.5345 9.5345 11.3090 11.3090 11.3503 11.3503 13.4055 13.4055 13.4297 13.4297 14.4702 14.4702 k = 0.4028 0.4571 0.2449 ( 4682 PWs) bands (ev): -17.0482 -17.0482 -17.0480 -17.0480 -3.8940 -3.8940 -3.8930 -3.8930 -2.1349 -2.1349 -2.0952 -2.0952 -1.8814 -1.8814 -1.8730 -1.8730 0.5177 0.5177 0.5934 0.5934 4.6287 4.6287 4.6533 4.6533 4.8484 4.8484 5.3279 5.3279 5.4692 5.4692 5.4919 5.4919 6.1157 6.1157 6.2109 6.2109 6.5256 6.5256 6.6362 6.6362 6.7416 6.7416 6.9335 6.9335 7.8932 7.8932 8.2240 8.2240 9.4518 9.4518 9.5436 9.5436 11.3232 11.3232 11.3700 11.3700 13.4676 13.4676 13.4818 13.4818 14.4389 14.4389 k = 0.3958 0.4691 0.2449 ( 4678 PWs) bands (ev): -17.0479 -17.0479 -17.0477 -17.0477 -3.8942 -3.8942 -3.8932 -3.8932 -2.1327 -2.1327 -2.0899 -2.0899 -1.8902 -1.8902 -1.8799 -1.8799 0.5212 0.5212 0.6003 0.6003 4.6193 4.6193 4.6452 4.6452 4.8454 4.8454 5.3361 5.3361 5.4900 5.4900 5.4919 5.4919 6.1163 6.1163 6.2073 6.2073 6.5319 6.5319 6.6368 6.6368 6.7448 6.7448 6.9721 6.9721 7.8301 7.8301 8.1606 8.1606 9.4563 9.4563 9.5523 9.5523 11.3369 11.3369 11.3890 11.3890 13.5237 13.5237 13.5274 13.5274 14.4135 14.4135 k = 0.3889 0.4811 0.2449 ( 4696 PWs) bands (ev): -17.0476 -17.0476 -17.0474 -17.0474 -3.8945 -3.8945 -3.8934 -3.8934 -2.1307 -2.1307 -2.0846 -2.0846 -1.8988 -1.8988 -1.8863 -1.8863 0.5247 0.5247 0.6069 0.6069 4.6105 4.6105 4.6382 4.6382 4.8422 4.8422 5.3442 5.3442 5.4878 5.4878 5.5135 5.5135 6.1173 6.1173 6.2033 6.2033 6.5393 6.5393 6.6371 6.6371 6.7468 6.7468 7.0122 7.0122 7.7705 7.7705 8.0970 8.0970 9.4608 9.4608 9.5606 9.5606 11.3499 11.3499 11.4069 11.4069 13.5662 13.5662 13.5729 13.5729 14.3941 14.3941 k = 0.3819 0.4932 0.2449 ( 4704 PWs) bands (ev): -17.0473 -17.0473 -17.0472 -17.0472 -3.8947 -3.8947 -3.8937 -3.8937 -2.1288 -2.1288 -2.0795 -2.0795 -1.9069 -1.9069 -1.8922 -1.8922 0.5280 0.5280 0.6130 0.6130 4.6023 4.6023 4.6326 4.6326 4.8386 4.8386 5.3523 5.3523 5.4855 5.4855 5.5333 5.5333 6.1184 6.1184 6.1992 6.1992 6.5475 6.5475 6.6374 6.6374 6.7474 6.7474 7.0533 7.0533 7.7155 7.7155 8.0340 8.0340 9.4653 9.4653 9.5684 9.5684 11.3619 11.3619 11.4234 11.4234 13.5982 13.5982 13.6148 13.6148 14.3804 14.3805 k = 0.3750 0.5052 0.2449 ( 4692 PWs) bands (ev): -17.0471 -17.0471 -17.0469 -17.0469 -3.8950 -3.8950 -3.8939 -3.8939 -2.1271 -2.1271 -2.0747 -2.0747 -1.9144 -1.9144 -1.8974 -1.8974 0.5312 0.5312 0.6185 0.6185 4.5950 4.5950 4.6282 4.6282 4.8348 4.8348 5.3605 5.3605 5.4833 5.4833 5.5507 5.5507 6.1195 6.1195 6.1950 6.1950 6.5564 6.5564 6.6374 6.6374 6.7466 6.7466 7.0949 7.0949 7.6658 7.6658 7.9726 7.9726 9.4695 9.4695 9.5755 9.5755 11.3727 11.3727 11.4382 11.4382 13.6240 13.6240 13.6494 13.6494 14.3711 14.3717 k = 0.3681 0.5172 0.2449 ( 4700 PWs) bands (ev): -17.0469 -17.0469 -17.0467 -17.0467 -3.8953 -3.8953 -3.8942 -3.8942 -2.1257 -2.1257 -2.0704 -2.0704 -1.9211 -1.9211 -1.9020 -1.9020 0.5340 0.5340 0.6233 0.6233 4.5886 4.5886 4.6251 4.6251 4.8309 4.8309 5.3686 5.3686 5.4813 5.4813 5.5653 5.5653 6.1207 6.1207 6.1911 6.1911 6.5655 6.5655 6.6373 6.6373 6.7446 6.7446 7.1362 7.1362 7.6223 7.6223 7.9138 7.9138 9.4734 9.4734 9.5818 9.5818 11.3820 11.3820 11.4509 11.4509 13.6441 13.6441 13.6771 13.6771 14.3649 14.3675 k = 0.3611 0.5292 0.2449 ( 4704 PWs) bands (ev): -17.0467 -17.0467 -17.0465 -17.0465 -3.8955 -3.8955 -3.8944 -3.8944 -2.1245 -2.1245 -2.0666 -2.0666 -1.9269 -1.9269 -1.9057 -1.9057 0.5364 0.5364 0.6273 0.6273 4.5832 4.5832 4.6231 4.6231 4.8270 4.8270 5.3763 5.3763 5.4795 5.4795 5.5769 5.5769 6.1218 6.1218 6.1874 6.1874 6.5747 6.5747 6.6371 6.6371 6.7415 6.7415 7.1760 7.1760 7.5856 7.5856 7.8592 7.8592 9.4769 9.4769 9.5871 9.5871 11.3897 11.3897 11.4615 11.4615 13.6594 13.6594 13.6988 13.6988 14.3571 14.3659 k = 0.3542 0.5413 0.2449 ( 4692 PWs) bands (ev): -17.0465 -17.0465 -17.0463 -17.0463 -3.8957 -3.8957 -3.8946 -3.8946 -2.1237 -2.1237 -2.0636 -2.0636 -1.9316 -1.9316 -1.9087 -1.9087 0.5384 0.5384 0.6306 0.6306 4.5790 4.5790 4.6222 4.6222 4.8233 4.8233 5.3834 5.3834 5.4780 5.4780 5.5854 5.5854 6.1227 6.1227 6.1843 6.1843 6.5832 6.5832 6.6369 6.6369 6.7376 6.7376 7.2124 7.2124 7.5565 7.5565 7.8108 7.8108 9.4798 9.4798 9.5915 9.5915 11.3957 11.3957 11.4696 11.4696 13.6706 13.6706 13.7149 13.7149 14.3560 14.3575 k = 0.3472 0.5533 0.2449 ( 4696 PWs) bands (ev): -17.0464 -17.0464 -17.0462 -17.0462 -3.8959 -3.8959 -3.8948 -3.8948 -2.1231 -2.1231 -2.0614 -2.0614 -1.9349 -1.9349 -1.9107 -1.9107 0.5398 0.5398 0.6330 0.6330 4.5760 4.5760 4.6220 4.6220 4.8202 4.8202 5.3892 5.3892 5.4769 5.4769 5.5909 5.5909 6.1234 6.1234 6.1819 6.1819 6.5904 6.5904 6.6366 6.6366 6.7336 6.7336 7.2427 7.2427 7.5355 7.5355 7.7717 7.7717 9.4819 9.4819 9.5947 9.5947 11.3998 11.3998 11.4754 11.4754 13.6783 13.6783 13.7262 13.7262 14.3558 14.3615 k = 0.3403 0.5653 0.2449 ( 4700 PWs) bands (ev): -17.0463 -17.0463 -17.0461 -17.0461 -3.8960 -3.8960 -3.8949 -3.8949 -2.1228 -2.1228 -2.0601 -2.0601 -1.9369 -1.9369 -1.9119 -1.9119 0.5408 0.5408 0.6344 0.6344 4.5742 4.5742 4.6222 4.6222 4.8180 4.8180 5.3932 5.3932 5.4762 5.4762 5.5938 5.5938 6.1239 6.1239 6.1803 6.1803 6.5953 6.5953 6.6364 6.6364 6.7305 6.7305 7.2634 7.2634 7.5229 7.5229 7.7456 7.7456 9.4833 9.4833 9.5967 9.5967 11.4023 11.4023 11.4787 11.4787 13.6830 13.6830 13.7330 13.7330 14.3559 14.3686 k = 0.3333 0.5774 0.2449 ( 4704 PWs) bands (ev): -17.0463 -17.0463 -17.0461 -17.0461 -3.8961 -3.8961 -3.8949 -3.8949 -2.1227 -2.1227 -2.0597 -2.0597 -1.9376 -1.9376 -1.9123 -1.9123 0.5411 0.5411 0.6349 0.6349 4.5736 4.5736 4.6223 4.6223 4.8172 4.8172 5.3947 5.3947 5.4759 5.4759 5.5947 5.5947 6.1240 6.1240 6.1797 6.1797 6.5970 6.5970 6.6364 6.6364 6.7292 6.7292 7.2707 7.2707 7.5187 7.5187 7.7364 7.7364 9.4838 9.4838 9.5973 9.5973 11.4030 11.4030 11.4798 11.4798 13.6845 13.6845 13.7354 13.7354 14.3559 14.3562 k = 0.3333 0.5774 0.2449 ( 4704 PWs) bands (ev): -17.0463 -17.0463 -17.0461 -17.0461 -3.8961 -3.8961 -3.8949 -3.8949 -2.1227 -2.1227 -2.0597 -2.0597 -1.9376 -1.9376 -1.9123 -1.9123 0.5411 0.5411 0.6349 0.6349 4.5736 4.5736 4.6223 4.6223 4.8172 4.8172 5.3947 5.3947 5.4759 5.4759 5.5947 5.5947 6.1240 6.1240 6.1797 6.1797 6.5970 6.5970 6.6364 6.6364 6.7292 6.7292 7.2707 7.2707 7.5187 7.5187 7.7364 7.7364 9.4838 9.4838 9.5973 9.5973 11.4030 11.4030 11.4798 11.4798 13.6845 13.6845 13.7354 13.7354 14.3559 14.3578 k = 0.3264 0.5653 0.2449 ( 4692 PWs) bands (ev): -17.0463 -17.0463 -17.0461 -17.0461 -3.8960 -3.8960 -3.8949 -3.8949 -2.1227 -2.1227 -2.0601 -2.0601 -1.9370 -1.9370 -1.9120 -1.9120 0.5407 0.5407 0.6344 0.6344 4.5742 4.5742 4.6220 4.6220 