Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 21:52: 8 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Zr5GeSb3.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 50 13 2202 1646 239 Max 62 51 14 2205 1670 246 Sum 4357 3619 1003 158623 119191 17481 bravais-lattice index = 14 lattice parameter (alat) = 16.1747 a.u. unit-cell volume = 2495.5593 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.174732 celldm(2)= 1.000000 celldm(3)= 0.680967 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 0.680967 ) 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 1.468500 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3404835 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3404835 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3404835 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3404835 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3404835 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3404835 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3404835 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3404835 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3404835 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3404835 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3404835 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3404835 ) 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= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0047619 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0047619 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0047619 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0047619 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0047619 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0047619 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0047619 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0047619 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0047619 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0047619 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0047619 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0047619 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0047619 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0047619 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0047619 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0047619 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0047619 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0047619 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0047619 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0047619 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0047619 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0047619 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0047619 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0047619 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0047619 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0047619 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0047619 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0047619 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0047619 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0047619 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0047619 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0047619 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 39) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0047619 k( 40) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0047619 k( 41) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0047619 k( 42) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0047619 k( 43) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0047619 k( 44) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0047619 k( 45) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0047619 k( 46) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0047619 k( 47) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0047619 k( 48) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0047619 k( 49) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0047619 k( 50) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0047619 k( 51) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0047619 k( 52) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0047619 k( 53) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0047619 k( 54) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0047619 k( 55) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0047619 k( 56) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0047619 k( 57) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0047619 k( 58) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0047619 k( 59) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0047619 k( 60) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0047619 k( 61) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0047619 k( 62) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0047619 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 65) = ( 0.0000000 0.0000000 0.0271944), wk = 0.0047619 k( 66) = ( 0.0000000 0.0000000 0.0543889), wk = 0.0047619 k( 67) = ( 0.0000000 0.0000000 0.0815833), wk = 0.0047619 k( 68) = ( 0.0000000 0.0000000 0.1087778), wk = 0.0047619 k( 69) = ( 0.0000000 0.0000000 0.1359722), wk = 0.0047619 k( 70) = ( 0.0000000 0.0000000 0.1631667), wk = 0.0047619 k( 71) = ( 0.0000000 0.0000000 0.1903611), wk = 0.0047619 k( 72) = ( 0.0000000 0.0000000 0.2175556), wk = 0.0047619 k( 73) = ( 0.0000000 0.0000000 0.2447500), wk = 0.0047619 k( 74) = ( 0.0000000 0.0000000 0.2719445), wk = 0.0047619 k( 75) = ( 0.0000000 0.0000000 0.2991389), wk = 0.0047619 k( 76) = ( 0.0000000 0.0000000 0.3263334), wk = 0.0047619 k( 77) = ( 0.0000000 0.0000000 0.3535278), wk = 0.0047619 k( 78) = ( 0.0000000 0.0000000 0.3807223), wk = 0.0047619 k( 79) = ( 0.0000000 0.0000000 0.4079167), wk = 0.0047619 k( 80) = ( 0.0000000 0.0000000 0.4351112), wk = 0.0047619 k( 81) = ( 0.0000000 0.0000000 0.4623056), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.4895000), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.5166945), wk = 0.0047619 k( 84) = ( 0.0000000 0.0000000 0.5438889), wk = 0.0047619 k( 85) = ( 0.0000000 0.0000000 0.5710834), wk = 0.0047619 k( 86) = ( 0.0000000 0.0000000 0.5982778), wk = 0.0047619 k( 87) = ( 0.0000000 0.0000000 0.6254723), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.6526667), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.6798612), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.7070556), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.7342501), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.7342501), wk = 0.0047619 k( 93) = ( 0.0227273 0.0131216 0.7342501), wk = 0.0047619 k( 94) = ( 0.0454546 0.0262432 0.7342501), wk = 0.0047619 k( 95) = ( 0.0681818 0.0393648 0.7342501), wk = 0.0047619 k( 96) = ( 0.0909091 0.0524864 0.7342501), wk = 0.0047619 k( 97) = ( 0.1136364 0.0656080 0.7342501), wk = 0.0047619 k( 98) = ( 0.1363636 0.0787296 0.7342501), wk = 0.0047619 k( 99) = ( 0.1590909 0.0918512 0.7342501), wk = 0.0047619 k( 100) = ( 0.1818182 0.1049728 0.7342501), wk = 0.0047619 k( 101) = ( 0.2045454 0.1180944 0.7342501), wk = 0.0047619 k( 102) = ( 0.2272727 0.1312160 0.7342501), wk = 0.0047619 k( 103) = ( 0.2500000 0.1443376 0.7342501), wk = 0.0047619 k( 104) = ( 0.2727273 0.1574592 0.7342501), wk = 0.0047619 k( 105) = ( 0.2954545 0.1705808 0.7342501), wk = 0.0047619 k( 106) = ( 0.3181818 0.1837024 0.7342501), wk = 0.0047619 k( 107) = ( 0.3409091 0.1968240 0.7342501), wk = 0.0047619 k( 108) = ( 0.3636364 0.2099456 0.7342501), wk = 0.0047619 k( 109) = ( 0.3863636 0.2230672 0.7342501), wk = 0.0047619 k( 110) = ( 0.4090909 0.2361887 0.7342501), wk = 0.0047619 k( 111) = ( 0.4318182 0.2493103 0.7342501), wk = 0.0047619 k( 112) = ( 0.4545455 0.2624319 0.7342501), wk = 0.0047619 k( 113) = ( 0.4772727 0.2755535 0.7342501), wk = 0.0047619 k( 114) = ( 0.5000000 0.2886751 0.7342501), wk = 0.0047619 k( 115) = ( 0.5000000 0.2886751 0.7342501), wk = 0.0047619 k( 116) = ( 0.4871795 0.3108809 0.7342501), wk = 0.0047619 k( 117) = ( 0.4743590 0.3330867 0.7342501), wk = 0.0047619 k( 118) = ( 0.4615385 0.3552925 0.7342501), wk = 0.0047619 k( 119) = ( 0.4487179 0.3774983 0.7342501), wk = 0.0047619 k( 120) = ( 0.4358974 0.3997040 0.7342501), wk = 0.0047619 k( 121) = ( 0.4230769 0.4219098 0.7342501), wk = 0.0047619 k( 122) = ( 0.4102564 0.4441156 0.7342501), wk = 0.0047619 k( 123) = ( 0.3974359 0.4663214 0.7342501), wk = 0.0047619 k( 124) = ( 0.3846154 0.4885271 0.7342501), wk = 0.0047619 k( 125) = ( 0.3717949 0.5107329 0.7342501), wk = 0.0047619 k( 126) = ( 0.3589744 0.5329387 0.7342501), wk = 0.0047619 k( 127) = ( 0.3461538 0.5551445 0.7342501), wk = 0.0047619 k( 128) = ( 0.3333333 0.5773503 0.7342501), wk = 0.0047619 k( 129) = ( 0.3333333 0.5773503 0.7342501), wk = 0.0047619 k( 130) = ( 0.3200000 0.5542563 0.7342501), wk = 0.0047619 k( 131) = ( 0.3066667 0.5311623 0.7342501), wk = 0.0047619 k( 132) = ( 0.2933333 0.5080682 0.7342501), wk = 0.0047619 k( 133) = ( 0.2800000 0.4849742 0.7342501), wk = 0.0047619 k( 134) = ( 0.2666667 0.4618802 0.7342501), wk = 0.0047619 k( 135) = ( 0.2533333 0.4387862 0.7342501), wk = 0.0047619 k( 136) = ( 0.2400000 0.4156922 0.7342501), wk = 0.0047619 k( 137) = ( 0.2266667 0.3925982 0.7342501), wk = 0.0047619 k( 138) = ( 0.2133333 0.3695042 0.7342501), wk = 0.0047619 k( 139) = ( 0.2000000 0.3464102 0.7342501), wk = 0.0047619 k( 140) = ( 0.1866667 0.3233162 0.7342501), wk = 0.0047619 k( 141) = ( 0.1733333 0.3002221 0.7342501), wk = 0.0047619 k( 142) = ( 0.1600000 0.2771281 0.7342501), wk = 0.0047619 k( 143) = ( 0.1466667 0.2540341 0.7342501), wk = 0.0047619 k( 144) = ( 0.1333333 0.2309401 0.7342501), wk = 0.0047619 k( 145) = ( 0.1200000 0.2078461 0.7342501), wk = 0.0047619 k( 146) = ( 0.1066667 0.1847521 0.7342501), wk = 0.0047619 k( 147) = ( 0.0933333 0.1616581 0.7342501), wk = 0.0047619 k( 148) = ( 0.0800000 0.1385641 0.7342501), wk = 0.0047619 k( 149) = ( 0.0666667 0.1154701 0.7342501), wk = 0.0047619 k( 150) = ( 0.0533333 0.0923760 0.7342501), wk = 0.0047619 k( 151) = ( 0.0400000 0.0692820 0.7342501), wk = 0.0047619 k( 152) = ( 0.0266667 0.0461880 0.7342501), wk = 0.0047619 k( 153) = ( 0.0133333 0.0230940 0.7342501), wk = 0.0047619 k( 154) = ( 0.0000000 0.0000000 0.7342501), wk = 0.0047619 k( 155) = ( 0.5000000 0.2886751 0.7342501), wk = 0.0047619 k( 156) = ( 0.5000000 0.2886751 0.7070556), wk = 0.0047619 k( 157) = ( 0.5000000 0.2886751 0.6798612), wk = 0.0047619 k( 158) = ( 0.5000000 0.2886751 0.6526667), wk = 0.0047619 k( 159) = ( 0.5000000 0.2886751 0.6254723), wk = 0.0047619 k( 160) = ( 0.5000000 0.2886751 0.5982778), wk = 0.0047619 k( 161) = ( 0.5000000 0.2886751 0.5710834), wk = 0.0047619 k( 162) = ( 0.5000000 0.2886751 0.5438889), wk = 0.0047619 k( 163) = ( 0.5000000 0.2886751 0.5166945), wk = 0.0047619 k( 164) = ( 0.5000000 0.2886751 0.4895000), wk = 0.0047619 k( 165) = ( 0.5000000 0.2886751 0.4623056), wk = 0.0047619 k( 166) = ( 0.5000000 0.2886751 0.4351112), wk = 0.0047619 k( 167) = ( 0.5000000 0.2886751 0.4079167), wk = 0.0047619 k( 168) = ( 0.5000000 0.2886751 0.3807223), wk = 0.0047619 k( 169) = ( 0.5000000 0.2886751 0.3535278), wk = 0.0047619 k( 170) = ( 0.5000000 0.2886751 0.3263334), wk = 0.0047619 k( 171) = ( 0.5000000 0.2886751 0.2991389), wk = 0.0047619 k( 172) = ( 0.5000000 0.2886751 0.2719445), wk = 0.0047619 k( 173) = ( 0.5000000 0.2886751 0.2447500), wk = 0.0047619 k( 174) = ( 0.5000000 0.2886751 0.2175556), wk = 0.0047619 k( 175) = ( 0.5000000 0.2886751 0.1903611), wk = 0.0047619 k( 176) = ( 0.5000000 0.2886751 0.1631667), wk = 0.0047619 k( 177) = ( 0.5000000 0.2886751 0.1359722), wk = 0.0047619 k( 178) = ( 0.5000000 0.2886751 0.1087778), wk = 0.0047619 k( 179) = ( 0.5000000 0.2886751 0.0815833), wk = 0.0047619 k( 180) = ( 0.5000000 0.2886751 0.0543889), wk = 0.0047619 k( 181) = ( 0.5000000 0.2886751 0.0271944), wk = 0.0047619 k( 182) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 183) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 184) = ( 0.3333333 0.5773503 0.0271944), wk = 0.0047619 k( 185) = ( 0.3333333 0.5773503 0.0543889), wk = 0.0047619 k( 186) = ( 0.3333333 0.5773503 0.0815833), wk = 0.0047619 k( 187) = ( 0.3333333 0.5773503 0.1087778), wk = 0.0047619 k( 188) = ( 0.3333333 0.5773503 0.1359722), wk = 0.0047619 k( 189) = ( 0.3333333 0.5773503 0.1631667), wk = 0.0047619 k( 190) = ( 0.3333333 0.5773503 0.1903611), wk = 0.0047619 k( 191) = ( 0.3333333 0.5773503 0.2175556), wk = 0.0047619 k( 192) = ( 0.3333333 0.5773503 0.2447500), wk = 0.0047619 k( 193) = ( 0.3333333 0.5773503 0.2719445), wk = 0.0047619 k( 194) = ( 0.3333333 0.5773503 0.2991389), wk = 0.0047619 k( 195) = ( 0.3333333 0.5773503 0.3263334), wk = 0.0047619 k( 196) = ( 0.3333333 0.5773503 0.3535278), wk = 0.0047619 k( 197) = ( 0.3333333 0.5773503 0.3807223), wk = 0.0047619 k( 198) = ( 0.3333333 0.5773503 0.4079167), wk = 0.0047619 k( 199) = ( 0.3333333 0.5773503 0.4351112), wk = 0.0047619 k( 200) = ( 0.3333333 0.5773503 0.4623056), wk = 0.0047619 k( 201) = ( 0.3333333 0.5773503 0.4895000), wk = 0.0047619 k( 202) = ( 0.3333333 0.5773503 0.5166945), wk = 0.0047619 k( 203) = ( 0.3333333 0.5773503 0.5438889), wk = 0.0047619 k( 204) = ( 0.3333333 0.5773503 0.5710834), wk = 0.0047619 k( 205) = ( 0.3333333 0.5773503 0.5982778), wk = 0.0047619 k( 206) = ( 0.3333333 0.5773503 0.6254723), wk = 0.0047619 k( 207) = ( 0.3333333 0.5773503 0.6526667), wk = 0.0047619 k( 208) = ( 0.3333333 0.5773503 0.6798612), wk = 0.0047619 k( 209) = ( 0.3333333 0.5773503 0.7070556), wk = 0.0047619 k( 210) = ( 0.3333333 0.5773503 0.7342501), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0047619 k( 3) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0047619 k( 5) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0047619 k( 6) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0047619 k( 7) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0047619 k( 8) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0047619 k( 9) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0047619 k( 10) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0047619 k( 11) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0047619 k( 12) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0047619 k( 13) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0047619 k( 14) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0047619 k( 15) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0047619 k( 16) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0047619 k( 17) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0047619 k( 18) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0047619 k( 19) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0047619 k( 20) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0047619 k( 21) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0047619 k( 22) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0047619 k( 23) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0047619 k( 24) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0047619 k( 25) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0047619 k( 26) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0047619 k( 27) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0047619 k( 28) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0047619 k( 29) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0047619 k( 30) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0047619 k( 31) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0047619 k( 32) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0047619 k( 33) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0047619 k( 34) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0047619 k( 35) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0047619 k( 36) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0047619 k( 37) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047619 k( 38) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047619 k( 39) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0047619 k( 40) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0047619 k( 41) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0047619 k( 42) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0047619 k( 43) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0047619 k( 44) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0047619 k( 45) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0047619 k( 46) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0047619 k( 47) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0047619 k( 48) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0047619 k( 49) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0047619 k( 50) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0047619 k( 51) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0047619 k( 52) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0047619 k( 53) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0047619 k( 54) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0047619 k( 55) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0047619 k( 56) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0047619 k( 57) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0047619 k( 58) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0047619 k( 59) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0047619 k( 60) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0047619 k( 61) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0047619 k( 62) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0047619 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 65) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0047619 k( 66) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0047619 k( 67) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0047619 k( 68) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0047619 k( 69) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0047619 k( 70) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0047619 k( 71) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0047619 k( 72) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0047619 k( 73) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0047619 k( 74) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0047619 k( 75) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0047619 k( 76) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0047619 k( 77) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0047619 k( 78) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0047619 k( 79) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0047619 k( 80) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0047619 k( 81) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0047619 k( 84) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0047619 k( 85) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0047619 k( 86) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0047619 k( 87) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 93) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0047619 k( 94) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0047619 k( 95) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0047619 k( 96) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0047619 k( 97) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0047619 k( 98) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0047619 k( 99) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0047619 k( 100) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0047619 k( 101) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0047619 k( 102) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0047619 k( 103) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0047619 k( 104) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0047619 k( 105) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0047619 k( 106) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0047619 k( 107) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0047619 k( 108) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0047619 k( 109) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0047619 k( 110) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0047619 k( 111) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0047619 k( 112) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0047619 k( 113) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0047619 k( 114) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 115) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 116) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0047619 k( 117) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0047619 k( 118) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0047619 k( 119) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0047619 k( 120) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0047619 k( 121) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0047619 k( 122) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0047619 k( 123) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0047619 k( 124) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0047619 k( 125) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0047619 k( 126) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0047619 k( 127) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0047619 k( 128) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 k( 129) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 k( 130) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0047619 k( 131) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0047619 k( 132) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0047619 k( 133) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0047619 k( 134) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0047619 k( 135) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0047619 k( 136) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0047619 k( 137) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0047619 k( 138) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0047619 k( 139) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0047619 k( 140) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0047619 k( 141) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0047619 k( 142) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0047619 k( 143) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0047619 k( 144) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0047619 k( 145) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0047619 k( 146) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0047619 k( 147) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0047619 k( 148) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0047619 k( 149) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0047619 k( 150) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0047619 k( 151) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0047619 k( 152) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0047619 k( 153) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0047619 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 155) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 156) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0047619 k( 157) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0047619 k( 158) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0047619 k( 159) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0047619 k( 160) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0047619 k( 161) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0047619 k( 162) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0047619 k( 163) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0047619 k( 164) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0047619 k( 165) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0047619 k( 166) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0047619 k( 167) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0047619 k( 168) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0047619 k( 169) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0047619 k( 170) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0047619 k( 171) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0047619 k( 172) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0047619 k( 173) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0047619 k( 174) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0047619 k( 175) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0047619 k( 176) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0047619 k( 177) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0047619 k( 178) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0047619 k( 179) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0047619 k( 180) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0047619 k( 181) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0047619 k( 182) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0047619 k( 183) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047619 k( 184) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0047619 k( 185) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0047619 k( 186) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0047619 k( 187) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0047619 k( 188) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0047619 k( 189) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0047619 k( 190) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0047619 k( 191) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0047619 k( 192) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0047619 k( 193) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0047619 k( 194) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0047619 k( 195) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0047619 k( 196) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0047619 k( 197) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0047619 k( 198) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0047619 k( 199) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0047619 k( 200) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0047619 k( 201) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 202) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0047619 k( 203) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0047619 k( 204) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0047619 k( 205) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0047619 k( 206) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0047619 k( 207) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0047619 k( 208) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0047619 k( 209) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0047619 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 Dense grid: 158623 G-vectors FFT dimensions: ( 81, 81, 60) Smooth grid: 119191 G-vectors FFT dimensions: ( 75, 75, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.61 Mb ( 426, 94) NL pseudopotentials 1.27 Mb ( 213, 392) Each V/rho on FFT grid 0.10 Mb ( 6561) Each G-vector array 0.02 Mb ( 2204) G-vector shells 0.01 Mb ( 1089) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.44 Mb ( 426, 376) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 1.12 Mb ( 392, 2, 94) The potential is recalculated from file : ./Zr5GeSb3.save/charge-density.dat Starting wfc are 244 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.3 secs Computing kpt #: 2 total cpu time spent up to now is 10.2 secs Computing kpt #: 3 total cpu time spent up to now is 14.3 secs Computing kpt #: 4 total cpu time spent up to now is 18.5 secs Computing kpt #: 5 total cpu time spent up to now is 22.9 secs Computing kpt #: 6 total cpu time spent up to now is 28.0 secs Computing kpt #: 7 total cpu time spent up to now is 33.2 secs Computing kpt #: 8 total cpu time spent up to now is 39.0 secs Computing kpt #: 9 total cpu time spent up to now is 44.9 secs Computing kpt #: 10 total cpu time spent up to now is 51.4 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.3 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.2 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.0 secs Computing kpt #: 14 total cpu time spent up to now is 78.8 secs Computing kpt #: 15 total cpu time spent up to now is 84.5 secs Computing kpt #: 16 total cpu time spent up to now is 89.5 secs Computing kpt #: 17 total cpu time spent up to now is 94.4 secs Computing kpt #: 18 total cpu time spent up to now is 99.4 secs Computing kpt #: 19 total cpu time spent up to now is 104.4 secs Computing kpt #: 20 total cpu time spent up to now is 109.7 secs Computing kpt #: 21 total cpu time spent up to now is 116.5 secs Computing kpt #: 22 total cpu time spent up to now is 123.0 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.9 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.9 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.8 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.6 secs Computing kpt #: 28 total cpu time spent up to now is 164.0 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 177.7 secs Computing kpt #: 31 total cpu time spent up to now is 184.0 secs Computing kpt #: 32 total cpu time spent up to now is 189.6 secs Computing kpt #: 33 total cpu time spent up to now is 196.4 secs Computing kpt #: 34 total cpu time spent up to now is 203.3 secs Computing kpt #: 35 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 210.3 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.1 secs Computing kpt #: 37 total cpu time spent up to now is 222.2 secs Computing kpt #: 38 total cpu time spent up to now is 227.8 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 234.8 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.2 secs Computing kpt #: 41 total cpu time spent up to now is 246.5 secs Computing kpt #: 42 total cpu time spent up to now is 250.8 secs Computing kpt #: 43 total cpu time spent up to now is 255.1 secs Computing kpt #: 44 total cpu time spent up to now is 259.4 secs Computing kpt #: 45 total cpu time spent up to now is 263.7 secs Computing kpt #: 46 total cpu time spent up to now is 268.0 secs Computing kpt #: 47 total cpu time spent up to now is 272.3 secs Computing kpt #: 48 total cpu time spent up to now is 276.8 secs Computing kpt #: 49 total cpu time spent up to now is 281.7 secs Computing kpt #: 50 total cpu time spent up to now is 287.1 secs Computing kpt #: 51 total cpu time spent up to now is 293.3 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.3 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.4 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.4 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.4 secs Computing kpt #: 56 total cpu time spent up to now is 326.4 secs Computing kpt #: 57 total cpu time spent up to now is 331.8 secs Computing kpt #: 58 total cpu time spent up to now is 336.4 secs Computing kpt #: 59 total cpu time spent up to now is 340.7 secs Computing kpt #: 60 total cpu time spent up to now is 345.0 secs Computing kpt #: 61 total cpu time spent up to now is 349.0 secs Computing kpt #: 62 total cpu time spent up to now is 353.1 secs Computing kpt #: 63 total cpu time spent up to now is 357.0 secs Computing kpt #: 64 total cpu time spent up to now is 361.1 secs Computing kpt #: 65 total cpu time spent up to now is 365.1 secs Computing kpt #: 66 total cpu time spent up to now is 369.2 secs Computing kpt #: 67 total cpu time spent up to now is 373.3 secs Computing kpt #: 68 total cpu time spent up to now is 377.5 secs Computing kpt #: 69 total cpu time spent up to now is 381.6 secs Computing kpt #: 70 total cpu time spent up to now is 385.8 secs Computing kpt #: 71 total cpu time spent up to now is 389.9 secs Computing kpt #: 72 total cpu time spent up to now is 394.5 secs Computing kpt #: 73 total cpu time spent up to now is 399.3 secs Computing kpt #: 74 total cpu time spent up to now is 405.3 secs Computing kpt #: 75 total cpu time spent up to now is 411.2 secs Computing kpt #: 76 total cpu time spent up to now is 417.6 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.6 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.9 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.0 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.1 secs Computing kpt #: 81 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 453.3 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.9 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 468.4 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.8 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.5 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.1 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.5 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.0 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.1 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.3 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.4 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 542.0 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.1 secs Computing kpt #: 95 total cpu time spent up to now is 556.0 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.1 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 570.2 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.4 secs Computing kpt #: 99 total cpu time spent up to now is 584.3 secs Computing kpt #: 100 total cpu time spent up to now is 590.5 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 598.0 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.3 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.5 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 634.1 secs Computing kpt #: 107 total cpu time spent up to now is 640.1 secs Computing kpt #: 108 total cpu time spent up to now is 645.4 secs Computing kpt #: 109 total cpu time spent up to now is 650.2 secs Computing kpt #: 110 total cpu time spent up to now is 654.8 secs Computing kpt #: 111 total cpu time spent up to now is 659.4 secs Computing kpt #: 112 total cpu time spent up to now is 664.0 secs Computing kpt #: 113 total cpu time spent up to now is 668.6 secs Computing kpt #: 114 total cpu time spent up to now is 672.9 secs Computing kpt #: 115 total cpu time spent up to now is 677.0 secs Computing kpt #: 116 total cpu time spent up to now is 681.1 secs Computing kpt #: 117 total cpu time spent up to now is 685.2 secs Computing kpt #: 118 total cpu time spent up to now is 689.8 secs Computing kpt #: 119 total cpu time spent up to now is 694.0 secs Computing kpt #: 120 total cpu time spent up to now is 698.6 secs Computing kpt #: 121 total cpu time spent up to now is 703.1 secs Computing kpt #: 122 total cpu time spent up to now is 708.3 secs Computing kpt #: 123 total cpu time spent up to now is 713.5 secs Computing kpt #: 124 total cpu time spent up to now is 718.8 secs Computing kpt #: 125 total cpu time spent up to now is 724.2 secs Computing kpt #: 126 total cpu time spent up to now is 729.8 secs Computing kpt #: 127 total cpu time spent up to now is 735.5 secs Computing kpt #: 128 total cpu time spent up to now is 741.