4.8182 4.8182 5.3930 5.3930 5.4762 5.4762 5.5941 5.5941 6.1238 6.1238 6.1803 6.1803 6.5952 6.5952 6.6365 6.6365 6.7307 6.7307 7.2634 7.2634 7.5228 7.5228 7.7456 7.7456 9.4833 9.4833 9.5966 9.5966 11.4023 11.4023 11.4788 11.4788 13.6828 13.6828 13.7329 13.7329 14.3562 14.3660 k = 0.3194 0.5533 0.2449 ( 4692 PWs) bands (ev): -17.0464 -17.0464 -17.0462 -17.0462 -3.8959 -3.8959 -3.8947 -3.8947 -2.1229 -2.1229 -2.0611 -2.0611 -1.9352 -1.9352 -1.9109 -1.9109 0.5398 0.5398 0.6329 0.6329 4.5759 4.5759 4.6207 4.6207 4.8213 4.8213 5.3874 5.3874 5.4770 5.4770 5.5927 5.5927 6.1233 6.1233 6.1823 6.1823 6.5899 6.5899 6.6368 6.6368 6.7351 6.7351 7.2434 7.2434 7.5349 7.5349 7.7716 7.7716 9.4817 9.4817 9.5945 9.5945 11.4004 11.4004 11.4760 11.4760 13.6775 13.6775 13.7252 13.7252 14.3579 14.3580 k = 0.3125 0.5413 0.2449 ( 4700 PWs) bands (ev): -17.0465 -17.0465 -17.0463 -17.0463 -3.8956 -3.8956 -3.8944 -3.8944 -2.1232 -2.1232 -2.0626 -2.0626 -1.9325 -1.9325 -1.9091 -1.9091 0.5381 0.5381 0.6304 0.6304 4.5785 4.5785 4.6181 4.6181 4.8268 4.8268 5.3776 5.3776 5.4786 5.4786 5.5910 5.5910 6.1223 6.1223 6.1856 6.1856 6.5820 6.5820 6.6374 6.6374 6.7422 6.7422 7.2145 7.2145 7.5545 7.5545 7.8106 7.8106 9.4789 9.4789 9.5910 9.5910 11.3975 11.3975 11.4717 11.4717 13.6678 13.6678 13.7119 13.7119 14.3627 14.3628 k = 0.3056 0.5292 0.2449 ( 4688 PWs) bands (ev): -17.0467 -17.0467 -17.0466 -17.0466 -3.8951 -3.8951 -3.8940 -3.8940 -2.1235 -2.1235 -2.0645 -2.0645 -1.9290 -1.9290 -1.9068 -1.9068 0.5358 0.5358 0.6269 0.6269 4.5819 4.5819 4.6139 4.6139 4.8348 4.8348 5.3635 5.3635 5.4808 5.4808 5.5892 5.5892 6.1207 6.1207 6.1903 6.1903 6.5727 6.5727 6.6383 6.6383 6.7516 6.7516 7.1807 7.1807 7.5809 7.5809 7.8590 7.8590 9.4750 9.4750 9.5860 9.5860 11.3941 11.3941 11.4664 11.4664 13.6535 13.6535 13.6925 13.6925 14.3722 14.3722 k = 0.2986 0.5172 0.2449 ( 4684 PWs) bands (ev): -17.0470 -17.0470 -17.0468 -17.0468 -3.8945 -3.8945 -3.8934 -3.8934 -2.1237 -2.1237 -2.0664 -2.0664 -1.9249 -1.9249 -1.9040 -1.9040 0.5329 0.5329 0.6224 0.6224 4.5860 4.5860 4.6082 4.6082 4.8451 4.8451 5.3455 5.3455 5.4839 5.4839 5.5873 5.5873 6.1187 6.1187 6.1963 6.1963 6.5631 6.5631 6.6396 6.6396 6.7629 6.7629 7.1451 7.1451 7.6136 7.6136 7.9139 7.9139 9.4698 9.4698 9.5796 9.5796 11.3904 11.3904 11.4604 11.4604 13.6342 13.6342 13.6673 13.6673 14.3876 14.3877 k = 0.2917 0.5052 0.2449 ( 4678 PWs) bands (ev): -17.0474 -17.0474 -17.0472 -17.0472 -3.8938 -3.8938 -3.8926 -3.8926 -2.1238 -2.1238 -2.0684 -2.0684 -1.9204 -1.9204 -1.9008 -1.9008 0.5292 0.5292 0.6170 0.6170 4.5905 4.5905 4.6010 4.6010 4.8573 4.8573 5.3243 5.3243 5.4878 5.4878 5.5849 5.5849 6.1160 6.1160 6.2035 6.2035 6.5542 6.5542 6.6413 6.6413 6.7760 6.7760 7.1100 7.1100 7.6519 7.6519 7.9734 7.9734 9.4633 9.4633 9.5718 9.5718 11.3870 11.3870 11.4542 11.4542 13.6101 13.6101 13.6366 13.6366 14.4099 14.4099 k = 0.2847 0.4932 0.2449 ( 4678 PWs) bands (ev): -17.0478 -17.0478 -17.0476 -17.0476 -3.8928 -3.8928 -3.8917 -3.8917 -2.1238 -2.1238 -2.0703 -2.0703 -1.9156 -1.9156 -1.8972 -1.8972 0.5250 0.5250 0.6107 0.6107 4.5924 4.5924 4.5951 4.5951 4.8711 4.8711 5.3006 5.3006 5.4926 5.4926 5.5818 5.5818 6.1128 6.1128 6.2113 6.2113 6.5469 6.5469 6.6432 6.6432 6.7908 6.7908 7.0769 7.0769 7.6950 7.6950 8.0362 8.0362 9.4554 9.4554 9.5628 9.5628 11.3842 11.3842 11.4483 11.4483 13.5814 13.5814 13.6012 13.6012 14.4394 14.4394 k = 0.2778 0.4811 0.2449 ( 4690 PWs) bands (ev): -17.0483 -17.0483 -17.0481 -17.0481 -3.8916 -3.8916 -3.8905 -3.8905 -2.1236 -2.1236 -2.0721 -2.0721 -1.9106 -1.9106 -1.8933 -1.8933 0.5202 0.5202 0.6035 0.6035 4.5827 4.5827 4.5994 4.5994 4.8857 4.8857 5.2752 5.2752 5.4983 5.4983 5.5776 5.5776 6.1089 6.1089 6.2193 6.2193 6.5420 6.5420 6.6454 6.6454 6.8078 6.8078 7.0474 7.0474 7.7424 7.7424 8.1013 8.1013 9.4463 9.4463 9.5525 9.5525 11.3824 11.3824 11.4430 11.4430 13.5489 13.5489 13.5621 13.5621 14.4758 14.4758 k = 0.2708 0.4691 0.2449 ( 4702 PWs) bands (ev): -17.0489 -17.0489 -17.0487 -17.0487 -3.8902 -3.8902 -3.8891 -3.8891 -2.1232 -2.1232 -2.0736 -2.0736 -1.9054 -1.9054 -1.8891 -1.8891 0.5147 0.5147 0.5955 0.5955 4.5720 4.5720 4.6033 4.6033 4.9008 4.9008 5.2489 5.2489 5.5047 5.5047 5.5722 5.5722 6.1045 6.1045 6.2266 6.2266 6.5401 6.5401 6.6475 6.6475 6.8273 6.8273 7.0224 7.0224 7.7935 7.7935 8.1679 8.1679 9.4359 9.4359 9.5412 9.5412 11.3821 11.3821 11.4389 11.4389 13.5132 13.5132 13.5201 13.5201 14.5185 14.5185 k = 0.2639 0.4571 0.2449 ( 4690 PWs) bands (ev): -17.0495 -17.0495 -17.0494 -17.0494 -3.8886 -3.8886 -3.8875 -3.8875 -2.1226 -2.1226 -2.0748 -2.0748 -1.9001 -1.9001 -1.8847 -1.8847 0.5088 0.5088 0.5868 0.5868 4.5607 4.5607 4.6062 4.6062 4.9158 4.9158 5.2226 5.2226 5.5117 5.5117 5.5654 5.5654 6.0997 6.0997 6.2327 6.2327 6.5415 6.5415 6.6494 6.6494 6.8498 6.8498 7.0032 7.0032 7.8477 7.8477 8.2353 8.2353 9.4244 9.4244 9.5292 9.5292 11.3837 11.3837 11.4362 11.4362 13.4751 13.4751 13.4760 13.4760 14.5668 14.5718 k = 0.2569 0.4450 0.2449 ( 4680 PWs) bands (ev): -17.0503 -17.0503 -17.0501 -17.0501 -3.8867 -3.8867 -3.8856 -3.8856 -2.1217 -2.1217 -2.0759 -2.0759 -1.8947 -1.8947 -1.8801 -1.8801 0.5024 0.5024 0.5774 0.5774 4.5487 4.5487 4.6079 4.6079 4.9304 4.9304 5.1968 5.1968 5.5189 5.5189 5.5572 5.5572 6.0948 6.0948 6.2369 6.2369 6.5461 6.5461 6.6507 6.6507 6.8762 6.8762 6.9907 6.9907 7.9044 7.9044 8.3030 8.3030 9.4118 9.4118 9.5167 9.5167 11.3875 11.3875 11.4355 11.4355 13.4305 13.4305 13.4352 13.4352 14.5616 14.5616 k = 0.2500 0.4330 0.2449 ( 4690 PWs) bands (ev): -17.0511 -17.0511 -17.0509 -17.0509 -3.8846 -3.8846 -3.8835 -3.8835 -2.1207 -2.1207 -2.0766 -2.0766 -1.8892 -1.8892 -1.8754 -1.8754 0.4956 0.4956 0.5673 0.5673 4.5364 4.5364 4.6079 4.6079 4.9440 4.9440 5.1723 5.1723 5.5259 5.5259 5.5477 5.5477 6.0900 6.0900 6.2390 6.2390 6.5537 6.5537 6.6509 6.6509 6.9072 6.9072 6.9859 6.9859 7.9630 7.9630 8.3702 8.3702 9.3984 9.3984 9.5042 9.5042 11.3939 11.3939 11.4371 11.4371 13.3842 13.3842 13.3941 13.3941 14.4836 14.4836 k = 0.2431 0.4210 0.2449 ( 4676 PWs) bands (ev): -17.0519 -17.0519 -17.0518 -17.0518 -3.8823 -3.8823 -3.8812 -3.8812 -2.1195 -2.1195 -2.0772 -2.0772 -1.8837 -1.8837 -1.8705 -1.8705 0.4883 0.4883 0.5568 0.5568 4.5237 4.5237 4.6058 4.6058 4.9565 4.9565 5.1496 5.1496 5.5322 5.5322 5.5369 5.5369 6.0859 6.0859 6.2391 6.2391 6.5633 6.5633 6.6499 6.6499 6.9434 6.9434 6.9894 6.9894 8.0232 8.0232 8.4363 8.4363 9.3843 9.3843 9.4923 9.4923 11.4031 11.4031 11.4411 11.4411 13.3376 13.3376 13.3523 13.3523 14.3864 14.3864 k = 0.2361 0.4090 0.2449 ( 4690 PWs) bands (ev): -17.0529 -17.0529 -17.0527 -17.0527 -3.8797 -3.8797 -3.8786 -3.8786 -2.1181 -2.1181 -2.0775 -2.0775 -1.8781 -1.8781 -1.8655 -1.8655 0.4807 0.4807 0.5457 0.5457 4.5108 4.5108 4.6015 4.6015 4.9678 4.9678 5.1292 5.1292 5.5251 5.5251 5.5370 5.5370 6.0830 6.0830 6.2373 6.2373 6.5741 6.5741 6.6476 6.6476 6.9856 6.9856 7.0017 7.0017 8.0841 8.0841 8.5002 8.5002 9.3698 9.3698 9.4817 9.4817 11.4154 11.4154 11.4481 11.4481 13.2910 13.2910 13.3103 13.3103 14.2828 14.2828 k = 0.2292 0.3969 0.2449 ( 4686 PWs) bands (ev): -17.0539 -17.0539 -17.0538 -17.0538 -3.8770 -3.8770 -3.8759 -3.8759 -2.1165 -2.1165 -2.0777 -2.0777 -1.8724 -1.8724 -1.8602 -1.8602 0.4728 0.4728 0.5343 0.5343 4.4978 4.4978 4.5947 4.5947 4.9777 4.9777 5.1113 5.1113 5.5124 5.5124 5.5397 5.5397 6.0816 6.0816 6.2342 6.2342 6.5851 6.5851 6.6440 6.6440 7.0230 7.0230 7.0342 7.0342 8.1454 8.1454 8.5609 8.5609 9.3555 9.3555 9.4735 9.4735 11.4310 11.4310 11.4580 11.4580 13.2447 13.2447 13.2683 13.2683 14.1763 14.1763 k = 0.2222 0.3849 0.2449 ( 4682 PWs) bands (ev): -17.0550 -17.0550 -17.0548 -17.0548 -3.8740 -3.8740 -3.8729 -3.8729 -2.1148 -2.1148 -2.0778 -2.0778 -1.8666 -1.8666 -1.8548 -1.8548 0.4646 0.4646 0.5224 0.5224 4.4847 4.4847 4.5854 4.5854 4.9862 4.9862 5.0961 5.0961 5.4989 5.4989 5.5397 5.5397 6.0822 6.0822 6.2300 6.2300 6.5957 6.5957 6.6395 6.6395 7.0530 7.0530 7.0893 7.0893 8.2062 8.2062 8.6170 8.6170 9.3417 9.3417 9.4689 9.4689 11.4499 11.4499 11.4711 11.4711 13.1988 13.1988 13.2265 13.2265 14.0688 14.0688 k = 0.2153 0.3729 0.2449 ( 4682 PWs) bands (ev): -17.0561 -17.0561 -17.0560 -17.0560 -3.8708 -3.8708 -3.8697 -3.8697 -2.1130 -2.1130 -2.0778 -2.0778 -1.8606 -1.8606 -1.8492 -1.8492 0.4561 0.4561 0.5103 0.5103 4.4716 4.4716 4.5737 4.5737 4.9936 4.9936 5.0835 5.0835 5.4849 5.4849 5.5366 5.5366 6.0851 6.0851 6.2253 6.2253 6.6053 6.6053 6.6344 6.6344 7.0915 7.0915 7.1509 7.1509 8.2659 8.2659 8.6671 8.6671 9.3292 9.3292 9.4693 9.4693 11.4725 11.4725 11.4876 11.4876 13.1535 13.1535 13.1851 13.1851 13.9616 13.9616 k = 0.2083 0.3608 0.2449 ( 4692 PWs) bands (ev): -17.0573 -17.0573 -17.0572 -17.0572 -3.8675 -3.8675 -3.8664 -3.8664 -2.1111 -2.1111 -2.0777 -2.0777 -1.8543 -1.8543 -1.8434 -1.8434 0.4474 0.4474 0.4980 0.4980 4.4586 4.4586 4.5597 4.5597 4.9998 4.9998 5.0735 5.0735 5.4703 5.4703 5.5302 5.5302 6.0902 6.0902 6.2203 6.2203 6.6136 6.6136 6.6288 6.6288 7.1383 7.1383 7.2188 7.2188 8.3234 8.3234 8.7095 8.7095 9.3189 9.3189 9.4764 9.4764 11.4986 11.4986 11.5075 11.5075 13.1087 13.1087 13.1442 13.1442 13.8557 13.8557 k = 0.2014 0.3488 0.2449 ( 4692 PWs) bands (ev): -17.0585 -17.0585 -17.0584 -17.0584 -3.8640 -3.8640 -3.8629 -3.8629 -2.1092 -2.1092 -2.0777 -2.0777 -1.8478 -1.8478 -1.8372 -1.8372 0.4385 0.4385 0.4855 0.4855 4.4456 4.4456 4.5440 4.5440 5.0051 5.0051 5.0657 5.0657 5.4555 5.4555 5.5206 5.5206 6.0974 6.0974 6.2153 6.2153 6.6206 6.6206 6.6231 6.6231 7.1930 7.1930 7.2927 7.2927 8.3777 8.3777 8.7427 8.7427 9.3116 9.3116 9.4916 9.4916 11.5283 11.5283 11.5308 11.5308 13.0643 13.0643 13.1037 13.1037 13.7522 13.7522 k = 0.1944 0.3368 0.2449 ( 4692 PWs) bands (ev): -17.0598 -17.0598 -17.0598 -17.0598 -3.8604 -3.8604 -3.8594 -3.8594 -2.1074 -2.1074 -2.0776 -2.0776 -1.8409 -1.8409 -1.8308 -1.8308 0.4295 0.4295 0.4729 0.4729 4.4328 4.4328 4.5267 4.5267 5.0096 5.0096 5.0599 5.0599 5.4404 5.4404 5.5079 5.5079 6.1064 6.1064 6.2106 6.2106 6.6173 6.6173 6.6261 6.6261 7.2552 7.2552 7.3724 7.3724 8.4276 8.4276 8.7656 8.7656 9.3087 9.3087 9.5159 9.5159 11.5575 11.5575 11.5616 11.5616 13.0202 13.0202 13.0635 13.0635 13.6518 13.6518 k = 0.1875 0.3248 0.2449 ( 4692 PWs) bands (ev): -17.0612 -17.0612 -17.0611 -17.0611 -3.8566 -3.8566 -3.8557 -3.8557 -2.1055 -2.1055 -2.0777 -2.0777 -1.8337 -1.8337 -1.8241 -1.8241 0.4203 0.4203 0.4601 0.4601 4.4200 4.4200 4.5083 4.5083 5.0135 5.0135 5.0557 5.0557 5.4253 5.4253 5.4927 5.4927 6.1167 6.1167 6.2063 6.2063 6.6116 6.6116 6.6303 6.6303 7.3247 7.3247 7.4572 7.4572 8.4717 8.4717 8.7780 8.7780 9.3115 9.3115 9.5496 9.5496 11.5874 11.5874 11.5984 11.5984 12.9761 12.9761 13.0235 13.0235 13.5556 13.5556 k = 0.1806 0.3127 0.2449 ( 4684 PWs) bands (ev): -17.0626 -17.0626 -17.0625 -17.0625 -3.8528 -3.8528 -3.8519 -3.8519 -2.1038 -2.1038 -2.0779 -2.0779 -1.8260 -1.8260 -1.8170 -1.8170 0.4110 0.4110 0.4473 0.4473 4.4075 4.4075 4.4892 4.4892 5.0169 5.0169 5.0528 5.0528 5.4101 5.4101 5.4754 5.4754 6.1279 6.1279 6.2025 6.2025 6.6059 6.6059 6.6331 6.6331 7.4010 7.4010 7.5470 7.5470 8.5087 8.5087 8.7805 8.7805 9.3213 9.3213 9.5921 9.5921 11.6206 11.6206 11.6385 11.6385 12.9314 12.9314 12.9832 12.9832 13.4645 13.4645 k = 0.1736 0.3007 0.2449 ( 4680 PWs) bands (ev): -17.0640 -17.0640 -17.0639 -17.0639 -3.8490 -3.8490 -3.8481 -3.8481 -2.1022 -2.1022 -2.0782 -2.0782 -1.8180 -1.8180 -1.8095 -1.8095 0.4015 0.4015 0.4346 0.4346 4.3951 4.3951 4.4698 4.4698 5.0201 5.0201 5.0508 5.0508 5.3950 5.3950 5.4565 5.4565 6.1396 6.1396 6.1994 6.1994 6.6004 6.6004 6.6346 6.6346 7.4839 7.4839 7.6413 7.6413 8.5376 8.5376 8.7743 8.7743 9.3392 9.3392 9.6422 9.6422 11.6566 11.6566 11.6818 11.6818 12.8857 12.8857 12.9422 12.9422 13.3798 13.3798 k = 0.1667 0.2887 0.2449 ( 4692 PWs) bands (ev): -17.0654 -17.0654 -17.0653 -17.0653 -3.8451 -3.8451 -3.8442 -3.8442 -2.1007 -2.1007 -2.0787 -2.0787 -1.8095 -1.8095 -1.8016 -1.8016 0.3920 0.3920 0.4218 0.4218 4.3830 4.3830 4.4503 4.4503 5.0230 5.0230 5.0496 5.0496 5.3800 5.3800 5.4365 5.4365 6.1514 6.1514 6.1971 6.1971 6.5949 6.5949 6.6349 6.6349 7.5728 7.5728 7.7397 7.7397 8.5577 8.5577 8.7610 8.7610 9.3659 9.3659 9.6983 9.6983 11.6951 11.6951 11.7281 11.7281 12.8381 12.8381 12.8998 12.8998 13.3028 13.3028 k = 0.1597 0.2766 0.2449 ( 4684 PWs) bands (ev): -17.0669 -17.0669 -17.0668 -17.0668 -3.8413 -3.8413 -3.8404 -3.8404 -2.0994 -2.0994 -2.0793 -2.0793 -1.8005 -1.8005 -1.7932 -1.7932 0.3823 0.3823 0.4091 0.4091 4.3710 4.3710 4.4309 4.4309 5.0260 5.0260 5.0490 5.0490 5.3652 5.3652 5.4157 5.4157 6.1631 6.1631 6.1956 6.1956 6.5895 6.5895 6.6341 6.6341 7.6673 7.6673 7.8418 7.8418 8.5691 8.5691 8.7419 8.7419 9.4015 9.4015 9.7590 9.7590 11.7357 11.7357 11.7770 11.7770 12.7880 12.7880 12.8552 12.8552 13.2346 13.2346 k = 0.1528 0.2646 0.2449 ( 4696 PWs) bands (ev): -17.0683 -17.0683 -17.0683 -17.0683 -3.8374 -3.8374 -3.8367 -3.8367 -2.0982 -2.0982 -2.0801 -2.0801 -1.7911 -1.7911 -1.7845 -1.7845 0.3726 0.3726 0.3964 0.3964 4.3593 4.3593 4.4120 4.4120 5.0289 5.0289 5.0488 5.0488 5.3505 5.3505 5.3947 5.3947 6.1745 6.1745 6.1950 6.1950 6.5841 6.5841 6.6320 6.6320 7.7670 7.7670 7.9471 7.9471 