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 748.7 secs Computing kpt #: 130 total cpu time spent up to now is 754.5 secs Computing kpt #: 131 total cpu time spent up to now is 760.1 secs Computing kpt #: 132 total cpu time spent up to now is 765.8 secs Computing kpt #: 133 total cpu time spent up to now is 771.4 secs Computing kpt #: 134 total cpu time spent up to now is 777.1 secs Computing kpt #: 135 total cpu time spent up to now is 783.4 secs Computing kpt #: 136 total cpu time spent up to now is 789.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 797.2 secs Computing kpt #: 138 total cpu time spent up to now is 803.5 secs Computing kpt #: 139 total cpu time spent up to now is 809.6 secs Computing kpt #: 140 total cpu time spent up to now is 816.9 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 824.4 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 831.7 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 839.3 secs Computing kpt #: 144 total cpu time spent up to now is 845.7 secs Computing kpt #: 145 total cpu time spent up to now is 851.6 secs Computing kpt #: 146 total cpu time spent up to now is 857.5 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 864.6 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.7 secs Computing kpt #: 149 total cpu time spent up to now is 877.9 secs Computing kpt #: 150 total cpu time spent up to now is 883.8 secs Computing kpt #: 151 total cpu time spent up to now is 889.9 secs Computing kpt #: 152 total cpu time spent up to now is 896.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 903.7 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 910.8 secs Computing kpt #: 155 total cpu time spent up to now is 914.9 secs Computing kpt #: 156 total cpu time spent up to now is 919.3 secs Computing kpt #: 157 total cpu time spent up to now is 923.7 secs Computing kpt #: 158 total cpu time spent up to now is 928.1 secs Computing kpt #: 159 total cpu time spent up to now is 932.5 secs Computing kpt #: 160 total cpu time spent up to now is 936.9 secs Computing kpt #: 161 total cpu time spent up to now is 941.4 secs Computing kpt #: 162 total cpu time spent up to now is 945.9 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 952.9 secs Computing kpt #: 164 total cpu time spent up to now is 959.5 secs Computing kpt #: 165 total cpu time spent up to now is 964.7 secs Computing kpt #: 166 total cpu time spent up to now is 970.0 secs Computing kpt #: 167 total cpu time spent up to now is 976.0 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 983.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.1 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 997.0 secs Computing kpt #: 171 total cpu time spent up to now is 1001.6 secs Computing kpt #: 172 total cpu time spent up to now is 1006.2 secs Computing kpt #: 173 total cpu time spent up to now is 1010.8 secs Computing kpt #: 174 total cpu time spent up to now is 1015.6 secs Computing kpt #: 175 total cpu time spent up to now is 1021.0 secs Computing kpt #: 176 total cpu time spent up to now is 1026.4 secs Computing kpt #: 177 total cpu time spent up to now is 1031.7 secs Computing kpt #: 178 total cpu time spent up to now is 1038.5 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1045.4 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1052.4 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1059.3 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1066.3 secs Computing kpt #: 183 total cpu time spent up to now is 1071.3 secs Computing kpt #: 184 total cpu time spent up to now is 1076.8 secs Computing kpt #: 185 total cpu time spent up to now is 1081.9 secs Computing kpt #: 186 total cpu time spent up to now is 1086.9 secs Computing kpt #: 187 total cpu time spent up to now is 1091.2 secs Computing kpt #: 188 total cpu time spent up to now is 1095.5 secs Computing kpt #: 189 total cpu time spent up to now is 1099.8 secs Computing kpt #: 190 total cpu time spent up to now is 1105.0 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1111.8 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1118.6 secs Computing kpt #: 193 total cpu time spent up to now is 1123.7 secs Computing kpt #: 194 total cpu time spent up to now is 1127.9 secs Computing kpt #: 195 total cpu time spent up to now is 1132.1 secs Computing kpt #: 196 total cpu time spent up to now is 1136.1 secs Computing kpt #: 197 total cpu time spent up to now is 1140.4 secs Computing kpt #: 198 total cpu time spent up to now is 1144.1 secs Computing kpt #: 199 total cpu time spent up to now is 1148.0 secs Computing kpt #: 200 total cpu time spent up to now is 1151.7 secs Computing kpt #: 201 total cpu time spent up to now is 1155.5 secs Computing kpt #: 202 total cpu time spent up to now is 1159.3 secs Computing kpt #: 203 total cpu time spent up to now is 1163.2 secs Computing kpt #: 204 total cpu time spent up to now is 1167.3 secs Computing kpt #: 205 total cpu time spent up to now is 1171.7 secs Computing kpt #: 206 total cpu time spent up to now is 1176.5 secs Computing kpt #: 207 total cpu time spent up to now is 1182.6 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1189.8 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1196.8 secs Computing kpt #: 210 total cpu time spent up to now is 1203.9 secs ethr = 1.28E-08, avg # of iterations = 80.3 total cpu time spent up to now is 1203.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14881 PWs) bands (ev): -1.6961 -1.6961 -0.3579 -0.3579 -0.3575 -0.3575 0.2879 0.2879 0.2977 0.2977 0.6209 0.6209 0.6721 0.6721 2.9706 2.9706 4.4999 4.4999 4.9611 4.9611 5.0875 5.0875 5.1958 5.1958 5.7068 5.7068 5.8890 5.8890 5.9203 5.9203 6.0492 6.0492 6.0661 6.0661 6.0971 6.0971 6.2269 6.2269 6.5111 6.5111 6.6554 6.6554 6.7955 6.7955 7.1283 7.1283 7.1888 7.1888 8.0180 8.0180 8.0952 8.0952 8.1050 8.1050 8.3568 8.3568 8.6424 8.6424 8.6579 8.6579 8.7498 8.7498 8.7571 8.7571 8.7768 8.7768 8.7938 8.7938 9.0241 9.0241 9.0725 9.0725 9.1285 9.1285 9.7735 9.7735 10.7196 10.7196 10.7865 10.7865 11.0366 11.0366 11.2706 11.2706 11.3800 11.3800 11.3977 11.3977 11.4538 11.4538 11.6415 11.6415 11.6532 11.6532 k = 0.0227 0.0131-0.0000 ( 14883 PWs) bands (ev): -1.6948 -1.6948 -0.3593 -0.3593 -0.3583 -0.3583 0.2855 0.2855 0.2964 0.2964 0.6210 0.6210 0.6759 0.6759 2.9706 2.9706 4.5005 4.5005 4.9613 4.9613 5.0889 5.0889 5.1970 5.1970 5.7069 5.7069 5.8886 5.8886 5.9191 5.9191 6.0111 6.0111 6.0662 6.0662 6.1267 6.1267 6.2432 6.2432 6.5009 6.5009 6.6595 6.6595 6.7974 6.7974 7.1296 7.1296 7.1899 7.1899 8.0215 8.0215 8.0911 8.0911 8.1033 8.1033 8.3578 8.3578 8.6410 8.6410 8.6561 8.6561 8.7367 8.7367 8.7407 8.7407 8.7913 8.7913 8.8031 8.8031 9.0245 9.0245 9.0723 9.0723 9.1282 9.1282 9.7789 9.7789 10.7178 10.7178 10.7847 10.7847 11.0342 11.0342 11.2695 11.2695 11.3586 11.3586 11.4113 11.4113 11.4613 11.4613 11.6379 11.6379 11.6500 11.6500 k = 0.0455 0.0262-0.0000 ( 14877 PWs) bands (ev): -1.6906 -1.6906 -0.3640 -0.3640 -0.3603 -0.3603 0.2745 0.2745 0.2967 0.2967 0.6214 0.6214 0.6867 0.6867 2.9704 2.9704 4.5021 4.5021 4.9619 4.9619 5.0932 5.0932 5.2005 5.2005 5.7066 5.7066 5.8833 5.8833 5.9156 5.9156 5.9645 5.9645 6.0661 6.0661 6.1546 6.1546 6.2909 6.2909 6.4736 6.4736 6.6689 6.6689 6.8027 6.8027 7.1333 7.1333 7.1935 7.1935 8.0320 8.0320 8.0790 8.0790 8.0982 8.0982 8.3608 8.3608 8.6368 8.6368 8.6510 8.6510 8.7077 8.7077 8.7180 8.7180 8.8102 8.8102 8.8195 8.8195 9.0244 9.0244 9.0729 9.0729 9.1275 9.1275 9.7949 9.7949 10.7127 10.7127 10.7792 10.7792 11.0274 11.0274 11.2654 11.2654 11.3307 11.3307 11.4118 11.4118 11.4878 11.4878 11.6264 11.6264 11.6414 11.6414 k = 0.0682 0.0394-0.0000 ( 14861 PWs) bands (ev): -1.6837 -1.6837 -0.3719 -0.3719 -0.3635 -0.3635 0.2556 0.2556 0.2997 0.2997 0.6220 0.6220 0.7031 0.7031 2.9703 2.9703 4.5048 4.5048 4.9630 4.9630 5.1001 5.1001 5.2063 5.2063 5.7028 5.7028 5.8612 5.8612 5.9097 5.9097 5.9436 5.9436 6.0664 6.0664 6.1732 6.1732 6.3574 6.3574 6.4352 6.4352 6.6796 6.6796 6.8102 6.8102 7.1392 7.1392 7.1998 7.1998 8.0473 8.0473 8.0606 8.0606 8.0896 8.0896 8.3660 8.3660 8.6297 8.6297 8.6422 8.6422 8.6733 8.6733 8.6929 8.6929 8.8270 8.8270 8.8361 8.8361 9.0214 9.0214 9.0765 9.0765 9.1264 9.1264 9.8206 9.8206 10.7040 10.7040 10.7702 10.7702 11.0170 11.0170 11.2552 11.2552 11.3060 11.3060 11.3986 11.3986 11.5254 11.5254 11.6060 11.6060 11.6292 11.6292 k = 0.0909 0.0525-0.0000 ( 14869 PWs) bands (ev): -1.6741 -1.6741 -0.3831 -0.3831 -0.3679 -0.3679 0.2316 0.2316 0.3042 0.3042 0.6229 0.6229 0.7233 0.7233 2.9700 2.9700 4.5086 4.5086 4.9646 4.9646 5.1090 5.1090 5.2143 5.2143 5.6902 5.6902 5.8311 5.8311 5.9023 5.9023 5.9471 5.9471 6.0675 6.0675 6.1901 6.1901 6.3882 6.3882 6.4328 6.4328 6.6895 6.6895 6.8184 6.8184 7.1468 7.1468 7.2092 7.2092 8.0288 8.0288 8.0744 8.0744 8.0780 8.0780 8.3734 8.3734 8.6193 8.6193 8.6269 8.6269 8.6390 8.6390 8.6661 8.6661 8.8410 8.8410 8.8524 8.8524 9.0138 9.0138 9.0845 9.0845 9.1251 9.1251 9.8547 9.8547 10.6919 10.6919 10.7576 10.7576 11.0044 11.0044 11.2339 11.2339 11.2884 11.2884 11.3782 11.3782 11.5647 11.5647 11.5789 11.5789 11.6143 11.6143 k = 0.1136 0.0656-0.0000 ( 14885 PWs) bands (ev): -1.6618 -1.6618 -0.3978 -0.3978 -0.3732 -0.3732 0.2045 0.2045 0.3099 0.3099 0.6241 0.6241 0.7457 0.7457 2.9697 2.9697 4.5136 4.5136 4.9667 4.9667 5.1188 5.1188 5.2246 5.2246 5.6655 5.6655 5.8106 5.8106 5.8945 5.8945 5.9607 5.9607 6.0704 6.0704 6.2082 6.2082 6.3382 6.3382 6.5091 6.5091 6.6982 6.6982 6.8262 6.8262 7.1554 7.1554 7.2223 7.2223 7.9933 7.9933 8.0627 8.0627 8.1040 8.1040 8.3830 8.3830 8.5893 8.5893 8.6077 8.6077 8.6196 8.6196 8.6382 8.6382 8.8529 8.8529 8.8679 8.8679 9.0024 9.0024 9.0957 9.0957 9.1242 9.1242 9.8958 9.8958 10.6763 10.6763 10.7411 10.7411 10.9909 10.9909 11.2026 11.2026 11.2734 11.2734 11.3555 11.3555 11.5411 11.5411 11.5933 11.5933 11.6102 11.6102 k = 0.1364 0.0787-0.0000 ( 14889 PWs) bands (ev): -1.6468 -1.6468 -0.4162 -0.4162 -0.3793 -0.3793 0.1760 0.1760 0.3165 0.3165 0.6256 0.6256 0.7692 0.7692 2.9693 2.9693 4.5197 4.5197 4.9692 4.9692 5.1277 5.1277 5.2373 5.2373 5.6340 5.6340 5.7983 5.7983 5.8887 5.8887 5.9793 5.9793 6.0753 6.0753 6.2258 6.2258 6.2873 6.2873 6.5860 6.5860 6.7059 6.7059 6.8333 6.8333 7.1646 7.1646 7.2394 7.2394 7.9507 7.9507 8.0445 8.0445 8.1388 8.1388 8.3945 8.3945 8.5463 8.5463 8.5913 8.5913 8.6016 8.6016 8.6109 8.6109 8.8632 8.8632 8.8823 8.8823 8.9887 8.9887 9.1058 9.1058 9.1267 9.1267 9.9423 9.9423 10.6572 10.6572 10.7206 10.7206 10.9777 10.9777 11.1656 11.1656 11.2509 11.2509 11.3383 11.3383 11.4997 11.4997 11.5755 11.5755 11.6428 11.6428 k = 0.1591 0.0919-0.0000 ( 14887 PWs) bands (ev): -1.6291 -1.6291 -0.4383 -0.4383 -0.3861 -0.3861 0.1473 0.1473 0.3238 0.3238 0.6274 0.6274 0.7929 0.7929 2.9689 2.9689 4.5270 4.5270 4.9719 4.9719 5.1334 5.1334 5.2533 5.2533 5.6046 5.6046 5.7858 5.7858 5.8872 5.8872 6.0013 6.0013 6.0824 6.0824 6.2157 6.2157 6.2652 6.2652 6.6604 6.6604 6.7133 6.7133 6.8401 6.8401 7.1742 7.1742 7.2607 7.2607 7.9019 7.9019 8.0235 8.0235 8.1781 8.1781 8.4072 8.4072 8.5014 8.5014 8.5696 8.5696 8.5784 8.5784 8.5897 8.5897 8.8724 8.8724 8.8953 8.8953 8.9743 8.9743 9.1088 9.1088 9.1375 9.1375 9.9926 9.9926 10.6338 10.6338 10.6970 10.6970 10.9654 10.9654 11.1259 11.1259 11.2156 11.2156 11.3318 11.3318 11.4534 11.4534 11.5550 11.5550 11.6679 11.6679 k = 0.1818 0.1050-0.0000 ( 14901 PWs) bands (ev): -1.6088 -1.6088 -0.4642 -0.4642 -0.3934 -0.3934 0.1194 0.1194 0.3314 0.3314 0.6296 0.6296 0.8163 0.8163 2.9685 2.9685 4.5358 4.5358 4.9746 4.9746 5.1335 5.1335 5.2731 5.2731 5.5831 5.5831 5.7688 5.7688 5.8903 5.8903 6.0256 6.0256 6.0884 6.0884 6.1694 6.1694 6.2845 6.2845 6.7118 6.7118 6.7378 6.7378 6.8490 6.8490 7.1842 7.1842 7.2860 7.2860 7.8477 7.8477 7.9999 7.9999 8.2209 8.2209 8.4199 8.4199 8.4559 8.4559 8.5404 8.5404 8.5559 8.5559 8.5724 8.5724 8.8808 8.8808 8.9066 8.9066 8.9603 8.9603 9.1069 9.1069 9.1536 9.1536 10.0453 10.0453 10.6046 10.6046 10.6723 10.6723 10.9537 10.9537 11.0851 11.0851 11.1714 11.1714 11.3343 11.3343 11.4033 11.4033 11.5343 11.5343 11.6823 11.6823 k = 0.2045 0.1181-0.0000 ( 14891 PWs) bands (ev): -1.5860 -1.5860 -0.4940 -0.4940 -0.4010 -0.4010 0.0929 0.0929 0.3392 0.3392 0.6321 0.6321 0.8388 0.8388 2.9680 2.9680 4.5461 4.5461 4.9764 4.9764 5.1268 5.1268 5.2972 5.2972 5.5723 5.5723 5.7471 5.7471 5.8956 5.8956 6.0513 6.0513 6.0747 6.0747 6.1435 6.1435 6.3089 6.3089 6.7191 6.7191 6.7917 6.7917 6.8686 6.8686 7.1947 7.1947 7.3150 7.3150 7.7889 7.7889 7.9742 7.9742 8.2658 8.2658 8.4104 8.4104 8.4300 8.4300 8.5087 8.5087 8.5335 8.5335 8.5579 8.5579 8.8880 8.8880 8.9158 8.9158 8.9486 8.9486 9.1032 9.1032 9.1712 9.1712 10.0986 10.0986 10.5684 10.5684 10.6484 10.6484 10.9417 10.9417 11.0451 11.0451 11.1235 11.1235 11.3427 11.3427 11.3507 11.3507 11.5142 11.5142 11.6865 11.6865 k = 0.2273 0.1312-0.0000 ( 14889 PWs) bands (ev): -1.5606 -1.5606 -0.5275 -0.5275 -0.4087 -0.4087 0.0683 0.0683 0.3470 0.3470 0.6349 0.6349 0.8601 0.8601 2.9675 2.9675 4.5581 4.5581 4.9760 4.9760 5.1152 5.1152 5.3249 5.3249 5.5725 5.5725 5.7221 5.7221 5.8990 5.8990 6.0297 6.0297 6.0804 6.0804 6.1537 6.1537 6.3334 6.3334 6.7227 6.7227 6.8201 6.8201 6.9132 6.9132 7.2056 7.2056 7.3473 7.3473 7.7265 7.7265 7.9468 7.9468 8.3106 8.3106 8.3659 8.3659 8.4325 8.4325 8.4781 8.4781 8.5112 8.5112 8.5497 8.5497 8.8935 8.8935 8.9211 8.9211 8.9421 8.9421 9.0983 9.0983 9.1888 9.1888 10.1506 10.1506 10.5261 10.5261 10.6265 10.6265 10.9280 10.9280 11.0074 11.0074 11.0759 11.0759 11.2952 11.2952 11.3571 11.3571 11.4958 11.4958 11.6827 11.6827 k = 0.2500 0.1443-0.0000 ( 14896 PWs) bands (ev): -1.5328 -1.5328 -0.5646 -0.5646 -0.4163 -0.4163 0.0460 0.0460 0.3546 0.3546 0.6380 0.6380 0.8801 0.8801 2.9670 2.9670 4.5718 4.5718 4.9716 4.9716 5.1024 5.1024 5.3553 5.3553 5.5816 5.5816 5.6956 5.6956 5.8933 5.8933 5.9869 5.9869 6.1097 6.1097 6.1765 6.1765 6.3564 6.3564 6.7257 6.7257 6.8312 6.8312 6.9720 6.9720 7.2172 7.2172 7.3825 7.3825 7.6614 7.6614 7.9181 7.9181 8.3222 8.3222 8.3482 8.3482 8.4242 8.4242 8.4540 8.4540 8.4900 8.4900 8.5520 8.5520 8.8952 8.8952 8.9222 8.9222 8.9435 8.9435 9.0924 9.0924 9.2061 9.2061 10.1984 10.1984 10.4809 10.4809 10.6061 10.6061 10.9108 10.9108 10.9729 10.9729 11.0322 11.0322 11.2392 11.2392 11.3755 11.3755 11.4798 11.4798 11.6739 11.6739 k = 0.2727 0.1575-0.0000 ( 14898 PWs) bands (ev): -1.5026 -1.5026 -0.6048 -0.6048 -0.4238 -0.4238 0.0260 0.0260 0.3617 0.3617 0.6413 0.6413 0.8985 0.8985 2.9664 2.9664 4.5874 4.5874 4.9609 4.9609 5.0931 5.0931 5.3868 5.3868 5.5956 5.5956 5.6702 5.6702 5.8674 5.8674 5.9634 5.9634 6.1402 6.1402 6.2038 6.2038 6.3774 6.3774 6.7288 6.7288 6.8374 6.8374 7.0312 7.0312 7.2292 7.2292 7.4203 7.4203 7.5947 7.5947 7.8887 7.8887 8.2808 8.2808 8.3546 8.3546 8.4092 8.4092 8.4549 8.4549 8.4713 8.4713 8.5645 8.5645 8.8922 8.8922 8.9245 8.9245 8.9485 8.9485 9.0853 9.0853 9.2227 9.2227 10.2360 10.2360 10.4393 10.4393 10.5870 10.5870 10.8893 10.8893 10.9410 10.9410 10.9960 10.9960 11.1831 11.1831 11.3979 11.3979 11.4673 11.4673 11.6624 11.6624 k = 0.2955 0.1706-0.0000 ( 14908 PWs) bands (ev): -1.4701 -1.4701 -0.6478 -0.6478 -0.4310 -0.4310 0.0085 0.0085 0.3684 0.3684 0.6448 0.6448 0.9153 0.9153 2.9659 2.9659 4.6048 4.6048 4.9436 4.9436 5.0898 5.0898 5.4177 5.4177 5.6042 5.6042 5.6541 5.6541 5.8264 5.8264 5.9579 5.9579 6.1707 6.1707 6.2331 6.2331 6.3969 6.3969 6.7322 6.7322 6.8420 6.8420 7.0868 7.0868 7.2417 7.2417 7.4595 7.4595 7.5284 7.5284 7.8589 7.8589 8.2414 8.2414 8.3283 8.3283 8.3850 8.3850 8.4519 8.4519 8.4925 8.4925 8.5835 8.5835 8.8866 8.8866 8.9293 8.9293 8.9539 8.9539 9.0765 9.0765 9.2383 9.2383 10.2504 10.2504 10.4149 10.4149 10.5690 10.5690 10.8640 10.8640 10.9106 10.9106 10.9692 10.9692 11.1278 11.1278 11.4232 11.4232 11.4596 11.4596 11.6500 11.6500 k = 0.3182 0.1837-0.0000 ( 14916 PWs) bands (ev): -1.4353 -1.4353 -0.6931 -0.6931 -0.4377 -0.4377 -0.0068 -0.0068 0.3744 0.3744 0.6485 0.6485 0.9305 0.9305 2.9654 2.9654 4.6238 4.6238 4.9216 4.9216 5.0922 5.0922 5.4453 5.4453 5.5923 5.5923 5.6586 5.6586 5.7873 5.7873 5.9587 5.9587 6.1987 6.1987 6.2628 6.2628 6.4170 6.4170 6.7360 6.7360 6.8458 6.8458 7.1366 7.1366 7.2544 7.2544 7.4580 7.4580 7.5058 7.5058 7.8292 7.8292 8.2047 8.2047 8.2916 8.2916 8.3570 8.3570 8.4374 8.4374 8.5370 8.5370 8.6062 8.6062 8.8808 8.8808 8.9349 8.9349 8.9588 8.9588 9.0659 9.0659 9.2528 9.2528 10.2306 10.2306 10.4198 10.4198 10.5522 10.5522 10.8360 10.8360 10.8840 10.8840 10.9494 10.9494 11.0743 11.0743 11.4443 11.4443 11.4636 11.4636 11.6375 11.6375 k = 0.3409 0.1968-0.0000 ( 14906 PWs) bands (ev): -1.3984 -1.3984 -0.7402 -0.7402 -0.4439 -0.4439 -0.0199 -0.0199 0.3798 0.3798 0.6520 0.6520 0.9439 0.9439 2.9650 2.9650 4.6441 4.6441 4.8978 4.8978 5.0987 5.0987 5.4650 5.4650 5.5712 5.5712 5.6644 5.6644 5.7662 5.7662 5.9612 5.9612 6.2203 6.2203 6.2927 6.2927 6.4405 6.4405 6.7396 6.7396 6.8488 6.8488 7.1773 7.1773 7.2666 7.2666 7.3989 7.3989 7.5473 7.5473 7.8000 7.8000 8.1710 8.1710 8.2511 8.2511 8.3283 8.3283 8.4259 8.4259 8.5821 8.5821 8.6311 8.6311 8.8755 8.8755 8.9405 8.9405 8.9631 8.9631 9.0530 9.0530 9.2662 9.2662 10.1893 10.1893 10.4410 10.4410 10.5376 10.5376 10.8069 10.8069 10.8635 10.8635 10.9333 10.9333 11.0237 11.0237 11.4496 11.4496 11.4904 11.4904 11.6255 11.6255 k = 0.3636 0.2099-0.0000 ( 14914 PWs) bands (ev): -1.3595 -1.3595 -0.7888 -0.7888 -0.4495 -0.4495 -0.0310 -0.0310 0.3844 0.3844 0.6555 0.6555 0.9555 0.9555 2.9645 2.9645 4.6652 4.6652 4.8745 4.8745 5.1075 5.1075 5.4705 5.4705 5.5513 5.5513 5.6588 5.6588 5.7724 5.7724 5.9640 5.9640 6.2323 6.2323 6.3234 6.3234 6.4694 6.4694 6.7432 6.7432 6.8505 6.8505 7.1999 7.1999 7.2767 7.2767 7.3548 7.3548 7.5906 7.5906 7.7718 7.7718 8.1407 8.1407 8.2087 8.2087 8.3008 8.3008 8.4176 8.4176 8.6249 8.6249 8.6574 8.6574 8.8710 8.8710 8.9458 8.9458 8.9669 8.9669 9.0378 9.0378 9.2783 9.2783 10.1423 10.1423 10.4618 10.4618 10.5280 10.5280 10.7790 10.7790 10.8490 10.8490 10.9189 10.9189 10.9769 10.9769 11.4547 11.4547 11.5234 11.5234 11.6145 11.6145 k = 0.3864 0.2231-0.0000 ( 14908 PWs) bands (ev): -1.3188 -1.3188 -0.8383 -0.8383 -0.4543 -0.4543 -0.0401 -0.0401 0.3883 0.3883 0.6587 0.6587 0.9653 0.9653 2.9642 2.9642 4.6865 4.6865 4.8530 4.8530 5.1175 5.1175 5.4600 5.4600 5.5315 5.5315 5.6565 5.6565 5.7943 5.7943 5.9668 5.9668 6.2348 6.2348 6.3536 6.3536 6.5034 6.5034 6.7473 6.7473 6.8504 6.8504 7.1852 7.1852 7.2859 7.2859 7.3454 7.3454 7.6322 7.6322 7.7468 7.7468 8.1140 8.1140 8.1651 8.1651 8.2758 8.2758 8.4125 8.4125 8.6638 8.6638 8.6845 8.6845 8.8672 8.8672 8.9505 8.9505 8.9700 8.9700 9.0202 9.0202 9.2890 9.2890 10.0966 10.0966 10.4708 10.4708 10.5293 10.5293 10.7540 10.7540 10.8397 10.8397 10.9052 10.9052 10.9353 10.9353 11.4626 11.4626 11.5577 11.5577 11.6049 11.6049 k = 0.4091 0.2362-0.0000 ( 14912 PWs) bands (ev): -1.2763 -1.2763 -0.8883 -0.8883 -0.4583 -0.4583 -0.0474 -0.0474 0.3915 0.3915 0.6615 0.6615 0.9734 0.9734 2.9639 2.9639 4.7069 4.7069 4.8345 4.8345 5.1278 5.1278 5.4402 5.4402 5.5093 5.5093 5.6645 5.6645 5.8197 5.8197 5.9693 5.9693 6.2307 6.2307 6.3811 6.3811 6.5407 6.5407 6.7528 6.7528 6.8487 6.8487 7.1393 7.1393 7.2971 7.2971 7.3623 7.3623 7.6630 7.6630 7.7336 7.7336 8.0915 8.0915 8.1210 8.1210 8.2542 8.2542 8.4101 8.4101 8.6975 8.6975 8.7119 8.7119 8.8642 8.8642 8.9542 8.9542 8.9725 8.9725 9.0009 9.0009 9.2982 9.2982 10.0559 10.0559 10.4672 10.4672 10.5409 10.5409 10.7329 10.7329 10.8347 10.8347 10.8896 10.8896 10.9023 10.9023 11.4727 11.4727 11.5891 11.5891 11.5993 11.5993 k = 0.4318 0.2493-0.0000 ( 14928 PWs) bands (ev): -1.2322 -1.2322 -0.9385 -0.9385 -0.4615 -0.4615 -0.0530 -0.0530 0.3940 0.3940 0.6638 0.6638 0.9796 0.9796 2.9636 2.9636 4.7252 4.7252 4.8195 4.8195 5.1372 5.1372 5.4187 5.4187 5.4878 5.4878 5.6774 5.6774 5.8435 5.8435 5.9717 5.9717 6.2235 6.2235 6.4035 6.4035 6.5783 6.5783 6.7594 6.7594 6.8473 6.8473 7.0847 7.0847 7.3070 7.3070 7.3865 7.3865 7.6633 7.6633 7.7520 7.7520 8.0733 8.0733 8.0774 8.0774 8.2370 8.2370 8.4095 8.4095 8.7250 8.7250 8.7386 8.7386 8.8618 8.8618 8.9562 8.9562 8.9730 8.9730 8.9828 8.9828 9.3058 9.3058 10.0223 10.0223 10.4595 10.4595 10.5540 10.5540 10.7161 10.7161 10.8333 10.8333 10.8661 10.8661 10.8849 10.8849 11.4835 11.4835 11.5885 11.5885 11.6259 11.6259 k = 0.4545 0.2624-0.0000 ( 14922 PWs) bands (ev): -1.1871 -1.1871 -0.9881 -0.9881 -0.4638 -0.4638 -0.0569 -0.0569 0.3957 0.3957 0.6655 0.6655 0.9841 0.9841 2.9634 2.9634 4.7399 4.7399 4.8086 4.8086 5.1448 5.1448 5.4002 5.4002 5.4704 5.4704 5.6898 5.6898 5.8625 5.8625 5.9737 5.9737 6.2159 6.2159 6.4192 6.4192 6.6130 6.6130 6.7638 6.7638 6.8513 6.8513 7.0317 7.0317 7.3144 7.3144 7.4094 7.4094 7.6473 7.6473 7.7874 7.7874 8.0362 8.0362 8.0601 8.0601 8.2244 8.2244 8.4099 8.4099 8.7453 8.7453 8.7629 8.7629 8.8601 8.8601 8.9509 8.9509 8.9662 8.9662 8.9784 8.9784 9.3114 9.3114 9.9973 9.9973 10.4523 10.4523 10.5646 10.5646 10.7040 10.7040 10.8340 10.8340 10.8459 10.8459 10.8737 10.8737 11.4931 11.4931 11.5838 11.5838 11.6550 11.6550 k = 0.4773 0.2756-0.0000 ( 14916 PWs) bands (ev): -1.1418 -1.1418 -1.0361 -1.0361 -0.4652 -0.4652 -0.0592 -0.0592 0.3967 0.3967 0.6666 0.6666 0.9868 0.9868 2.9633 2.9633 4.7495 4.7495 4.8019 4.8019 5.1497 5.1497 5.3878 5.3878 5.4592 5.4592 5.6983 5.6983 5.8747 5.8747 5.9751 5.9751 6.2104 6.2104 6.4283 6.4283 6.6396 6.6396 6.7623 6.7623 6.8646 6.8646 6.9871 6.9871 7.3190 7.3190 7.4262 7.4262 7.6329 7.6329 7.8197 7.8197 8.0025 8.0025 8.0520 8.0520 8.2168 8.2168 8.4105 8.4105 8.7578 8.7578 8.7814 8.7814 8.8591 8.8591 8.9378 8.9378 8.9649 8.9649 8.9790 8.9790 9.3149 9.3149 9.9819 9.9819 10.4475 10.4475 10.5711 10.5711 10.6966 10.6966 10.8301 10.8301 10.8396 10.8396 10.8653 10.8653 11.4997 11.4997 11.5808 11.5808 11.6782 11.6782 k = 0.5000 0.2887-0.0000 ( 14934 PWs) bands (ev): -1.1098 -1.1098 -1.0690 -1.0690 -0.4657 -0.4657 -0.0600 -0.0600 0.3971 0.3971 0.6669 0.6669 0.9876 0.9876 2.9633 2.9633 4.7528 4.7528 4.7997 4.7997 5.1514 5.1514 5.3835 5.3835 5.4553 5.4553 5.7013 5.7013 5.8789 5.8789 5.9756 5.9756 6.2083 6.2083 6.4312 6.4312 6.6502 6.6502 6.7598 6.7598 6.8750 6.8750 6.9664 6.9664 7.3205 7.3205 7.4325 7.4325 7.6273 7.6273 7.8340 7.8340 7.9879 7.9879 8.0493 8.0493 