8.5727 8.5727 8.7186 8.7186 9.4452 9.4452 9.8230 9.8230 11.7777 11.7777 11.8281 11.8281 12.7352 12.7352 12.8077 12.8077 13.1764 13.1764 k = 0.1458 0.2526 0.2449 ( 4698 PWs) bands (ev): -17.0698 -17.0698 -17.0697 -17.0697 -3.8337 -3.8337 -3.8329 -3.8329 -2.0973 -2.0973 -2.0810 -2.0810 -1.7813 -1.7813 -1.7753 -1.7753 0.3629 0.3629 0.3839 0.3839 4.3478 4.3478 4.3937 4.3937 5.0319 5.0319 5.0489 5.0489 5.3361 5.3361 5.3736 5.3736 6.1855 6.1855 6.1953 6.1953 6.5787 6.5787 6.6289 6.6289 7.8713 7.8713 8.0549 8.0549 8.5699 8.5699 8.6921 8.6921 9.4961 9.4961 9.8892 9.8892 11.8200 11.8200 11.8808 11.8808 12.6801 12.6801 12.7567 12.7567 13.1287 13.1287 k = 0.1389 0.2406 0.2449 ( 4702 PWs) bands (ev): -17.0712 -17.0712 -17.0712 -17.0712 -3.8300 -3.8300 -3.8293 -3.8293 -2.0965 -2.0965 -2.0821 -2.0821 -1.7711 -1.7711 -1.7657 -1.7657 0.3531 0.3531 0.3715 0.3715 4.3366 4.3366 4.3760 4.3760 5.0351 5.0351 5.0493 5.0493 5.3219 5.3219 5.3527 5.3527 6.1959 6.1959 6.1966 6.1966 6.5733 6.5733 6.6247 6.6247 7.9795 7.9795 8.1639 8.1639 8.5630 8.5630 8.6639 8.6639 9.5530 9.5530 9.9566 9.9566 11.8614 11.8614 11.9344 11.9344 12.6237 12.6237 12.7021 12.7021 13.0917 13.0917 k = 0.1319 0.2285 0.2449 ( 4698 PWs) bands (ev): -17.0727 -17.0727 -17.0727 -17.0727 -3.8264 -3.8264 -3.8258 -3.8258 -2.0960 -2.0960 -2.0833 -2.0833 -1.7605 -1.7605 -1.7557 -1.7557 0.3433 0.3433 0.3593 0.3593 4.3256 4.3256 4.3591 4.3591 5.0384 5.0384 5.0499 5.0499 5.3080 5.3080 5.3324 5.3324 6.1989 6.1989 6.2059 6.2059 6.5678 6.5678 6.6194 6.6194 8.0905 8.0905 8.2712 8.2712 8.5558 8.5558 8.6352 8.6352 9.6146 9.6146 10.0246 10.0246 11.8998 11.8998 11.9880 11.9880 12.5681 12.5681 12.6442 12.6442 13.0651 13.0651 k = 0.1250 0.2165 0.2449 ( 4702 PWs) bands (ev): -17.0741 -17.0741 -17.0741 -17.0741 -3.8230 -3.8230 -3.8224 -3.8224 -2.0956 -2.0956 -2.0845 -2.0845 -1.7496 -1.7496 -1.7455 -1.7455 0.3335 0.3335 0.3473 0.3473 4.3150 4.3150 4.3430 4.3430 5.0418 5.0418 5.0508 5.0508 5.2944 5.2944 5.3127 5.3127 6.2021 6.2021 6.2153 6.2153 6.5622 6.5622 6.6132 6.6132 8.2022 8.2022 8.3666 8.3666 8.5594 8.5594 8.6084 8.6084 9.6799 9.6799 10.0924 10.0924 11.9322 11.9322 12.0398 12.0398 12.5163 12.5163 12.5843 12.5843 13.0487 13.0487 k = 0.1181 0.2045 0.2449 ( 4714 PWs) bands (ev): -17.0755 -17.0755 -17.0755 -17.0755 -3.8197 -3.8197 -3.8192 -3.8192 -2.0954 -2.0954 -2.0859 -2.0859 -1.7385 -1.7385 -1.7349 -1.7349 0.3238 0.3238 0.3356 0.3356 4.3046 4.3046 4.3278 4.3278 5.0455 5.0455 5.0519 5.0519 5.2810 5.2810 5.2938 5.2938 6.2063 6.2063 6.2243 6.2243 6.5565 6.5565 6.6060 6.6060 8.3091 8.3091 8.4215 8.4215 8.5893 8.5893 8.6029 8.6029 9.7479 9.7479 10.1594 10.1594 11.9548 11.9548 12.0872 12.0872 12.4724 12.4724 12.5249 12.5249 13.0422 13.0422 k = 0.1111 0.1925 0.2449 ( 4704 PWs) bands (ev): -17.0769 -17.0769 -17.0769 -17.0769 -3.8166 -3.8166 -3.8162 -3.8162 -2.0954 -2.0954 -2.0873 -2.0873 -1.7272 -1.7272 -1.7242 -1.7242 0.3142 0.3142 0.3241 0.3241 4.2946 4.2946 4.3136 4.3136 5.0492 5.0492 5.0533 5.0533 5.2680 5.2680 5.2758 5.2758 6.2116 6.2116 6.2329 6.2329 6.5505 6.5505 6.5980 6.5980 8.3925 8.3925 8.4270 8.4270 8.5968 8.5968 8.6961 8.6961 9.8177 9.8177 10.2251 10.2251 11.9625 11.9625 12.1253 12.1253 12.4408 12.4408 12.4705 12.4705 13.0454 13.0454 k = 0.1042 0.1804 0.2449 ( 4708 PWs) bands (ev): -17.0782 -17.0782 -17.0782 -17.0782 -3.8137 -3.8137 -3.8133 -3.8133 -2.0956 -2.0956 -2.0888 -2.0888 -1.7158 -1.7158 -1.7133 -1.7133 0.3047 0.3047 0.3129 0.3129 4.2850 4.2850 4.3003 4.3003 5.0530 5.0530 5.0549 5.0549 5.2553 5.2553 5.2589 5.2589 6.2178 6.2178 6.2412 6.2412 6.5443 6.5443 6.5891 6.5891 8.4118 8.4118 8.4211 8.4211 8.6620 8.6620 8.8103 8.8103 9.8887 9.8887 10.2891 10.2891 11.9514 11.9514 12.1445 12.1445 12.4250 12.4250 12.4301 12.4301 13.0585 13.0585 k = 0.0972 0.1684 0.2449 ( 4708 PWs) bands (ev): -17.0795 -17.0795 -17.0795 -17.0795 -3.8109 -3.8109 -3.8106 -3.8106 -2.0958 -2.0958 -2.0902 -2.0902 -1.7045 -1.7045 -1.7024 -1.7024 0.2954 0.2954 0.3021 0.3021 4.2758 4.2758 4.2879 4.2879 5.0568 5.0568 5.0569 5.0569 5.2429 5.2429 5.2430 5.2430 6.2249 6.2249 6.2493 6.2493 6.5379 6.5379 6.5794 6.5794 8.3898 8.3898 8.4096 8.4096 8.7704 8.7704 8.9322 8.9322 9.9601 9.9601 10.3508 10.3508 11.9212 11.9212 12.1326 12.1326 12.4153 12.4153 12.4249 12.4249 13.0813 13.0813 k = 0.0903 0.1564 0.2449 ( 4716 PWs) bands (ev): -17.0807 -17.0807 -17.0807 -17.0807 -3.8084 -3.8084 -3.8081 -3.8081 -2.0962 -2.0962 -2.0917 -2.0917 -1.6932 -1.6932 -1.6916 -1.6916 0.2863 0.2863 0.2917 0.2917 4.2670 4.2670 4.2764 4.2764 5.0590 5.0590 5.0608 5.0608 5.2282 5.2282 5.2309 5.2309 6.2330 6.2330 6.2573 6.2573 6.5311 6.5311 6.5690 6.5690 8.3651 8.3651 8.3852 8.3852 8.8949 8.8949 9.0577 9.0577 10.0315 10.0315 10.4096 10.4096 11.8748 11.8748 12.0884 12.0884 12.4265 12.4265 12.4370 12.4370 13.1136 13.1136 k = 0.0833 0.1443 0.2449 ( 4704 PWs) bands (ev): -17.0819 -17.0819 -17.0819 -17.0819 -3.8060 -3.8060 -3.8058 -3.8058 -2.0967 -2.0967 -2.0931 -2.0931 -1.6822 -1.6822 -1.6809 -1.6809 0.2775 0.2775 0.2818 0.2818 4.2587 4.2587 4.2658 4.2658 5.0615 5.0615 5.0647 5.0647 5.2146 5.2146 5.2192 5.2192 6.2419 6.2419 6.2653 6.2653 6.5240 6.5240 6.5579 6.5579 8.3394 8.3394 8.3571 8.3571 9.0263 9.0263 9.1855 9.1855 10.1023 10.1023 10.4651 10.4651 11.8163 11.8163 12.0227 12.0227 12.4523 12.4523 12.4569 12.4569 13.1549 13.1549 k = 0.0764 0.1323 0.2449 ( 4702 PWs) bands (ev): -17.0830 -17.0830 -17.0830 -17.0830 -3.8039 -3.8039 -3.8037 -3.8037 -2.0972 -2.0972 -2.0944 -2.0944 -1.6715 -1.6715 -1.6705 -1.6705 0.2690 0.2690 0.2724 0.2724 4.2509 4.2509 4.2562 4.2562 5.0643 5.0643 5.0685 5.0685 5.2021 5.2021 5.2080 5.2080 6.2516 6.2516 6.2734 6.2734 6.5166 6.5166 6.5463 6.5463 8.3137 8.3137 8.3282 8.3282 9.1617 9.1617 9.3146 9.3146 10.1719 10.1719 10.5169 10.5169 11.7492 11.7492 11.9444 11.9444 12.4810 12.4810 12.4832 12.4832 13.2042 13.2042 k = 0.0694 0.1203 0.2449 ( 4686 PWs) bands (ev): -17.0840 -17.0840 -17.0840 -17.0840 -3.8020 -3.8020 -3.8018 -3.8018 -2.0978 -2.0978 -2.0957 -2.0957 -1.6613 -1.6613 -1.6605 -1.6605 0.2610 0.2610 0.2635 0.2635 4.2436 4.2436 4.2474 4.2474 5.0674 5.0674 5.0721 5.0721 5.1908 5.1908 5.1973 5.1973 6.2620 6.2620 6.2816 6.2816 6.5087 6.5087 6.5342 6.5342 8.2885 8.2885 8.2999 8.2999 9.2996 9.2996 9.4445 9.4445 10.2399 10.2399 10.5642 10.5642 11.6757 11.6757 11.8578 11.8578 12.5074 12.5074 12.5149 12.5149 13.2600 13.2600 k = 0.0625 0.1083 0.2449 ( 4682 PWs) bands (ev): -17.0850 -17.0850 -17.0850 -17.0850 -3.8002 -3.8002 -3.8001 -3.8001 -2.0984 -2.0984 -2.0968 -2.0968 -1.6516 -1.6516 -1.6510 -1.6510 0.2534 0.2534 0.2553 0.2553 4.2368 4.2368 4.2396 4.2396 5.0707 5.0707 5.0756 5.0756 5.1805 5.1805 5.1870 5.1870 6.2731 6.2731 6.2902 6.2902 6.5004 6.5004 6.5218 6.5218 8.2643 8.2643 8.2730 8.2730 9.4393 9.4393 9.5749 9.5749 10.3056 10.3056 10.6068 10.6068 11.5969 11.5969 11.7647 11.7647 12.5350 12.5350 12.5457 12.5457 13.3205 13.3205 k = 0.0556 0.0962 0.2449 ( 4686 PWs) bands (ev): -17.0858 -17.0858 -17.0858 -17.0858 -3.7987 -3.7987 -3.7986 -3.7986 -2.0990 -2.0990 -2.0979 -2.0979 -1.6425 -1.6425 -1.6421 -1.6421 0.2464 0.2464 0.2477 0.2477 4.2307 4.2307 4.2326 4.2326 5.0743 5.0743 5.0790 5.0790 5.1712 5.1712 5.1773 5.1773 6.2847 6.2847 6.2990 6.2990 6.4917 6.4917 6.5090 6.5090 8.2416 8.2416 8.2478 8.2478 9.5803 9.5803 9.7051 9.7051 10.3686 10.3686 10.6440 10.6440 11.5136 11.5136 11.6658 11.6658 12.5631 12.5631 12.5750 12.5750 13.3830 13.3832 k = 0.0486 0.0842 0.2449 ( 4678 PWs) bands (ev): -17.0866 -17.0866 -17.0866 -17.0866 -3.7974 -3.7974 -3.7973 -3.7973 -2.0996 -2.0996 -2.0988 -2.0988 -1.6343 -1.6343 -1.6340 -1.6340 0.2400 0.2400 0.2409 0.2409 4.2252 4.2252 4.2264 4.2264 5.0780 5.0780 5.0823 5.0823 5.1629 5.1629 5.1682 5.1682 6.2967 6.2967 6.3082 6.3082 6.4826 6.4826 6.4960 6.4960 8.2206 8.2206 8.2249 8.2249 9.7222 9.7222 9.8350 9.8350 10.4283 10.4283 10.6755 10.6755 11.4261 11.4261 11.5616 11.5616 12.5913 12.5913 12.6027 12.6027 13.4308 13.4308 k = 0.0417 0.0722 0.2449 ( 4682 PWs) bands (ev): -17.0873 -17.0873 -17.0873 -17.0873 -3.7962 -3.7962 -3.7962 -3.7962 -2.1001 -2.1001 -2.0997 -2.0997 -1.6269 -1.6269 -1.6267 -1.6267 0.2343 0.2343 0.2349 0.2349 4.2204 4.2204 4.2211 4.2211 5.0819 5.0819 5.0854 5.0854 5.1554 5.1554 5.1597 5.1597 6.3089 6.3089 6.3176 6.3176 6.4731 6.4731 6.4830 6.4830 8.2017 8.2017 8.2045 8.2045 9.8644 9.8644 9.9640 9.9640 10.4841 10.4841 10.7007 10.7007 11.3345 11.3345 11.4523 11.4523 12.6191 12.6191 12.6286 12.6286 13.4737 13.4737 k = 0.0347 0.0601 0.2449 ( 4686 PWs) bands (ev): -17.0879 -17.0879 -17.0879 -17.0879 -3.7953 -3.7953 -3.7953 -3.7953 -2.1006 -2.1006 -2.1004 -2.1004 -1.6205 -1.6205 -1.6204 -1.6204 0.2293 0.2293 0.2297 0.2297 4.2162 4.2162 4.2166 4.2166 5.0858 5.0858 5.0885 5.0885 5.1488 5.1488 5.1519 5.1519 6.3212 6.3212 6.3274 6.3274 6.4633 6.4633 6.4702 6.4702 8.1852 8.1852 8.1869 8.1869 10.0066 10.0066 10.0919 10.0919 10.5356 10.5356 10.7195 10.7195 11.2391 11.2391 11.3382 11.3382 12.6457 12.6457 12.6527 12.6527 13.5087 13.5087 k = 0.0278 0.0481 0.2449 ( 4682 PWs) bands (ev): -17.0883 -17.0883 -17.0883 -17.0883 -3.7945 -3.7945 -3.7945 -3.7945 -2.1011 -2.1011 -2.1009 -2.1009 -1.6151 -1.6151 -1.6150 -1.6150 0.2252 0.2252 0.2254 0.2254 4.2128 4.2128 4.2130 4.2130 5.0897 5.0897 5.0914 5.0914 5.1430 5.1430 5.1449 5.1449 6.3333 6.3333 6.3372 6.3372 6.4534 6.4534 6.4577 6.4577 8.1713 8.1713 8.1722 8.1722 10.1483 10.1483 10.2182 10.2182 10.5822 10.5822 10.7315 10.7315 11.1399 11.1399 11.2195 11.2195 12.6700 12.6700 12.6744 12.6744 13.5338 13.5338 k = 0.0208 0.0361 0.2449 ( 4682 PWs) bands (ev): -17.0887 -17.0887 -17.0887 -17.0887 -3.7939 -3.7939 -3.7939 -3.7939 -2.1014 -2.1014 -2.1014 -2.1014 -1.6108 -1.6108 -1.6108 -1.6108 0.2219 0.2219 0.2220 0.2220 4.2101 4.2101 4.2102 4.2102 5.0933 5.0933 5.0942 5.0942 5.1379 5.1379 5.1390 5.1390 6.3447 6.3447 6.3468 6.3468 6.4438 6.4438 6.4460 6.4460 8.1603 8.1603 8.1606 8.1606 10.2891 10.2891 10.3424 10.3424 10.6235 10.6235 10.7364 10.7364 11.0370 11.0370 11.0968 11.0968 12.6908 12.6908 12.6929 12.6929 13.5488 13.5488 k = 0.0139 0.0241 0.2449 ( 4686 PWs) bands (ev): -17.0890 -17.0890 -17.0890 -17.0890 -3.7935 -3.7935 -3.7935 -3.7935 -2.1017 -2.1017 -2.1017 -2.1017 -1.6077 -1.6077 -1.6077 -1.6077 0.2195 0.2195 0.2195 0.2195 4.2081 4.2081 4.2082 4.2082 5.0963 5.0963 5.0967 5.0967 5.1338 5.1338 5.1342 5.1342 6.3548 6.3548 6.3555 6.3555 6.4349 6.4349 6.4357 6.4357 8.1522 8.1522 8.1523 8.1523 10.4284 10.4284 10.4641 10.4641 10.6590 10.6590 10.7342 10.7342 10.9309 10.9309 10.9705 10.9705 12.7067 12.7067 12.7074 12.7074 13.5553 13.5553 k = 0.0069 0.0120 0.2449 ( 4684 PWs) bands (ev): -17.0891 -17.0891 -17.0891 -17.0891 -3.7932 -3.7932 -3.7932 -3.7932 -2.1019 -2.1019 -2.1019 -2.1019 -1.6059 -1.6059 -1.6059 -1.6059 0.2181 0.2181 0.2181 0.2181 4.2070 4.2070 4.2070 4.2070 5.0985 5.0985 5.0985 5.0985 5.1310 5.1310 5.1311 5.1311 6.3621 6.3621 6.3622 6.3622 6.4282 6.4282 6.4283 6.4283 8.1473 8.1473 8.1473 8.1473 10.5649 10.5649 10.5818 10.5818 10.6881 10.6881 10.7240 10.7240 10.8233 10.8233 10.8422 10.8422 12.7167 12.7167 12.7168 12.7168 13.5564 13.5566 k = 0.0000 0.0000 0.2449 ( 4692 PWs) bands (ev): -17.0892 -17.0892 -17.0892 -17.0892 -3.7932 -3.7932 -3.7932 -3.7932 -2.1019 -2.1019 -2.1019 -2.1019 -1.6052 -1.6052 -1.6052 -1.6052 0.2176 0.2176 0.2176 0.2176 4.2066 4.2066 4.2066 4.2066 5.0992 5.0992 5.0992 5.0992 5.1300 5.1300 5.1300 5.1300 6.3649 6.3649 6.3649 6.3649 6.4255 6.4255 6.4255 6.4255 8.1456 8.1456 8.1456 8.1456 10.6768 10.6768 10.6768 10.6768 10.6987 10.6987 10.6987 10.6987 10.7428 10.7428 10.7428 10.7428 12.7200 12.7200 12.7200 12.7200 13.5558 13.5558 k = 0.5000 0.2887 0.2449 ( 4648 PWs) bands (ev): -17.0510 -17.0510 -17.0510 -17.0510 -3.8927 -3.8927 -3.8927 -3.8927 -2.1484 -2.1484 -2.1484 -2.1484 -1.8010 -1.8010 -1.8010 -1.8010 0.5039 0.5039 0.5039 0.5039 4.7379 4.7379 4.7379 4.7379 5.0041 5.0041 5.0041 5.0041 5.4347 5.4347 5.4347 5.4347 6.1763 6.1763 6.1763 6.1763 6.5714 6.5714 6.5714 6.5714 6.6526 6.6526 6.6526 6.6526 8.6762 8.6762 8.6762 8.6762 9.4401 9.4401 9.4401 9.4401 11.1852 11.1852 11.1852 11.1852 12.7775 12.7775 12.7775 12.7775 15.1260 15.1260 k = 0.5000 0.2887 0.2313 ( 4662 PWs) bands (ev): -17.0516 -17.0516 -17.0503 -17.0503 -3.8927 -3.8927 -3.8926 -3.8926 -2.1529 -2.1529 -2.1439 -2.1439 -1.8072 -1.8072 -1.7944 -1.7944 0.4790 0.4790 0.5288 0.5288 4.7264 4.7264 4.7489 4.7489 4.9966 4.9966 5.0112 5.0112 5.4040 5.4040 5.4661 5.4661 6.1654 6.1654 6.1873 6.1873 6.5566 6.5566 6.5853 6.5853 6.6395 6.6395 6.6672 6.6672 8.6377 8.6377 8.7149 8.7149 9.4115 9.4115 9.4686 9.4686 11.1463 11.1463 11.2198 11.2198 12.7705 12.7705 12.7935 12.7935 15.0785 15.0785 k = 0.5000 0.2887 0.2177 ( 4680 PWs) bands (ev): -17.0522 -17.0522 -17.0497 -17.0497 -3.8929 -3.8929 -3.8927 -3.8927 -2.1575 -2.1575 -2.1396 -2.1396 -1.8129 -1.8129 -1.7875 -1.7875 0.4543 0.4543 0.5534 0.5534 4.7145 4.7145 4.7595 4.7595 4.9889 4.9889 5.0181 5.0181 5.3743 5.3743 5.4979 5.4979 6.1546 6.1546 6.1983 6.1983 6.5418 6.5418 6.5950 6.5950 6.6312 6.6312 6.6826 6.6826 8.5997 8.5997 8.7536 8.7536 9.3831 9.3831 9.4967 