8.2142 8.2142 8.4108 8.4108 8.7620 8.7620 8.7887 8.7887 8.8587 8.8587 8.9317 8.9317 8.9650 8.9650 8.9793 8.9793 9.3161 9.3161 9.9767 9.9767 10.4458 10.4458 10.5734 10.5734 10.6941 10.6941 10.8263 10.8263 10.8408 10.8408 10.8617 10.8617 11.5021 11.5021 11.5798 11.5798 11.6884 11.6887 k = 0.5000 0.2887-0.0000 ( 14934 PWs) bands (ev): -1.1098 -1.1098 -1.0690 -1.0690 -0.4657 -0.4657 -0.0600 -0.0600 0.3971 0.3971 0.6669 0.6669 0.9876 0.9876 2.9633 2.9633 4.7528 4.7528 4.7997 4.7997 5.1514 5.1514 5.3835 5.3835 5.4553 5.4553 5.7013 5.7013 5.8789 5.8789 5.9756 5.9756 6.2083 6.2083 6.4312 6.4312 6.6502 6.6502 6.7598 6.7598 6.8750 6.8750 6.9664 6.9664 7.3205 7.3205 7.4325 7.4325 7.6273 7.6273 7.8340 7.8340 7.9879 7.9879 8.0493 8.0493 8.2142 8.2142 8.4108 8.4108 8.7620 8.7620 8.7887 8.7887 8.8587 8.8587 8.9317 8.9317 8.9650 8.9650 8.9793 8.9793 9.3161 9.3161 9.9767 9.9767 10.4458 10.4458 10.5734 10.5734 10.6941 10.6941 10.8263 10.8263 10.8408 10.8408 10.8617 10.8617 11.5021 11.5021 11.5798 11.5798 11.6884 11.6884 k = 0.4872 0.3109-0.0000 ( 14926 PWs) bands (ev): -1.1087 -1.1087 -1.0680 -1.0680 -0.4699 -0.4699 -0.0597 -0.0597 0.3991 0.3991 0.6663 0.6663 0.9878 0.9878 2.9633 2.9633 4.7518 4.7518 4.8030 4.8030 5.1522 5.1522 5.3793 5.3793 5.4541 5.4541 5.7010 5.7010 5.8743 5.8743 5.9735 5.9735 6.2190 6.2190 6.4351 6.4351 6.6457 6.6457 6.7623 6.7623 6.8774 6.8774 6.9657 6.9657 7.3216 7.3216 7.4295 7.4295 7.6295 7.6295 7.8284 7.8284 7.9891 7.9891 8.0552 8.0552 8.2111 8.2111 8.4040 8.4040 8.7618 8.7618 8.7888 8.7888 8.8581 8.8581 8.9214 8.9214 8.9353 8.9353 9.0234 9.0234 9.3220 9.3220 9.9802 9.9802 10.4434 10.4434 10.5548 10.5548 10.6845 10.6845 10.8391 10.8391 10.8487 10.8487 10.8651 10.8651 11.5023 11.5023 11.5715 11.5715 11.6921 11.6921 k = 0.4744 0.3331-0.0000 ( 14938 PWs) bands (ev): -1.1052 -1.1052 -1.0652 -1.0652 -0.4822 -0.4822 -0.0588 -0.0588 0.4051 0.4051 0.6644 0.6644 0.9885 0.9885 2.9632 2.9632 4.7502 4.7502 4.8116 4.8116 5.1546 5.1546 5.3670 5.3670 5.4503 5.4503 5.6999 5.6999 5.8614 5.8614 5.9694 5.9694 6.2476 6.2476 6.4465 6.4465 6.6336 6.6336 6.7682 6.7682 6.8845 6.8845 6.9637 6.9637 7.3250 7.3250 7.4207 7.4207 7.6358 7.6358 7.8133 7.8133 7.9927 7.9927 8.0713 8.0713 8.2019 8.2019 8.3846 8.3846 8.7613 8.7613 8.7887 8.7887 8.8566 8.8566 8.8736 8.8736 8.9439 8.9439 9.0749 9.0749 9.3393 9.3393 9.9906 9.9906 10.4354 10.4354 10.5113 10.5113 10.6574 10.6574 10.8502 10.8502 10.8662 10.8662 10.8962 10.8962 11.5032 11.5032 11.5449 11.5449 11.7028 11.7030 k = 0.4615 0.3553-0.0000 ( 14920 PWs) bands (ev): -1.0995 -1.0995 -1.0604 -1.0604 -0.5019 -0.5019 -0.0575 -0.0575 0.4147 0.4147 0.6613 0.6613 0.9894 0.9894 2.9632 2.9632 4.7498 4.7498 4.8234 4.8234 5.1583 5.1583 5.3478 5.3478 5.4435 5.4435 5.6974 5.6974 5.8440 5.8440 5.9666 5.9666 6.2878 6.2878 6.4641 6.4641 6.6172 6.6172 6.7757 6.7757 6.8959 6.8959 6.9604 6.9604 7.3304 7.3304 7.4067 7.4067 7.6459 7.6459 7.7918 7.7918 7.9986 7.9986 8.0941 8.0941 8.1871 8.1871 8.3546 8.3546 8.7604 8.7604 8.7856 8.7856 8.8265 8.8265 8.8579 8.8579 8.9564 8.9564 9.1277 9.1277 9.3668 9.3668 10.0075 10.0075 10.4153 10.4153 10.4647 10.4647 10.6166 10.6166 10.8638 10.8638 10.8726 10.8726 10.9536 10.9536 11.4976 11.4976 11.5049 11.5049 11.7091 11.7091 k = 0.4487 0.3775-0.0000 ( 14916 PWs) bands (ev): -1.0915 -1.0915 -1.0537 -1.0537 -0.5283 -0.5283 -0.0560 -0.0560 0.4272 0.4272 0.6570 0.6570 0.9907 0.9907 2.9631 2.9631 4.7521 4.7521 4.8365 4.8365 5.1632 5.1632 5.3230 5.3230 5.4340 5.4340 5.6928 5.6928 5.8268 5.8268 5.9659 5.9659 6.3342 6.3342 6.4860 6.4860 6.5996 6.5996 6.7835 6.7835 6.9107 6.9107 6.9554 6.9554 7.3374 7.3374 7.3886 7.3886 7.6595 7.6595 7.7669 7.7669 8.0069 8.0069 8.1202 8.1202 8.1677 8.1677 8.3169 8.3169 8.7589 8.7589 8.7639 8.7639 8.7980 8.7980 8.8609 8.8609 8.9704 8.9704 9.1819 9.1819 9.4031 9.4031 10.0303 10.0303 10.3685 10.3685 10.4377 10.4377 10.5656 10.5656 10.8729 10.8729 10.8858 10.8858 11.0167 11.0167 11.4332 11.4332 11.5068 11.5068 11.6931 11.6931 k = 0.4359 0.3997-0.0000 ( 14914 PWs) bands (ev): -1.0812 -1.0812 -1.0451 -1.0451 -0.5603 -0.5603 -0.0546 -0.0546 0.4421 0.4421 0.6515 0.6515 0.9923 0.9923 2.9630 2.9630 4.7578 4.7578 4.8498 4.8498 5.1686 5.1686 5.2941 5.2941 5.4219 5.4219 5.6853 5.6853 5.8138 5.8138 5.9670 5.9670 6.3825 6.3825 6.5087 6.5087 6.5848 6.5848 6.7918 6.7918 6.9279 6.9279 6.9488 6.9488 7.3428 7.3428 7.3704 7.3704 7.6755 7.6755 7.7409 7.7409 8.0173 8.0173 8.1343 8.1343 8.1576 8.1576 8.2743 8.2743 8.7193 8.7193 8.7580 8.7580 8.7898 8.7898 8.8679 8.8679 8.9840 8.9840 9.2375 9.2375 9.4467 9.4467 10.0575 10.0575 10.3072 10.3072 10.4222 10.4222 10.5070 10.5070 10.8747 10.8747 10.9078 10.9078 11.0815 11.0815 11.3578 11.3578 11.5099 11.5099 11.6734 11.6735 k = 0.4231 0.4219-0.0000 ( 14922 PWs) bands (ev): -1.0688 -1.0688 -1.0347 -1.0347 -0.5969 -0.5969 -0.0535 -0.0535 0.4586 0.4586 0.6449 0.6449 0.9941 0.9941 2.9629 2.9629 4.7674 4.7674 4.8622 4.8622 5.1733 5.1733 5.2633 5.2633 5.4081 5.4081 5.6756 5.6756 5.8062 5.8062 5.9694 5.9694 6.4286 6.4286 6.5256 6.5256 6.5807 6.5807 6.8013 6.8013 6.9388 6.9388 6.9478 6.9478 7.3302 7.3302 7.3693 7.3693 7.6878 7.6878 7.7208 7.7208 8.0297 8.0297 8.1099 8.1099 8.1812 8.1812 8.2309 8.2309 8.6716 8.6716 8.7566 8.7566 8.7839 8.7839 8.8783 8.8783 8.9958 8.9958 9.2947 9.2947 9.4962 9.4962 10.0859 10.0859 10.2449 10.2449 10.4090 10.4090 10.4429 10.4429 10.8744 10.8744 10.9327 10.9327 11.1456 11.1456 11.2778 11.2778 11.5143 11.5143 11.6516 11.6516 k = 0.4103 0.4441-0.0000 ( 14924 PWs) bands (ev): -1.0541 -1.0541 -1.0225 -1.0225 -0.6372 -0.6372 -0.0526 -0.0526 0.4759 0.4759 0.6372 0.6372 0.9959 0.9959 2.9627 2.9627 4.7810 4.7810 4.8731 4.8731 5.1727 5.1727 5.2361 5.2361 5.3930 5.3930 5.6654 5.6654 5.8031 5.8031 5.9725 5.9725 6.4636 6.4636 6.5359 6.5359 6.5943 6.5943 6.8129 6.8129 6.9282 6.9282 6.9661 6.9661 7.3042 7.3042 7.3821 7.3821 7.6740 7.6740 7.7297 7.7297 8.0435 8.0435 8.0792 8.0792 8.1738 8.1738 8.2216 8.2216 8.6236 8.6236 8.7553 8.7553 8.7781 8.7781 8.8912 8.8912 9.0049 9.0049 9.3535 9.3535 9.5504 9.5504 10.1023 10.1023 10.1964 10.1964 10.3748 10.3748 10.3970 10.3970 10.8727 10.8727 10.9587 10.9587 11.1914 11.1914 11.2132 11.2132 11.5212 11.5212 11.6290 11.6290 k = 0.3974 0.4663-0.0000 ( 14918 PWs) bands (ev): -1.0374 -1.0374 -1.0086 -1.0086 -0.6805 -0.6805 -0.0520 -0.0520 0.4937 0.4937 0.6285 0.6285 0.9978 0.9978 2.9626 2.9626 4.7989 4.7989 4.8819 4.8819 5.1560 5.1560 5.2238 5.2238 5.3773 5.3773 5.6569 5.6569 5.8027 5.8027 5.9759 5.9759 6.4742 6.4742 6.5597 6.5597 6.6164 6.6164 6.8276 6.8276 6.9144 6.9144 6.9836 6.9836 7.2759 7.2759 7.3989 7.3989 7.6477 7.6477 7.7539 7.7539 8.0445 8.0445 8.0608 8.0608 8.1300 8.1300 8.2491 8.2491 8.5758 8.5758 8.7541 8.7541 8.7728 8.7728 8.9056 8.9056 9.0107 9.0107 9.4140 9.4140 9.6084 9.6084 10.0712 10.0712 10.1963 10.1963 10.3044 10.3044 10.3863 10.3863 10.8702 10.8702 10.9836 10.9836 11.1189 11.1189 11.2654 11.2654 11.5322 11.5322 11.6076 11.6076 k = 0.3846 0.4885-0.0000 ( 14904 PWs) bands (ev): -1.0186 -1.0186 -0.9930 -0.9930 -0.7259 -0.7259 -0.0517 -0.0517 0.5112 0.5112 0.6189 0.6189 0.9996 0.9996 2.9625 2.9625 4.8207 4.8207 4.8885 4.8885 5.1237 5.1237 5.2270 5.2270 5.3610 5.3610 5.6516 5.6516 5.8031 5.8031 5.9793 5.9793 6.4692 6.4692 6.5940 6.5940 6.6395 6.6395 6.8461 6.8461 6.8978 6.8978 6.9973 6.9973 7.2489 7.2489 7.4184 7.4184 7.6200 7.6200 7.7826 7.7826 8.0126 8.0126 8.0744 8.0744 8.0870 8.0870 8.2782 8.2782 8.5290 8.5290 8.7533 8.7533 8.7682 8.7682 8.9209 8.9209 9.0130 9.0130 9.4760 9.4760 9.6692 9.6692 10.0104 10.0104 10.2241 10.2241 10.2333 10.2333 10.3778 10.3778 10.8675 10.8675 11.0007 11.0007 11.0542 11.0542 11.3132 11.3132 11.5500 11.5500 11.5899 11.5899 k = 0.3718 0.5107-0.0000 ( 14908 PWs) bands (ev): -0.9978 -0.9978 -0.9758 -0.9758 -0.7731 -0.7731 -0.0516 -0.0516 0.5281 0.5281 0.6084 0.6084 1.0011 1.0011 2.9624 2.9624 4.8454 4.8454 4.8941 4.8941 5.0853 5.0853 5.2365 5.2365 5.3444 5.3444 5.6500 5.6500 5.8030 5.8030 5.9822 5.9822 6.4617 6.4617 6.6251 6.6251 6.6628 6.6628 6.8661 6.8661 6.8810 6.8810 7.0039 7.0039 7.2265 7.2265 7.4399 7.4399 7.5925 7.5925 7.8143 7.8143 7.9816 7.9816 8.0416 8.0416 8.0932 8.0932 8.3064 8.3064 8.4841 8.4841 8.7528 8.7528 8.7646 8.7646 8.9363 8.9363 9.0118 9.0118 9.5394 9.5394 9.7318 9.7318 9.9438 9.9438 10.1614 10.1614 10.2545 10.2545 10.3728 10.3728 10.8648 10.8648 10.9718 10.9718 11.0411 11.0411 11.3486 11.3486 11.5677 11.5677 11.5875 11.5875 k = 0.3590 0.5329-0.0000 ( 14910 PWs) bands (ev): -0.9751 -0.9751 -0.9570 -0.9570 -0.8213 -0.8213 -0.0517 -0.0517 0.5442 0.5442 0.5972 0.5972 1.0024 1.0024 2.9623 2.9623 4.8683 4.8683 4.9035 4.9035 5.0451 5.0451 5.2487 5.2487 5.3279 5.3279 5.6516 5.6516 5.8020 5.8020 5.9845 5.9845 6.4558 6.4558 6.6460 6.6460 6.6881 6.6881 6.8546 6.8546 6.8974 6.8974 6.9998 6.9998 7.2118 7.2118 7.4630 7.4630 7.5656 7.5656 7.8485 7.8485 7.9542 7.9542 8.0022 8.0022 8.1079 8.1079 8.3329 8.3329 8.4425 8.4425 8.7526 8.7526 8.7619 8.7619 8.9513 8.9513 9.0073 9.0073 9.6039 9.6039 9.7946 9.7946 9.8762 9.8762 10.0920 10.0920 10.2769 10.2769 10.3728 10.3728 10.8626 10.8626 10.9255 10.9255 11.0533 11.0533 11.3703 11.3703 11.5652 11.5653 11.6087 11.6117 k = 0.3462 0.5551-0.0000 ( 14918 PWs) bands (ev): -0.9507 -0.9507 -0.9368 -0.9368 -0.8701 -0.8701 -0.0517 -0.0517 0.5590 0.5590 0.5853 0.5853 1.0032 1.0032 2.9623 2.9623 4.8789 4.8789 4.9277 4.9277 5.0047 5.0047 5.2615 5.2615 5.3125 5.3125 5.6545 5.6545 5.8004 5.8004 5.9859 5.9859 6.4526 6.4526 6.6568 6.6568 6.7115 6.7115 6.8348 6.8348 6.9260 6.9260 6.9833 6.9833 7.2053 7.2053 7.4870 7.4870 7.5397 7.5397 7.8844 7.8844 7.9323 7.9323 7.9672 7.9672 8.1191 8.1191 8.3574 8.3574 8.4065 8.4065 8.7527 8.7527 8.7602 8.7602 8.9647 8.9647 9.0003 9.0003 9.6686 9.6686 9.8087 9.8087 9.8546 9.8546 10.0290 10.0290 10.2886 10.2886 10.3766 10.3766 10.8609 10.8609 10.8940 10.8940 11.0622 11.0622 11.3807 11.3807 11.5665 11.5665 11.5923 11.5923 k = 0.3333 0.5774-0.0000 ( 14898 PWs) bands (ev): -0.9286 -0.9286 -0.9167 -0.9167 -0.9138 -0.9138 -0.0518 -0.0518 0.5711 0.5711 0.5741 0.5741 1.0035 1.0035 2.9623 2.9623 4.8806 4.8806 4.9604 4.9604 4.9682 4.9682 5.2689 5.2689 5.3042 5.3042 5.6561 5.6561 5.7995 5.7995 5.9864 5.9864 6.4517 6.4517 6.6602 6.6602 6.7220 6.7220 6.8252 6.8252 6.9562 6.9562 6.9567 6.9567 7.2042 7.2042 7.5059 7.5059 7.5204 7.5204 7.9129 7.9129 7.9179 7.9179 7.9458 7.9458 8.1236 8.1236 8.3792 8.3792 8.3800 8.3800 8.7528 8.7528 8.7597 8.7597 8.9719 8.9719 8.9952 8.9952 9.7181 9.7181 9.7587 9.7587 9.8874 9.8874 9.9945 9.9945 10.2916 10.2916 10.3790 10.3790 10.8601 10.8601 10.8832 10.8832 11.0652 11.0652 11.3834 11.3834 11.5717 11.5717 11.5829 11.5829 k = 0.3333 0.5774-0.0000 ( 14898 PWs) bands (ev): -0.9286 -0.9286 -0.9167 -0.9167 -0.9138 -0.9138 -0.0518 -0.0518 0.5711 0.5711 0.5741 0.5741 1.0035 1.0035 2.9623 2.9623 4.8806 4.8806 4.9604 4.9604 4.9682 4.9682 5.2689 5.2689 5.3042 5.3042 5.6561 5.6561 5.7995 5.7995 5.9864 5.9864 6.4517 6.4517 6.6602 6.6602 6.7220 6.7220 6.8252 6.8252 6.9562 6.9562 6.9567 6.9567 7.2042 7.2042 7.5059 7.5059 7.5204 7.5204 7.9129 7.9129 7.9179 7.9179 7.9458 7.9458 8.1236 8.1236 8.3792 8.3792 8.3800 8.3800 8.7528 8.7528 8.7597 8.7597 8.9719 8.9719 8.9952 8.9952 9.7181 9.7181 9.7587 9.7587 9.8874 9.8874 9.9945 9.9945 10.2916 10.2916 10.3790 10.3790 10.8601 10.8601 10.8832 10.8832 11.0652 11.0652 11.3834 11.3834 11.5717 11.5717 11.5829 11.5829 k = 0.3200 0.5543-0.0000 ( 14924 PWs) bands (ev): -0.9718 -0.9718 -0.8946 -0.8946 -0.8911 -0.8911 -0.0517 -0.0517 0.5589 0.5589 0.5853 0.5853 1.0032 1.0032 2.9623 