9.4967 11.1040 11.1040 11.2496 11.2496 12.7730 12.7730 12.8175 12.8175 15.0292 15.0292 k = 0.5000 0.2887 0.2041 ( 4680 PWs) bands (ev): -17.0529 -17.0529 -17.0491 -17.0491 -3.8931 -3.8931 -3.8928 -3.8928 -2.1621 -2.1621 -2.1355 -2.1355 -1.8182 -1.8182 -1.7803 -1.7803 0.4298 0.4298 0.5776 0.5776 4.7022 4.7022 4.7696 4.7696 4.9810 4.9810 5.0248 5.0248 5.3458 5.3458 5.5297 5.5297 6.1440 6.1440 6.2092 6.2092 6.5273 6.5273 6.5935 6.5935 6.6346 6.6346 6.6983 6.6983 8.5625 8.5625 8.7920 8.7920 9.3549 9.3549 9.5244 9.5244 11.0590 11.0590 11.2741 11.2741 12.7853 12.7853 12.8486 12.8486 14.9780 14.9780 k = 0.5000 0.2887 0.1905 ( 4680 PWs) bands (ev): -17.0535 -17.0535 -17.0484 -17.0484 -3.8934 -3.8934 -3.8929 -3.8929 -2.1665 -2.1665 -2.1316 -2.1316 -1.8228 -1.8228 -1.7729 -1.7729 0.4059 0.4059 0.6013 0.6013 4.6897 4.6897 4.7792 4.7792 4.9729 4.9729 5.0311 5.0311 5.3187 5.3187 5.5612 5.5612 6.1336 6.1336 6.2201 6.2201 6.5133 6.5133 6.5834 6.5834 6.6468 6.6468 6.7144 6.7144 8.5262 8.5262 8.8298 8.8298 9.3272 9.3272 9.5513 9.5513 11.0123 11.0123 11.2932 11.2932 12.8076 12.8076 12.8858 12.8858 14.9247 14.9247 k = 0.5000 0.2887 0.1769 ( 4688 PWs) bands (ev): -17.0541 -17.0541 -17.0479 -17.0479 -3.8937 -3.8937 -3.8931 -3.8931 -2.1709 -2.1709 -2.1279 -2.1279 -1.8269 -1.8269 -1.7656 -1.7656 0.3827 0.3827 0.6242 0.6242 4.6771 4.6771 4.7882 4.7882 4.9647 4.9647 5.0371 5.0371 5.2932 5.2932 5.5922 5.5922 6.1236 6.1236 6.2308 6.2308 6.4997 6.4997 6.5712 6.5712 6.6614 6.6614 6.7309 6.7309 8.4912 8.4912 8.8667 8.8667 9.3002 9.3002 9.5773 9.5773 10.9647 10.9647 11.3071 11.3071 12.8396 12.8396 12.9282 12.9282 14.8690 14.8690 k = 0.5000 0.2887 0.1633 ( 4692 PWs) bands (ev): -17.0546 -17.0546 -17.0473 -17.0473 -3.8940 -3.8940 -3.8934 -3.8934 -2.1750 -2.1750 -2.1246 -2.1246 -1.8303 -1.8303 -1.7582 -1.7582 0.3603 0.3603 0.6462 0.6462 4.6644 4.6644 4.7967 4.7967 4.9563 4.9563 5.0428 5.0428 5.2696 5.2696 5.6224 5.6224 6.1138 6.1138 6.2414 6.2414 6.4867 6.4867 6.5587 6.5587 6.6763 6.6763 6.7476 6.7476 8.4577 8.4577 8.9024 8.9024 9.2741 9.2741 9.6023 9.6023 10.9170 10.9170 11.3162 11.3162 12.8804 12.8804 12.9748 12.9748 14.8106 14.8106 k = 0.5000 0.2887 0.1496 ( 4696 PWs) bands (ev): -17.0552 -17.0552 -17.0467 -17.0467 -3.8944 -3.8944 -3.8937 -3.8937 -2.1790 -2.1790 -2.1216 -2.1216 -1.8332 -1.8332 -1.7510 -1.7510 0.3389 0.3389 0.6671 0.6671 4.6518 4.6518 4.8047 4.8047 4.9480 4.9480 5.0481 5.0481 5.2479 5.2479 5.6514 5.6514 6.1045 6.1045 6.2517 6.2517 6.4743 6.4743 6.5466 6.5466 6.6906 6.6906 6.7645 6.7645 8.4259 8.4259 8.9366 8.9366 9.2492 9.2492 9.6259 9.6259 10.8701 10.8701 11.3212 11.3212 12.9291 12.9291 13.0250 13.0250 14.7494 14.7494 k = 0.5000 0.2887 0.1360 ( 4692 PWs) bands (ev): -17.0557 -17.0557 -17.0462 -17.0462 -3.8948 -3.8948 -3.8940 -3.8940 -2.1828 -2.1828 -2.1190 -2.1190 -1.8355 -1.8355 -1.7440 -1.7440 0.3187 0.3187 0.6867 0.6867 4.6394 4.6394 4.8123 4.8123 4.9396 4.9396 5.0532 5.0532 5.2281 5.2281 5.6790 5.6790 6.0957 6.0957 6.2619 6.2619 6.4622 6.4622 6.5351 6.5351 6.7042 6.7042 6.7815 6.7815 8.3960 8.3960 8.9691 8.9691 9.2255 9.2255 9.6482 9.6482 10.8247 10.8247 11.3227 11.3227 12.9841 12.9841 13.0782 13.0782 14.6849 14.6849 k = 0.5000 0.2887 0.1224 ( 4702 PWs) bands (ev): -17.0562 -17.0562 -17.0458 -17.0458 -3.8952 -3.8952 -3.8943 -3.8943 -2.1862 -2.1862 -2.1166 -2.1166 -1.8373 -1.8373 -1.7373 -1.7373 0.2999 0.2999 0.7050 0.7050 4.6275 4.6275 4.8193 4.8193 4.9314 4.9314 5.0579 5.0579 5.2104 5.2104 5.7049 5.7049 6.0873 6.0873 6.2718 6.2718 6.4507 6.4507 6.5245 6.5245 6.7166 6.7166 6.7983 6.7983 8.3682 8.3682 8.9995 8.9995 9.2034 9.2034 9.6688 9.6688 10.7815 10.7815 11.3216 11.3216 13.0432 13.0432 13.1346 13.1346 14.6171 14.6171 k = 0.5000 0.2887 0.1088 ( 4698 PWs) bands (ev): -17.0566 -17.0566 -17.0453 -17.0453 -3.8956 -3.8956 -3.8946 -3.8946 -2.1894 -2.1894 -2.1147 -2.1147 -1.8386 -1.8386 -1.7311 -1.7311 0.2826 0.2826 0.7218 0.7218 4.6162 4.6162 4.8258 4.8258 4.9234 4.9234 5.0623 5.0623 5.1946 5.1946 5.7289 5.7289 6.0796 6.0796 6.2814 6.2814 6.4395 6.4395 6.5147 6.5147 6.7279 6.7279 6.8148 6.8148 8.3427 8.3427 9.0276 9.0276 9.1829 9.1829 9.6878 9.6878 10.7410 10.7410 11.3185 11.3185 13.1032 13.1032 13.1953 13.1953 14.5457 14.5457 k = 0.5000 0.2887 0.0952 ( 4690 PWs) bands (ev): -17.0570 -17.0570 -17.0449 -17.0449 -3.8960 -3.8960 -3.8949 -3.8949 -2.1922 -2.1922 -2.1130 -2.1130 -1.8396 -1.8396 -1.7254 -1.7254 0.2670 0.2670 0.7369 0.7369 4.6056 4.6056 4.8320 4.8320 4.9156 4.9156 5.0663 5.0663 5.1808 5.1808 5.7507 5.7507 6.0725 6.0725 6.2907 6.2907 6.4288 6.4288 6.5059 6.5059 6.7379 6.7379 6.8305 6.8305 8.3198 8.3198 9.0531 9.0531 9.1644 9.1644 9.7049 9.7049 10.7038 10.7038 11.3143 11.3143 13.1603 13.1603 13.2621 13.2621 14.4708 14.4708 k = 0.5000 0.2887 0.0816 ( 4686 PWs) bands (ev): -17.0573 -17.0573 -17.0446 -17.0446 -3.8964 -3.8964 -3.8952 -3.8952 -2.1947 -2.1947 -2.1116 -2.1116 -1.8402 -1.8402 -1.7202 -1.7202 0.2531 0.2531 0.7503 0.7503 4.5960 4.5960 4.8377 4.8377 4.9082 4.9082 5.0700 5.0700 5.1688 5.1688 5.7702 5.7702 6.0661 6.0661 6.2997 6.2997 6.4186 6.4186 6.4983 6.4983 6.7465 6.7465 6.8451 6.8451 8.2995 8.2995 9.0756 9.0756 9.1481 9.1481 9.7199 9.7199 10.6705 10.6705 11.3095 11.3095 13.2116 13.2116 13.3360 13.3360 14.3923 14.3923 k = 0.5000 0.2887 0.0680 ( 4692 PWs) bands (ev): -17.0576 -17.0576 -17.0443 -17.0443 -3.8967 -3.8967 -3.8955 -3.8955 -2.1969 -2.1969 -2.1105 -2.1105 -1.8405 -1.8405 -1.7157 -1.7157 0.2412 0.2412 0.7618 0.7618 4.5876 4.5876 4.8431 4.8431 4.9013 4.9013 5.0734 5.0734 5.1586 5.1586 5.7871 5.7871 6.0605 6.0605 6.3084 6.3084 6.4087 6.4087 6.4917 6.4917 6.7539 6.7539 6.8583 6.8583 8.2821 8.2821 9.0948 9.0948 9.1342 9.1342 9.7329 9.7329 10.6415 10.6415 11.3046 11.3046 13.2557 13.2557 13.4163 13.4163 14.3106 14.3106 k = 0.5000 0.2887 0.0544 ( 4692 PWs) bands (ev): -17.0579 -17.0579 -17.0440 -17.0440 -3.8970 -3.8970 -3.8957 -3.8957 -2.1987 -2.1987 -2.1097 -2.1097 -1.8407 -1.8407 -1.7120 -1.7120 0.2313 0.2313 0.7713 0.7713 4.5805 4.5805 4.8481 4.8481 4.8948 4.8948 5.0763 5.0763 5.1503 5.1503 5.8013 5.8013 6.0558 6.0558 6.3167 6.3167 6.3995 6.3995 6.4864 6.4864 6.7599 6.7599 6.8696 6.8696 8.2676 8.2676 9.1091 9.1091 9.1242 9.1242 9.7436 9.7436 10.6172 10.6172 11.3000 11.3000 13.2925 13.2925 13.5014 13.5014 14.2258 14.2258 k = 0.5000 0.2887 0.0408 ( 4692 PWs) bands (ev): -17.0581 -17.0581 -17.0438 -17.0438 -3.8972 -3.8972 -3.8959 -3.8959 -2.2001 -2.2001 -2.1091 -2.1091 -1.8407 -1.8407 -1.7090 -1.7090 0.2235 0.2235 0.7788 0.7788 4.5748 4.5748 4.8529 4.8529 4.8889 