2.9623 4.8801 4.8801 4.9232 4.9232 5.0085 5.0085 5.2601 5.2601 5.3140 5.3140 5.6533 5.6533 5.8011 5.8011 5.9859 5.9859 6.4522 6.4522 6.6558 6.6558 6.7112 6.7112 6.8365 6.8365 6.9212 6.9212 6.9887 6.9887 7.2040 7.2040 7.4864 7.4864 7.5402 7.5402 7.8930 7.8930 7.9179 7.9179 7.9739 7.9739 8.1179 8.1179 8.3652 8.3652 8.4001 8.4001 8.7525 8.7525 8.7603 8.7603 8.9631 8.9631 9.0017 9.0017 9.6664 9.6664 9.8109 9.8109 9.8532 9.8532 10.0303 10.0303 10.2894 10.2894 10.3762 10.3762 10.8610 10.8610 10.8945 10.8945 11.0624 11.0624 11.3814 11.3814 11.5631 11.5631 11.5954 11.5954 k = 0.3067 0.5312-0.0000 ( 14912 PWs) bands (ev): -1.0225 -1.0225 -0.8667 -0.8667 -0.8635 -0.8635 -0.0514 -0.0514 0.5449 0.5449 0.5962 0.5962 1.0020 1.0020 2.9624 2.9624 4.8795 4.8795 4.8840 4.8840 5.0567 5.0567 5.2435 5.2435 5.3339 5.3339 5.6434 5.6434 5.8065 5.8065 5.9845 5.9845 6.4525 6.4525 6.6381 6.6381 6.6919 6.6919 6.8625 6.8625 6.8820 6.8820 7.0208 7.0208 7.2015 7.2015 7.4619 7.4619 7.5647 7.5647 7.8675 7.8675 7.9248 7.9248 8.0170 8.0170 8.1013 8.1013 8.3658 8.3658 8.4180 8.4180 8.7512 8.7512 8.7621 8.7621 8.9446 8.9446 9.0131 9.0131 9.6005 9.6005 9.7938 9.7938 9.8794 9.8794 10.0931 10.0931 10.2838 10.2838 10.3703 10.3703 10.8632 10.8632 10.9260 10.9260 11.0552 11.0552 11.3765 11.3765 11.5515 11.5515 11.6033 11.6035 k = 0.2933 0.5081-0.0000 ( 14904 PWs) bands (ev): -1.0728 -1.0728 -0.8403 -0.8403 -0.8317 -0.8317 -0.0506 -0.0506 0.5304 0.5304 0.6056 0.6056 0.9998 0.9998 2.9625 2.9625 4.8459 4.8459 4.8805 4.8805 5.1080 5.1080 5.2258 5.2258 5.3576 5.3576 5.6263 5.6263 5.8149 5.8149 5.9822 5.9822 6.4507 6.4507 6.6040 6.6040 6.6784 6.6784 6.8408 6.8408 6.8940 6.8940 7.0519 7.0519 7.1961 7.1961 7.4379 7.4379 7.5875 7.5875 7.8440 7.8440 7.9431 7.9431 8.0583 8.0583 8.0816 8.0816 8.3787 8.3787 8.4335 8.4335 8.7480 8.7480 8.7650 8.7650 8.9214 8.9214 9.0246 9.0246 9.5358 9.5358 9.7333 9.7333 9.9469 9.9469 10.1590 10.1590 10.2759 10.2759 10.3675 10.3675 10.8666 10.8666 10.9711 10.9711 11.0470 11.0470 11.3705 11.3705 11.5373 11.5373 11.5481 11.5481 k = 0.2800 0.4850-0.0000 ( 14912 PWs) bands (ev): -1.1222 -1.1222 -0.8131 -0.8131 -0.7985 -0.7985 -0.0494 -0.0494 0.5156 0.5156 0.6134 0.6134 0.9966 0.9966 2.9626 2.9626 4.8100 4.8100 4.8835 4.8835 5.1590 5.1590 5.2111 5.2111 5.3837 5.3837 5.6034 5.6034 5.8240 5.8240 5.9791 5.9791 6.4450 6.4450 6.5605 6.5605 6.6687 6.6687 6.7997 6.7997 6.9258 6.9258 7.0813 7.0813 7.1899 7.1899 7.4148 7.4148 7.6065 7.6065 7.8230 7.8230 7.9715 7.9715 8.0483 8.0483 8.1124 8.1124 8.3998 8.3998 8.4466 8.4466 8.7421 8.7421 8.7692 8.7692 8.8945 8.8945 9.0353 9.0353 9.4738 9.4738 9.6748 9.6748 10.0119 10.0119 10.2217 10.2217 10.2688 10.2688 10.3731 10.3731 10.8715 10.8715 11.0107 11.0107 11.0534 11.0534 11.3645 11.3645 11.4817 11.4817 11.5314 11.5314 k = 0.2667 0.4619-0.0000 ( 14910 PWs) bands (ev): -1.1706 -1.1706 -0.7851 -0.7851 -0.7643 -0.7643 -0.0474 -0.0474 0.5007 0.5007 0.6198 0.6198 0.9921 0.9921 2.9629 2.9629 4.7760 4.7760 4.8890 4.8890 5.1792 5.1792 5.2299 5.2299 5.4115 5.4115 5.5771 5.5771 5.8314 5.8314 5.9752 5.9752 6.4339 6.4339 6.5138 6.5138 6.6599 6.6599 6.7602 6.7602 6.9525 6.9525 7.1082 7.1082 7.1880 7.1880 7.3926 7.3926 7.6193 7.6193 7.8050 7.8050 8.0075 8.0075 8.0282 8.0282 8.1580 8.1580 8.4261 8.4261 8.4578 8.4578 8.7324 8.7324 8.7744 8.7744 8.8645 8.8645 9.0452 9.0452 9.4151 9.4151 9.6194 9.6194 10.0719 10.0719 10.2589 10.2589 10.2831 10.2831 10.3925 10.3925 10.8779 10.8779 11.0104 11.0104 11.1062 11.1062 11.3595 11.3595 11.4217 11.4217 11.5206 11.5206 k = 0.2533 0.4388-0.0000 ( 14912 PWs) bands (ev): -1.2176 -1.2176 -0.7564 -0.7564 -0.7294 -0.7294 -0.0446 -0.0446 0.4857 0.4857 0.6248 0.6248 0.9864 0.9864 2.9632 2.9632 4.7442 4.7442 4.8973 4.8973 5.1664 5.1664 5.2836 5.2836 5.4395 5.4395 5.5503 5.5503 5.8350 5.8350 5.9707 5.9707 6.4156 6.4156 6.4680 6.4680 6.6502 6.6502 6.7241 6.7241 6.9674 6.9674 7.1319 7.1319 7.1976 7.1976 7.3716 7.3716 7.6230 7.6230 7.7906 7.7906 8.0145 8.0145 8.0517 8.0517 8.2031 8.2031 8.4555 8.4555 8.4674 8.4674 8.7180 8.7180 8.7808 8.7808 8.8317 8.8317 9.0541 9.0541 9.3605 9.3605 9.5672 9.5672 10.1236 10.1236 10.2668 10.2668 10.3213 10.3213 10.4311 10.4311 10.8859 10.8859 11.0005 11.0005 11.1730 11.1730 11.3537 11.3537 11.3676 11.3676 11.5094 11.5094 k = 0.2400 0.4157-0.0000 ( 14912 PWs) bands (ev): -1.2631 -1.2631 -0.7272 -0.7272 -0.6941 -0.6941 -0.0407 -0.0407 0.4706 0.4706 0.6286 0.6286 0.9792 0.9792 2.9635 2.9635 4.7147 4.7147 4.9084 4.9084 5.1517 5.1517 5.3399 5.3399 5.4606 5.4606 5.5321 5.5321 5.8335 5.8335 5.9656 5.9656 6.3882 6.3882 6.4266 6.4266 6.6365 6.6365 6.6954 6.6954 6.9667 6.9667 7.1505 7.1505 7.2234 7.2234 7.3522 7.3522 7.6155 7.6155 7.7807 7.7807 8.0146 8.0146 8.0986 8.0986 8.2465 8.2465 8.4750 8.4750 8.4871 8.4871 8.6984 8.6984 8.7879 8.7879 8.7972 8.7972 9.0621 9.0621 9.3104 9.3104 9.5184 9.5184 10.1636 10.1636 10.2852 10.2852 10.3494 10.3494 10.4853 10.4853 10.8954 10.8954 10.9907 10.9907 11.2422 11.2422 11.3121 11.3121 11.3578 11.3578 11.4973 11.4973 k = 0.2267 0.3926-0.0000 ( 14902 PWs) bands (ev): -1.3070 -1.3070 -0.6978 -0.6978 -0.6588 -0.6588 -0.0355 -0.0355 0.4556 0.4556 0.6314 0.6314 0.9706 0.9706 2.9639 2.9639 4.6875 4.6875 4.9219 4.9219 5.1384 5.1384 5.3932 5.3932 5.4559 5.4559 5.5441 5.5441 5.8263 5.8263 5.9601 5.9601 6.3519 6.3519 6.3910 6.3910 6.6139 6.6139 6.6791 6.6791 6.9534 6.9534 7.1607 7.1607 7.2623 7.2623 7.3363 7.3363 7.5968 7.5968 7.7768 7.7768 8.0274 8.0274 8.1484 8.1484 8.2878 8.2878 8.4814 8.4814 8.5193 8.5193 8.6737 8.6737 8.7595 8.7595 8.7977 8.7977 9.0693 9.0693 9.2651 9.2651 9.4727 9.4727 10.1925 10.1925 10.3140 10.3140 10.3736 10.3736 10.5462 10.5462 10.9066 10.9066 10.9826 10.9826 11.2662 11.2662 11.3137 11.3137 11.3606 11.3606 11.4841 11.4841 k = 0.2133 0.3695-0.0000 ( 14896 PWs) bands (ev): -1.3490 -1.3490 -0.6681 -0.6681 -0.6238 -0.6238 -0.0287 -0.0287 0.4408 0.4408 0.6331 0.6331 0.9603 0.9603 2.9643 2.9643 4.6625 4.6625 4.9372 4.9372 5.1275 5.1275 5.4198 5.4198 5.4533 5.4533 5.5806 5.5806 5.8143 5.8143 5.9544 5.9544 6.3122 6.3122 6.3573 6.3573 6.5832 6.5832 6.6742 6.6742 6.9332 6.9332 7.1605 7.1605 7.2911 7.2911 7.3420 7.3420 7.5691 7.5691 7.7799 7.7799 8.0514 8.0514 8.1995 8.1995 8.3264 8.3264 8.4854 8.4854 8.5519 8.5519 8.6448 8.6448 8.7218 8.7218 8.8078 8.8078 9.0758 9.0758 9.2243 9.2243 9.4299 9.4299 10.2149 10.2149 10.3462 10.3462 10.3981 10.3981 10.6086 10.6086 10.9194 10.9194 10.9771 10.9771 11.2341 11.2341 11.3642 11.3642 11.3810 11.3810 11.4712 11.4712 k = 0.2000 0.3464-0.0000 ( 14916 PWs) bands (ev): -1.3891 -1.3891 -0.6386 -0.6386 -0.5898 -0.5898 -0.0199 -0.0199 0.4262 0.4262 0.6340 0.6340 0.9484 0.9484 2.9647 2.9647 4.6398 4.6398 4.9530 4.9530 5.1204 5.1204 5.3936 5.3936 5.4923 5.4923 5.6256 5.6256 5.8007 5.8007 5.9484 5.9484 6.2732 6.2732 6.3229 6.3229 6.5485 6.5485 6.6760 6.6760 6.9105 6.9105 7.1487 7.1487 7.2832 7.2832 7.3917 7.3917 7.5356 7.5356 7.7908 7.7908 8.0841 8.0841 8.2507 8.2507 8.3621 8.3621 8.4851 8.4851 8.5838 8.5838 8.6150 8.6150 8.6839 8.6839 8.8194 8.8194 9.0815 9.0815 9.1877 9.1877 9.3896 9.3896 10.2324 10.2324 10.3772 10.3772 10.4244 10.4244 10.6701 10.6701 10.9335 10.9335 10.9752 10.9752 11.2143 11.2143 11.3753 11.3753 11.4254 11.4254 11.4733 11.4733 k = 0.1867 0.3233-0.0000 ( 14910 PWs) bands (ev): -1.4271 -1.4271 -0.6093 -0.6093 -0.5570 -0.5570 -0.0090 -0.0090 0.4119 0.4119 0.6343 0.6343 0.9349 0.9349 2.9652 2.9652 4.6193 4.6193 4.9673 4.9673 5.1184 5.1184 5.3630 5.3630 5.5276 5.5276 5.6690 5.6690 5.7940 5.7940 5.9423 5.9423 6.2363 6.2363 6.2877 6.2877 6.5119 6.5119 6.6818 6.6818 6.8879 6.8879 7.1250 7.1250 7.2674 7.2674 7.4539 7.4539 7.4990 7.4990 7.8091 7.8091 8.1233 8.1233 8.3010 8.3010 8.3947 8.3947 8.4761 8.4761 8.5873 8.5873 8.6170 8.6170 8.6471 8.6471 8.8323 8.8323 9.0863 9.0863 9.1548 9.1548 9.3518 9.3518 10.2419 10.2419 10.4070 10.4070 10.4531 10.4531 10.7291 10.7291 10.9478 10.9478 10.9791 10.9791 11.2093 11.2093 11.3887 11.3887 11.4219 11.4219 11.5188 11.5188 k = 0.1733 0.3002-0.0000 ( 14904 PWs) bands (ev): -1.4629 -1.4629 -0.5806 -0.5806 -0.5261 -0.5261 0.0045 0.0045 0.3980 0.3980 0.6340 0.6340 0.9196 0.9196 2.9658 2.9658 4.6009 4.6009 4.9780 4.9780 5.1230 5.1230 5.3330 5.3330 5.5541 5.5541 5.6963 5.6963 5.8104 5.8104 5.9360 5.9360 6.2022 6.2022 6.2525 6.2525 6.4740 6.4740 6.6897 6.6897 6.8666 6.8666 7.0898 7.0898 7.2514 7.2514 7.4603 7.4603 7.5203 7.5203 7.8337 7.8337 8.1671 8.1671 8.3494 8.3494 8.4232 8.4232 8.4536 8.4536 8.5725 8.5725 8.6104 8.6104 8.6490 8.6490 8.8468 8.8468 9.0893 9.0893 9.1257 9.1257 9.3160 9.3160 10.2386 10.2386 10.4380 10.4380 10.4848 10.4848 10.7840 10.7840 10.9606 10.9606 10.9920 10.9920 11.2192 11.2192 11.4039 11.4039 11.4070 11.4070 11.5711 11.5711 k = 0.1600 0.2771-0.0000 ( 14908 PWs) bands (ev): -1.4964 -1.4964 -0.5525 -0.5525 -0.4974 -0.4974 0.0207 0.0207 0.3846 0.3846 0.6333 0.6333 0.9026 0.9026 2.9663 2.9663 4.5844 4.5844 4.9837 4.9837 5.1339 5.1339 5.3051 5.3051 5.5688 5.5688 5.7074 5.7074 5.8523 5.8523 5.9304 5.9304 6.1712 6.1712 6.2183 6.2183 6.4358 6.4358 6.6984 6.6984 6.8471 6.8471 7.0449 7.0449 7.2363 7.2363 7.4224 7.4224 7.5873 7.5873 7.8628 7.8628 8.2141 8.2141 8.3935 8.3935 8.4150 8.4150 8.4526 8.4526 8.5637 8.5637 8.5839 8.5839 8.6781 8.6781 8.8628 8.8628 9.0830 9.0830 9.1073 9.1073 9.2822 9.2822 10.2204 10.2204 10.4713 10.4713 10.5198 10.5198 10.8328 10.8328 10.9735 10.9735 11.0146 11.0146 11.2422 11.2422 11.3881 11.3881 11.4250 11.4250 11.6184 11.6184 k = 0.1467 0.2540-0.0000 ( 14912 PWs) bands (ev): -1.5276 -1.5276 -0.5255 -0.5255 -0.4714 -0.4714 0.0399 0.0399 0.3717 0.3717 0.6322 0.6322 0.8840 0.8840 2.9668 2.9668 4.5699 4.5699 4.9851 4.9851 5.1482 5.1482 5.2807 5.2807 5.5715 5.5715 5.7196 5.7196 5.8945 5.8945 5.9343 5.9343 6.1441 6.1441 6.1868 6.1868 6.3978 6.3978 6.7061 6.7061 6.8288 6.8288 6.9929 6.9929 7.2224 7.2224 7.3856 7.3856 7.6540 7.6540 7.8947 7.8947 8.2636 8.2636 8.3683 8.3683 8.4388 8.4388 8.4715 8.4715 8.5446 8.5446 8.5808 8.5808 8.7058 8.7058 8.8804 8.8804 9.0604 9.0604 9.1059 9.1059 9.2502 9.2502 10.1888 10.1888 10.5057 10.5057 10.5575 10.5575 10.8727 10.8727 10.9913 10.9913 11.0452 11.0452 11.2754 11.2754 11.3718 11.3718 11.4469 11.4469 11.6583 11.6583 k = 0.1333 0.2309-0.0000 ( 14920 PWs) bands (ev): -1.5563 -1.5563 -0.4996 -0.4996 -0.4483 -0.4483 0.0620 0.0620 0.3595 0.3595 0.6309 0.6309 0.8639 0.8639 2.9674 2.9674 4.5570 4.5570 4.9834 4.9834 5.1605 5.1605 5.2617 5.2617 5.5684 5.5684 5.7377 5.7377 5.9010 5.9010 5.9713 5.9713 6.1226 6.1226 6.1610 6.1610 6.3609 6.3609 6.7115 6.7115 6.8095 6.8095 6.9384 6.9384 7.2095 7.2095 7.3506 7.3506 7.7194 7.7194 7.9273 7.9273 8.3138 8.3138 8.3221 8.3221 8.4683 8.4683 8.4838 8.4838 8.5355 8.5355 8.5884 8.5884 8.7313 8.7313 8.8993 8.8993 9.0340 9.0340 9.1086 9.1086 9.2201 9.2201 10.1474 10.1474 10.5396 10.5396 10.5962 10.5962 10.9025 10.9025 11.0168 11.0168 11.0825 11.0825 11.3152 11.3152 11.3582 11.3582 11.4707 11.4707 11.6895 11.6897 k = 0.1200 0.2078-0.0000 ( 14916 PWs) bands (ev): -1.5825 -1.5825 -0.4751 -0.4751 -0.4283 -0.4283 0.0867 0.0867 0.3480 0.3480 0.6295 0.6295 0.8423 0.8423 2.9679 2.9679 4.5457 4.5457 4.9803 4.9803 5.1648 5.1648 5.2500 5.2500 5.5684 5.5684 5.7582 5.7582 5.8944 5.8944 6.0051 6.0051 6.1084 6.1084 6.1510 6.1510 6.3258 6.3258 6.7130 6.7130 6.7819 6.7819 6.8904 6.8904 7.1975 7.1975 7.3182 7.3182 7.7824 7.7824 7.9593 7.9593 8.2734 8.2734 8.3667 8.3667 8.4566 8.4566 8.5150 8.5150 8.5457 8.5457 8.5993 8.5993 8.7543 8.7543 8.9192 8.9192 9.0073 9.0073 9.1118 9.1118 9.1918 9.1918 10.0997 10.0997 10.5719 