4.8889 5.0787 5.0787 5.1436 5.1436 5.8126 5.8126 6.0520 6.0520 6.3244 6.3244 6.3909 6.3909 6.4822 6.4822 6.7646 6.7646 6.8787 6.8787 8.2563 8.2563 9.1095 9.1095 9.1274 9.1274 9.7521 9.7521 10.5979 10.5979 11.2961 11.2961 13.3216 13.3216 13.5898 13.5898 14.1383 14.1383 k = 0.5000 0.2887 0.0272 ( 4696 PWs) bands (ev): -17.0582 -17.0582 -17.0437 -17.0437 -3.8974 -3.8974 -3.8960 -3.8960 -2.2011 -2.2011 -2.1086 -2.1086 -1.8407 -1.8407 -1.7068 -1.7068 0.2179 0.2179 0.7842 0.7842 4.5706 4.5706 4.8572 4.8572 4.8836 4.8836 5.0806 5.0806 5.1388 5.1388 5.8207 5.8207 6.0492 6.0492 6.3313 6.3313 6.3834 6.3834 6.4792 6.4792 6.7680 6.7680 6.8855 6.8855 8.2481 8.2481 9.1038 9.1038 9.1355 9.1355 9.7582 9.7582 10.5839 10.5839 11.2931 11.2931 13.3427 13.3427 13.6805 13.6805 14.0488 14.0488 k = 0.5000 0.2887 0.0136 ( 4698 PWs) bands (ev): -17.0583 -17.0583 -17.0436 -17.0436 -3.8975 -3.8975 -3.8961 -3.8961 -2.2017 -2.2017 -2.1084 -2.1084 -1.8407 -1.8407 -1.7055 -1.7055 0.2145 0.2145 0.7874 0.7874 4.5681 4.5681 4.8607 4.8607 4.8796 4.8796 5.0818 5.0818 5.1359 5.1359 5.8257 5.8257 6.0475 6.0475 6.3365 6.3365 6.3779 6.3779 6.4774 6.4774 6.7700 6.7700 6.8896 6.8896 8.2431 8.2431 9.1000 9.1000 9.1409 9.1409 9.7619 9.7619 10.5755 10.5755 11.2913 11.2913 13.3556 13.3556 13.7723 13.7723 13.9578 13.9578 k = 0.5000 0.2887-0.0000 ( 4714 PWs) bands (ev): -17.0583 -17.0583 -17.0436 -17.0436 -3.8975 -3.8975 -3.8961 -3.8961 -2.2019 -2.2019 -2.1083 -2.1083 -1.8407 -1.8407 -1.7051 -1.7051 0.2133 0.2133 0.7885 0.7885 4.5672 4.5672 4.8622 4.8622 4.8779 4.8779 5.0822 5.0822 5.1349 5.1349 5.8274 5.8274 6.0469 6.0469 6.3385 6.3385 6.3757 6.3757 6.4768 6.4768 6.7707 6.7707 6.8910 6.8910 8.2415 8.2415 9.0986 9.0986 9.1427 9.1427 9.7631 9.7631 10.5726 10.5726 11.2907 11.2907 13.3599 13.3599 13.8558 13.8558 13.8746 13.8746 k = 0.3333 0.5774-0.0000 ( 4668 PWs) bands (ev): -17.0532 -17.0532 -17.0391 -17.0391 -3.8991 -3.8991 -3.8974 -3.8974 -2.1924 -2.1924 -2.0073 -2.0073 -1.9808 -1.9808 -1.8263 -1.8263 0.5346 0.5346 0.6149 0.6149 4.6374 4.6374 4.6512 4.6512 4.8078 4.8078 5.3513 5.3513 5.4863 5.4863 5.6149 5.6149 6.0716 6.0716 6.1760 6.1760 6.5453 6.5453 6.6553 6.6553 6.8369 6.8369 6.9244 6.9244 7.3163 7.3163 8.2548 8.2548 9.4353 9.4353 9.5187 9.5187 11.7350 11.7350 11.7803 11.7803 13.0202 13.0202 13.0682 13.0682 14.4107 14.4107 k = 0.3333 0.5774 0.0136 ( 4668 PWs) bands (ev): -17.0532 -17.0532 -17.0391 -17.0391 -3.8991 -3.8991 -3.8974 -3.8974 -2.1920 -2.1920 -2.0070 -2.0070 -1.9812 -1.9812 -1.8267 -1.8267 0.5347 0.5347 0.6151 0.6151 4.6369 4.6369 4.6510 4.6510 4.8079 4.8079 5.3517 5.3517 5.4863 5.4863 5.6148 5.6148 6.0720 6.0720 6.1761 6.1761 6.5457 6.5457 6.6550 6.6550 6.8333 6.8333 6.9302 6.9302 7.3160 7.3160 8.2524 8.2524 9.4357 9.4357 9.5193 9.5193 11.7319 11.7319 11.7774 11.7774 13.0244 13.0244 13.0723 13.0723 14.4124 14.4124 k = 0.3333 0.5774 0.0272 ( 4674 PWs) bands (ev): -17.0531 -17.0531 -17.0392 -17.0392 -3.8990 -3.8990 -3.8973 -3.8973 -2.1910 -2.1910 -2.0062 -2.0062 -1.9824 -1.9824 -1.8279 -1.8279 0.5348 0.5348 0.6155 0.6155 4.6353 4.6353 4.6503 4.6503 4.8081 4.8081 5.3528 5.3528 5.4860 5.4860 5.6143 5.6143 6.0732 6.0732 6.1762 6.1762 6.5468 6.5468 6.6543 6.6543 6.8246 6.8246 6.9455 6.9455 7.3151 7.3151 8.2453 8.2453 9.4367 9.4367 9.5209 9.5209 11.7229 11.7229 11.7690 11.7690 13.0367 13.0367 13.0843 13.0843 14.4176 14.4176 k = 0.3333 0.5774 0.0408 ( 4665 PWs) bands (ev): -17.0530 -17.0530 -17.0394 -17.0394 -3.8989 -3.8989 -3.8972 -3.8972 -2.1894 -2.1894 -2.0048 -2.0048 -1.9844 -1.9844 -1.8298 -1.8298 0.5350 0.5350 0.6163 0.6163 4.6328 4.6328 4.6492 4.6492 4.8085 4.8085 5.3545 5.3545 5.4856 5.4856 5.6134 5.6134 6.0752 6.0752 6.1764 6.1764 6.5485 6.5485 6.6532 6.6532 6.8139 6.8139 6.9672 6.9672 7.3135 7.3135 8.2336 8.2336 9.4384 9.4384 9.5236 9.5236 11.7085 11.7085 11.7554 11.7554 13.0567 13.0567 13.1040 13.1040 14.4263 14.4263 k = 0.3333 0.5774 0.0544 ( 4659 PWs) bands (ev): -17.0528 -17.0528 -17.0395 -17.0395 -3.8987 -3.8987 -3.8971 -3.8971 -2.1871 -2.1871 -2.0029 -2.0029 -1.9872 -1.9872 -1.8326 -1.8326 0.5354 0.5354 0.6173 0.6173 4.6295 4.6295 4.6476 4.6476 4.8091 4.8091 5.3569 5.3569 5.4851 5.4851 5.6123 5.6123 6.0779 6.0779 6.1766 6.1766 6.5510 6.5510 6.6518 6.6518 6.8031 6.8031 6.9932 6.9932 7.3114 7.3114 8.2173 8.2173 9.4408 9.4408 9.5273 9.5273 11.6894 11.6894 11.7376 11.7376 13.0838 13.0838 13.1306 13.1306 14.4384 14.4384 k = 0.3333 0.5774 0.0680 ( 4650 PWs) bands (ev): -17.0525 -17.0525 -17.0398 -17.0398 -3.8985 -3.8985 -3.8969 -3.8969 -2.1841 -2.1841 -2.0005 -2.0005 -1.9907 -1.9907 -1.8360 -1.8360 0.5358 0.5358 0.6185 0.6185 4.6254 4.6254 4.6458 4.6458 4.8097 4.8097 5.3598 5.3598 5.4844 5.4844 5.6110 5.6110 6.0811 6.0811 6.1769 6.1769 6.5540 6.5540 6.6501 6.6501 6.7928 6.7928 7.0227 7.0227 7.3087 7.3087 8.1967 8.1967 9.4437 9.4437 9.5319 9.5319 11.6664 11.6664 11.7162 11.7162 13.1172 13.1172 13.1634 13.1634 14.4540 14.4540 k = 0.3333 0.5774 0.0816 ( 4647 PWs) bands (ev): -17.0523 -17.0523 -17.0401 -17.0401 -3.8983 -3.8983 -3.8968 -3.8968 -2.1806 -2.1806 -1.9975 -1.9975 -1.9949 -1.9949 -1.8402 -1.8402 0.5362 0.5362 0.6199 0.6199 4.6206 4.6206 4.6437 4.6437 4.8105 4.8105 5.3631 5.3631 5.4836 5.4836 5.6094 5.6094 6.0849 6.0849 6.1773 6.1773 6.5575 6.5575 6.6483 6.6483 6.7833 6.7833 7.0552 7.0552 7.3056 7.3056 8.1719 8.1719 9.4471 9.4471 9.5373 9.5373 11.6406 11.6406 11.6924 11.6924 13.1560 13.1560 13.2016 13.2016 14.4729 14.4729 k = 0.3333 0.5774 0.0952 ( 4671 PWs) bands (ev): -17.0519 -17.0519 -17.0404 -17.0404 -3.8981 -3.8981 -3.8966 -3.8966 -2.1765 -2.1765 -1.9997 -1.9997 -1.9940 -1.9940 -1.8450 -1.8450 0.5367 0.5367 0.6215 0.6215 4.6155 4.6155 4.6413 4.6413 4.8112 4.8112 5.3666 5.3666 5.4828 5.4828 5.6078 5.6078 6.0891 6.0891 6.1776 6.1776 6.5614 6.5614 6.6464 6.6464 6.7746 6.7746 7.0904 7.0904 7.3021 7.3021 8.1432 8.1432 9.4508 9.4508 9.5433 9.5433 11.6129 11.6129 11.6670 11.6670 13.1994 13.1994 13.2446 13.2446 14.4953 14.4953 k = 0.3333 0.5774 0.1088 ( 4689 PWs) bands (ev): -17.0516 -17.0516 -17.0408 -17.0408 -3.8978 -3.8978 -3.8964 -3.8964 -2.1719 -2.1719 -2.0051 -2.0051 -1.9900 -1.9900 -1.8504 -1.8504 0.5373 0.5373 0.6232 0.6232 4.6100 4.6100 4.6389 4.6389 4.8121 4.8121 5.3704 5.3704 5.4819 5.4819 5.6060 5.6060 6.0935 6.0935 6.1780 6.1780 6.5657 6.5657 6.6446 6.6446 6.7668 6.7668 7.1282 7.1282 7.2984 7.2984 8.1108 8.1108 9.4549 9.4549 9.5497 9.5497 11.5842 11.5842 11.6408 11.6408 13.2467 13.2467 13.2914 13.2914 14.5209 14.5209 k = 0.3333 0.5774 0.1224 ( 4695 PWs) bands (ev): -17.0512 -17.0512 -17.0412 -17.0412 -3.8975 -3.8975 -3.8962 -3.8962 -2.1668 -2.1668 -2.0110 -2.0110 -1.9855 -1.9855 -1.8563 -1.8563 0.5378 0.5378 0.6249 0.6249 4.6045 4.6045 4.6363 4.6363 4.8129 4.8129 5.3742 5.3742 5.4810 5.4810 5.6042 5.6042 6.0980 6.0980 6.1783 6.1783 6.5701 6.5701 6.6429 6.6429 6.7598 6.7598 7.1681 7.1681 7.2945 7.2945 8.0751 8.0751 9.4590 9.4590 9.5565 9.5565 11.5555 11.5555 11.6149 11.6149 13.2970 13.2970 13.3414 13.3414 14.5497 14.5497 k = 0.3333 0.5774 0.1360 ( 4695 PWs) bands (ev): -17.0507 -17.0507 -17.0416 -17.0416 -3.8973 -3.8973 -3.8960 -3.8960 -2.1613 -2.1613 -2.0173 -2.0173 -1.9806 -1.9806 -1.8626 -1.8626 0.5384 0.5384 0.6266 0.6266 4.5990 4.5990 4.6339 4.6339 4.8137 4.8137 5.3779 5.3779 5.4801 5.4801 5.6025 5.6025 6.1026 6.1026 6.1786 6.1786 6.5747 6.5747 6.6414 6.6414 6.7536 6.7536 7.2101 7.2101 7.2905 7.2905 8.0365 8.0365 9.4633 9.4633 9.5633 9.5633 11.5276 11.5276 11.5898 11.5898 13.3497 13.3497 13.3939 13.3939 14.5813 14.5813 k = 0.3333 0.5774 0.1496 ( 4701 PWs) bands (ev): -17.0502 -17.0502 -17.0421 -17.0421 -3.8970 -3.8970 -3.8958 -3.8958 -2.1555 -2.1555 -2.0239 -2.0239 -1.9752 -1.9752 -1.8693 -1.8693 0.5389 0.5389 0.6283 0.6283 4.5937 4.5937 4.6315 4.6315 4.8144 4.8144 5.3814 5.3814 5.4792 5.4792 5.6008 5.6008 6.1069 6.1069 6.1789 6.1789 6.5791 6.5791 6.6400 6.6400 6.7480 6.7480 7.2539 7.2539 7.2866 7.2866 7.9954 7.9954 9.4674 9.4674 9.5701 9.5701 11.5012 11.5012 11.5662 11.5662 13.4039 13.4039 13.4480 13.4480 14.6147 14.6147 k = 0.3333 0.5774 0.1633 ( 4695 PWs) bands (ev): -17.0497 -17.0497 -17.0426 -17.0426 -3.8968 -3.8968 -3.8956 -3.8956 -2.1494 -2.1494 -2.0306 -2.0306 -1.9695 -1.9695 -1.8764 -1.8764 0.5394 0.5394 0.6299 0.6299 4.5888 4.5888 4.6292 4.6292 4.8151 4.8151 5.3847 5.3847 5.4784 5.4784 5.5993 5.5993 6.1110 6.1110 6.1792 6.1792 6.5833 6.5833 6.6389 6.6389 6.7432 6.7432 7.2828 7.2828 7.2989 7.2989 7.9523 7.9523 9.4713 9.4713 9.5765 9.5765 11.4770 11.4770 11.5446 11.5446 13.4587 13.4587 13.5030 13.5030 14.6382 14.6382 k = 0.3333 0.5774 0.1769 ( 4689 PWs) bands (ev): -17.0492 -17.0492 -17.0432 -17.0432 -3.8966 -3.8966 -3.8954 -3.8954 -2.1433 -2.1433 -2.0374 -2.0374 -1.9634 -1.9634 -1.8836 -1.8836 0.5399 0.5399 0.6313 0.6313 4.5844 4.5844 4.6273 4.6273 4.8157 4.8157 5.3876 5.3876 5.4777 5.4777 5.5980 5.5980 6.1147 6.1147 6.1794 6.1794 6.5872 6.5872 6.6380 6.6380 6.7390 6.7390 7.2794 7.2794 7.3447 7.3447 7.9080 7.9080 9.4748 9.4748 9.5824 9.5824 11.4554 11.4554 11.5256 11.5256 13.5127 13.5127 13.5576 13.5576 14.5887 14.5887 k = 0.3333 0.5774 0.1905 ( 4689 PWs) bands (ev): -17.0486 -17.0486 -17.0438 -17.0438 -3.8964 -3.8964 -3.8952 -3.8952 -2.1373 -2.1373 -2.0440 -2.0440 -1.9572 -1.9572 -1.8909 -1.8909 0.5403 0.5403 0.6326 0.6326 4.5807 4.5807 4.6255 4.6255 4.8162 4.8162 5.3901 5.3901 5.4771 5.4771 5.5968 5.5968 6.1179 6.1179 6.1795 6.1795 6.5905 6.5905 6.6374 6.6374 6.7356 6.7356 7.2765 7.2765 7.3905 7.3905 7.8632 7.8632 9.4779 9.4779 9.5875 9.5875 11.4371 11.4371 11.5096 11.5096 13.5644 13.5644 13.6102 13.6102 14.5180 14.5180 k = 0.3333 0.5774 0.2041 ( 4689 PWs) bands (ev): -17.0480 -17.0480 -17.0443 -17.0443 -3.8963 -3.8963 -3.8951 -3.8951 -2.1317 -2.1317 -2.0500 -2.0500 -1.9508 -1.9508 -1.8980 -1.8980 0.5406 0.5406 0.6336 0.6336 4.5777 4.5777 4.6242 4.6242 4.8167 4.8167 5.3921 5.3921 5.4766 5.4766 5.5959 5.5959 6.1205 6.1205 6.1796 6.1796 6.5933 6.5933 6.6369 6.6369 6.7328 6.7328 7.2740 7.2740 7.4349 7.4349 7.8195 7.8195 9.4804 9.4804 9.5917 9.5917 11.4225 11.4225 11.4967 11.4967 13.6111 13.6111 13.6583 13.6583 14.4541 14.4541 k = 0.3333 0.5774 0.2177 ( 4689 PWs) bands (ev): -17.0474 -17.0474 -17.0449 -17.0449 -3.8961 -3.8961 -3.8950 -3.8950 -2.1270 -2.1270 -2.0550 -2.0550 -1.9448 -1.9448 -1.9047 -1.9047 0.5409 0.5409 0.6343 0.6343 4.5754 4.5754 4.6232 4.6232 4.8170 4.8170 5.3935 5.3935 5.4762 5.4762 5.5952 5.5952 6.1225 6.1225 6.1797 6.1797 6.5953 6.5953 6.6366 6.6366 6.7308 6.7308 7.2722 7.2722 7.4753 7.4753 7.7795 7.7795 9.4823 9.4823 9.5948 9.5948 11.4118 11.4118 11.4874 11.4874 13.6495 13.6495 13.6983 13.6983 14.4024 14.4024 k = 0.3333 0.5774 0.2313 ( 4695 PWs) bands (ev): -17.0468 -17.0468 -17.0456 -17.0456 -3.8961 -3.8961 -3.8949 -3.8949 -2.1238 -2.1238 -2.0585 -2.0585 -1.9398 -1.9398 -1.9101 -1.9101 0.5410 0.5410 0.6347 0.6347 4.5741 4.5741 4.6225 4.6225 4.8171 4.8171 5.3944 5.3944 5.4760 5.4760 5.5948 5.5948 6.1236 6.1236 6.1797 6.1797 6.5966 6.5966 6.6364 6.6364 6.7296 6.7296 7.2711 7.2711 7.5063 7.5063 7.7487 7.7487 9.4834 9.4834 9.5967 9.5967 11.4052 11.4052 11.4817 11.4817 13.6754 13.6754 13.7256 13.7256 14.3680 14.3680 k = 0.3333 0.5774 0.2449 ( 4704 PWs) bands (ev): -17.0463 -17.0463 -17.0461 -17.0461 -3.8961 -3.8961 -3.8949 -3.8949 -2.1227 -2.1227 -2.0597 -2.0597 -1.9376 -1.9376 -1.9123 -1.9123 0.5411 0.5411 0.6349 0.6349 4.5736 4.5736 4.6223 4.6223 4.8172 4.8172 5.3947 5.3947 5.4759 5.4759 5.5947 5.5947 6.1240 6.1240 6.1797 6.1797 6.5970 6.5970 6.6364 6.6364 6.7292 6.7292 7.2707 7.2707 7.5187 7.5187 7.7364 7.7364 9.4838 9.4838 9.5973 9.5973 11.4030 11.4030 11.4798 11.4798 13.6845 13.6845 13.7354 13.7354 14.3568 14.3584 Writing output data file BaPAu.save init_run : 0.54s CPU 0.76s WALL ( 1 calls) electrons : 281.54s CPU 285.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 281.54s CPU 285.48s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 291 calls) cegterg : 267.23s CPU 270.67s WALL ( 747 calls) Called by sum_band: Called by *egterg: h_psi : 123.45s CPU 125.63s WALL ( 12971 calls) s_psi : 13.96s CPU 14.01s WALL ( 12971 calls) g_psi : 0.44s CPU 0.42s WALL ( 11933 calls) cdiaghg : 106.32s CPU 107.47s WALL ( 12224 calls) cegterg:over : 12.28s CPU 12.44s WALL ( 11933 calls) cegterg:upda : 11.35s CPU 11.55s WALL ( 11933 calls) cegterg:last : 4.96s CPU 5.04s WALL ( 1620 calls) cdiaghg:chol : 6.23s CPU 6.12s WALL ( 12224 calls) cdiaghg:inve : 4.17s CPU 4.25s WALL ( 12224 calls) cdiaghg:para : 6.75s CPU 6.71s WALL ( 24448 calls) Called by h_psi: h_psi:vloc : 94.98s CPU 96.85s WALL ( 12971 calls) h_psi:vnl : 27.96s CPU 28.34s WALL ( 12971 calls) add_vuspsi : 15.36s CPU 15.66s WALL ( 12971 calls) General routines calbec : 12.55s CPU 12.65s WALL ( 12971 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.01s CPU 84.61s WALL ( 1219832 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.24s WALL ( 582 calls) Parallel routines fft_scatter : 32.62s CPU 33.57s WALL ( 1219855 calls) PWSCF : 5m 0.76s CPU 5m15.34s WALL This run was terminated on: 13:34:39 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=