10.5719 10.6335 10.6335 10.9241 10.9241 11.0493 11.0493 11.1248 11.1248 11.3413 11.3413 11.3651 11.3651 11.4957 11.4957 11.7142 11.7180 k = 0.1067 0.1848-0.0000 ( 14920 PWs) bands (ev): -1.6060 -1.6060 -0.4523 -0.4523 -0.4112 -0.4112 0.1138 0.1138 0.3374 0.3374 0.6280 0.6280 0.8195 0.8195 2.9684 2.9684 4.5359 4.5359 4.9766 4.9766 5.1592 5.1592 5.2442 5.2442 5.5778 5.5778 5.7774 5.7774 5.8875 5.8875 6.0105 6.0105 6.0964 6.0964 6.1746 6.1746 6.2933 6.2933 6.7066 6.7066 6.7396 6.7396 6.8597 6.8597 7.1863 7.1863 7.2888 7.2888 7.8419 7.8419 7.9894 7.9894 8.2269 8.2269 8.4177 8.4177 8.4376 8.4376 8.5453 8.5453 8.5624 8.5624 8.6125 8.6125 8.7743 8.7743 8.9391 8.9391 8.9810 8.9810 9.1149 9.1149 9.1655 9.1655 10.0486 10.0486 10.6020 10.6020 10.6674 10.6674 10.9414 10.9414 11.0862 11.0862 11.1693 11.1693 11.3356 11.3356 11.4094 11.4094 11.5211 11.5211 11.7017 11.7017 k = 0.0933 0.1617-0.0000 ( 14911 PWs) bands (ev): -1.6270 -1.6270 -0.4315 -0.4315 -0.3971 -0.3971 0.1426 0.1426 0.3276 0.3276 0.6266 0.6266 0.7958 0.7958 2.9689 2.9689 4.5273 4.5273 4.9730 4.9730 5.1478 5.1478 5.2391 5.2391 5.5986 5.5986 5.7924 5.7924 5.8840 5.8840 5.9971 5.9971 6.0848 6.0848 6.2210 6.2210 6.2648 6.2648 6.6618 6.6618 6.7156 6.7156 6.8442 6.8442 7.1757 7.1757 7.2630 7.2630 7.8970 7.8970 8.0166 8.0166 8.1829 8.1829 8.4155 8.4155 8.4724 8.4724 8.5712 8.5712 8.5803 8.5803 8.6273 8.6273 8.7910 8.7910 8.9484 8.9484 8.9652 8.9652 9.1178 9.1178 9.1414 9.1414 9.9968 9.9968 10.6293 10.6293 10.6967 10.6967 10.9572 10.9572 11.1251 11.1251 11.2122 11.2122 11.3330 11.3330 11.4554 11.4554 11.5461 11.5461 11.6783 11.6783 k = 0.0800 0.1386-0.0000 ( 14909 PWs) bands (ev): -1.6452 -1.6452 -0.4128 -0.4128 -0.3855 -0.3855 0.1722 0.1722 0.3189 0.3189 0.6252 0.6252 0.7716 0.7716 2.9693 2.9693 4.5200 4.5200 4.9697 4.9697 5.1345 5.1345 5.2320 5.2320 5.6286 5.6286 5.8025 5.8025 5.8861 5.8861 5.9786 5.9786 6.0762 6.0762 6.2339 6.2339 6.2799 6.2799 6.5906 6.5906 6.7073 6.7073 6.8349 6.8349 7.1657 7.1657 7.2411 7.2411 7.9468 7.9468 8.0404 8.0404 8.1425 8.1425 8.3988 8.3988 8.5234 8.5234 8.5918 8.5918 8.5987 8.5987 8.6436 8.6436 8.8039 8.8039 8.9248 8.9248 8.9813 8.9813 9.1195 9.1195 9.1207 9.1207 9.9462 9.9462 10.6534 10.6534 10.7211 10.7211 10.9727 10.9727 11.1639 11.1639 11.2481 11.2481 11.3382 11.3382 11.4995 11.4995 11.5699 11.5699 11.6485 11.6485 k = 0.0667 0.1155-0.0000 ( 14897 PWs) bands (ev): -1.6607 -1.6607 -0.3965 -0.3965 -0.3764 -0.3764 0.2017 0.2017 0.3113 0.3113 0.6240 0.6240 0.7476 0.7476 2.9697 2.9697 4.5139 4.5139 4.9669 4.9669 5.1217 5.1217 5.2232 5.2232 5.6617 5.6617 5.8122 5.8122 5.8929 5.8929 5.9609 5.9609 6.0706 6.0706 6.2119 6.2119 6.3335 6.3335 6.5143 6.5143 6.6992 6.6992 6.8270 6.8270 7.1562 7.1562 7.2235 7.2235 7.9904 7.9904 8.0604 8.0604 8.1066 8.1066 8.3850 8.3850 8.5726 8.5726 8.6076 8.6076 8.6166 8.6166 8.6612 8.6612 8.8126 8.8126 8.8986 8.8986 8.9982 8.9982 9.1013 9.1013 9.1227 9.1227 9.8991 9.8991 10.6739 10.6739 10.7412 10.7412 10.9881 10.9881 11.2006 11.2006 11.2722 11.2722 11.3541 11.3541 11.5400 11.5400 11.5907 11.5907 11.6132 11.6132 k = 0.0533 0.0924-0.0000 ( 14875 PWs) bands (ev): -1.6734 -1.6734 -0.3828 -0.3828 -0.3693 -0.3693 0.2296 0.2296 0.3049 0.3049 0.6229 0.6229 0.7247 0.7247 2.9700 2.9700 4.5089 4.5089 4.9647 4.9647 5.1102 5.1102 5.2143 5.2143 5.6884 5.6884 5.8305 5.8305 5.9015 5.9015 5.9472 5.9472 6.0676 6.0676 6.1920 6.1920 6.3849 6.3849 6.4372 6.4372 6.6902 6.6902 6.8189 6.8189 7.1473 7.1473 7.2099 7.2099 8.0268 8.0268 8.0760 8.0760 8.0769 8.0769 8.3743 8.3743 8.6156 8.6156 8.6225 8.6225 8.6334 8.6334 8.6800 8.6800 8.8165 8.8165 8.8725 8.8725 9.0119 9.0119 9.0867 9.0867 9.1247 9.1247 9.8571 9.8571 10.6906 10.6906 10.7573 10.7573 11.0029 11.0029 11.2324 11.2324 11.2877 11.2877 11.3766 11.3766 11.5669 11.5669 11.5782 11.5782 11.6125 11.6125 k = 0.0400 0.0693-0.0000 ( 14871 PWs) bands (ev): -1.6833 -1.6833 -0.3720 -0.3720 -0.3641 -0.3641 0.2544 0.2544 0.3000 0.3000 0.6220 0.6220 0.7040 0.7040 2.9703 2.9703 4.5050 4.5050 4.9631 4.9631 5.1006 5.1006 5.2065 5.2065 5.7024 5.7024 5.8599 5.8599 5.9094 5.9094 5.9431 5.9431 6.0663 6.0663 6.1742 6.1742 6.3607 6.3607 6.4332 6.4332 6.6801 6.6801 6.8105 6.8105 7.1396 7.1396 7.2001 7.2001 8.0478 8.0478 8.0600 8.0600 8.0891 8.0891 8.3664 8.3664 8.6292 8.6292 8.6415 8.6415 8.6662 8.6662 8.6999 8.6999 8.8149 8.8149 8.8470 8.8470 9.0208 9.0208 9.0771 9.0771 9.1263 9.1263 9.8220 9.8220 10.7034 10.7034 10.7699 10.7699 11.0163 11.0163 11.2545 11.2545 11.3051 11.3051 11.3977 11.3977 11.5274 11.5274 11.6051 11.6051 11.6283 11.6283 k = 0.0267 0.0462-0.0000 ( 14875 PWs) bands (ev): -1.6905 -1.6905 -0.3641 -0.3641 -0.3605 -0.3605 0.2740 0.2740 0.2968 0.2968 0.6214 0.6214 0.6872 0.6872 2.9704 2.9704 4.5022 4.5022 4.9620 4.9620 5.0934 5.0934 5.2006 5.2006 5.7066 5.7066 5.8829 5.8829 5.9154 5.9154 5.9633 5.9633 6.0661 6.0661 6.1553 6.1553 6.2928 6.2928 6.4725 6.4725 6.6693 6.6693 6.8029 6.8029 7.1335 7.1335 7.1937 7.1937 8.0324 8.0324 8.0785 8.0785 8.0979 8.0979 8.3610 8.3610 8.6366 8.6366 8.6507 8.6507 8.7042 8.7042 8.7204 8.7204 8.8069 8.8069 8.8231 8.8231 9.0243 9.0243 9.0730 9.0730 9.1275 9.1275 9.7956 9.7956 10.7124 10.7124 10.7790 10.7790 11.0271 11.0271 11.2652 11.2652 11.3298 11.3298 11.4115 11.4115 11.4889 11.4889 11.6259 11.6259 11.6410 11.6410 k = 0.0133 0.0231-0.0000 ( 14885 PWs) bands (ev): -1.6947 -1.6947 -0.3594 -0.3594 -0.3584 -0.3584 0.2854 0.2854 0.2964 0.2964 0.6210 0.6210 0.6760 0.6760 2.9706 2.9706 4.5005 4.5005 4.9613 4.9613 5.0890 5.0890 5.1970 5.1970 5.7070 5.7070 5.8885 5.8885 5.9191 5.9191 6.0103 6.0103 6.0662 6.0662 6.1272 6.1272 6.2437 6.2437 6.5005 6.5005 6.6596 6.6596 6.7975 6.7975 7.1296 7.1296 7.1900 7.1900 8.0216 8.0216 8.0910 8.0910 8.1032 8.1032 8.3578 8.3578 8.6410 8.6410 8.6561 8.6561 8.7359 8.7359 8.7408 8.7408 8.7914 8.7914 8.8035 8.8035 9.0245 9.0245 9.0723 9.0723 9.1282 9.1282 9.7791 9.7791 10.7178 10.7178 10.7846 10.7846 11.0341 11.0341 11.2694 11.2694 11.3582 11.3582 11.4115 11.4115 11.4615 11.4615 11.6378 11.6378 11.6499 11.6499 k = 0.0000 0.0000 0.0000 ( 14881 PWs) bands (ev): -1.6961 -1.6961 -0.3579 -0.3579 -0.3575 -0.3575 0.2879 0.2879 0.2977 0.2977 0.6209 0.6209 0.6721 0.6721 2.9706 2.9706 4.4999 4.4999 4.9611 4.9611 5.0875 5.0875 5.1958 5.1958 5.7068 5.7068 5.8890 5.8890 5.9203 5.9203 6.0492 6.0492 6.0661 6.0661 6.0971 6.0971 6.2269 6.2269 6.5111 6.5111 6.6554 6.6554 6.7955 6.7955 7.1283 7.1283 7.1888 7.1888 8.0180 8.0180 8.0952 8.0952 8.1050 8.1050 8.3568 8.3568 8.6424 8.6424 8.6579 8.6579 8.7498 8.7498 8.7571 8.7571 8.7768 8.7768 8.7938 8.7938 9.0241 9.0241 9.0725 9.0725 9.1285 9.1285 9.7735 9.7735 10.7196 10.7196 10.7865 10.7865 11.0366 11.0366 11.2706 11.2706 11.3800 11.3800 11.3977 11.3977 11.4538 11.4538 11.6415 11.6415 11.6532 11.6532 k = 0.0000 0.0000 0.0000 ( 14881 PWs) bands (ev): -1.6961 -1.6961 -0.3579 -0.3579 -0.3575 -0.3575 0.2879 0.2879 0.2977 0.2977 0.6209 0.6209 0.6721 0.6721 2.9706 2.9706 4.4999 4.4999 4.9611 4.9611 5.0875 5.0875 5.1958 5.1958 5.7068 5.7068 5.8890 5.8890 5.9203 5.9203 6.0492 6.0492 6.0661 6.0661 6.0971 6.0971 6.2269 6.2269 6.5111 6.5111 6.6554 6.6554 6.7955 6.7955 7.1283 7.1283 7.1888 7.1888 8.0180 8.0180 8.0952 8.0952 8.1050 8.1050 8.3568 8.3568 8.6424 8.6424 8.6579 8.6579 8.7498 8.7498 8.7571 8.7571 8.7768 8.7768 8.7938 8.7938 9.0241 9.0241 9.0725 9.0725 9.1285 9.1285 9.7735 9.7735 10.7196 10.7196 10.7865 10.7865 11.0366 11.0366 11.2706 11.2706 11.3800 11.3800 11.3977 11.3977 11.4538 11.4538 11.6415 11.6415 11.6532 11.6532 k = 0.0000 0.0000 0.0272 ( 14845 PWs) bands (ev): -1.6946 -1.6946 -0.3570 -0.3570 -0.3566 -0.3566 0.2881 0.2881 0.2979 0.2979 0.6184 0.6184 0.6732 0.6732 2.9659 2.9659 4.5017 4.5017 4.9614 4.9614 5.0803 5.0803 5.1868 5.1868 5.7079 5.7079 5.8891 5.8891 5.9302 5.9302 6.0576 6.0576 6.0707 6.0707 6.0938 6.0938 6.2265 6.2265 6.5128 6.5128 6.6544 6.6544 6.7950 6.7950 7.1288 7.1288 7.1884 7.1884 7.9505 7.9505 8.1061 8.1061 8.1624 8.1624 8.3591 8.3591 8.6417 8.6417 8.6572 8.6572 8.7506 8.7506 8.7579 8.7579 8.7784 8.7784 8.7955 8.7955 9.0248 9.0248 9.0732 9.0732 9.1306 9.1306 9.7610 9.7610 10.7184 10.7184 10.7859 10.7859 11.0361 11.0361 11.2773 11.2773 11.3779 11.3779 11.3975 11.3975 11.4503 11.4503 11.6396 11.6396 11.6514 11.6514 k = 0.0000 0.0000 0.0544 ( 14869 PWs) bands (ev): -1.6900 -1.6900 -0.3542 -0.3542 -0.3538 -0.3538 0.2887 0.2887 0.2984 0.2984 0.6109 0.6109 0.6767 0.6767 2.9521 2.9521 4.5069 4.5069 4.9626 4.9626 5.0597 5.0597 5.1612 5.1612 5.7103 5.7103 5.8895 5.8895 5.9585 5.9585 6.0776 6.0776 6.0842 6.0842 6.0889 6.0889 6.2258 6.2258 6.5177 6.5177 6.6517 6.6517 6.7937 6.7937 7.1302 7.1302 7.1874 7.1874 7.8552 7.8552 8.1093 8.1093 8.2560 8.2560 8.3664 8.3664 8.6395 8.6395 8.6554 8.6554 8.7529 8.7529 8.7604 8.7604 8.7831 8.7831 8.8003 8.8003 9.0269 9.0269 9.0752 9.0752 9.1371 9.1371 9.7246 9.7246 10.7152 10.7152 10.7840 10.7840 11.0349 11.0349 11.2964 11.2964 11.3720 11.3720 11.3968 11.3968 11.4404 11.4404 11.6339 11.6339 11.6461 11.6461 k = 0.0000 0.0000 0.0816 ( 14863 PWs) bands (ev): -1.6822 -1.6822 -0.3495 -0.3495 -0.3491 -0.3491 0.2896 0.2896 0.2993 0.2993 0.5984 0.5984 0.6824 0.6824 2.9296 2.9296 4.5155 4.5155 4.9649 4.9649 5.0279 5.0279 5.1227 5.1227 5.7114 5.7114 5.8900 5.8900 6.0012 6.0012 6.0651 6.0651 6.1059 6.1059 6.1259 6.1259 6.2254 6.2254 6.5259 6.5259 6.6474 6.6474 6.7917 6.7917 7.1327 7.1327 7.1858 7.1858 7.7578 7.7578 8.1145 8.1145 8.3420 8.3420 8.3865 8.3865 8.6360 8.6360 8.6524 8.6524 8.7567 8.7567 8.7645 8.7645 8.7909 8.7909 8.8082 8.8082 9.0303 9.0303 9.0784 9.0784 9.1479 9.1479 9.6674 9.6674 10.7100 10.7100 10.7808 10.7808 11.0329 11.0329 11.3251 11.3251 11.3632 11.3632 11.3958 11.3958 11.4252 11.4252 11.6250 11.6250 11.6378 11.6378 k = 0.0000 0.0000 0.1088 ( 14839 PWs) bands (ev): -1.6714 -1.6714 -0.3430 -0.3430 -0.3426 -0.3426 0.2907 0.2907 0.3004 0.3004 0.5811 0.5811 0.6903 0.6903 2.8988 2.8988 4.5276 4.5276 4.9691 4.9691 4.9878 4.9878 5.0755 5.0755 5.7087 5.7087 5.8904 5.8904 6.0425 6.0425 6.0541 6.0541 6.1334 6.1334 6.1817 6.1817 6.2274 6.2274 6.5372 6.5372 6.6419 6.6419 6.7892 6.7892 7.1362 7.1362 7.1839 7.1839 7.6603 7.6603 8.1214 8.1214 8.3765 8.3765 8.4607 8.4607 8.6314 8.6314 8.6485 8.6485 8.7619 8.7619 8.7702 8.7702 8.8016 8.8016 8.8190 8.8190 9.0348 9.0348 9.0829 9.0829 9.1629 9.1629 9.5937 9.5937 10.7031 10.7031 10.7763 10.7763 11.0302 11.0302 11.3511 11.3511 11.3591 11.3591 11.3974 11.3974 11.4062 11.4062 11.6133 11.6133 11.6270 11.6270 k = 0.0000 0.0000 0.1360 ( 14875 PWs) bands (ev): -1.6576 -1.6576 -0.3347 -0.3347 -0.3342 -0.3342 0.2921 0.2921 0.3017 0.3017 0.5590 0.5590 0.7006 0.7006 2.8606 2.8606 4.5430 4.5430 4.9422 4.9422 4.9756 4.9756 5.0229 5.0229 5.7002 5.7002 5.8896 5.8896 6.0152 6.0152 6.1133 6.1133 6.1602 6.1602 6.2371 6.2371 6.2510 6.2510 6.5511 6.5511 6.6360 6.6360 6.7866 6.7866 7.1409 7.1409 7.1819 7.1819 7.5633 7.5633 8.1296 8.1296 8.3922 8.3922 8.5545 8.5545 8.6259 8.6259 8.6439 8.6439 8.7683 8.7683 8.7774 8.7774 8.8150 8.8150 8.8324 8.8324 9.0402 9.0402 9.0884 9.0884 9.1819 9.1819 9.5088 9.5088 10.6946 10.6946 10.7704 10.7704 11.0272 11.0272 11.3394 11.3394 11.3768 11.3768 11.3852 11.3852 11.4180 11.4180 11.5995 11.5995 11.6145 11.6145 k = 0.0000 0.0000 0.1632 ( 14851 PWs) bands (ev): -1.6407 -1.6407 -0.3247 -0.3247 -0.3241 -0.3241 0.2936 0.2936 0.3032 0.3032 0.5323 0.5323 0.7131 0.7131 2.8158 2.8158 4.5618 4.5618 4.8933 4.8933 4.9676 4.9676 4.9850 4.9850 5.6851 5.6851 5.8847 5.8847 5.9865 5.9865 6.1756 6.1756 6.1764 6.1764 6.2625 6.2625 6.3322 6.3322 6.5660 6.5660 6.6319 6.6319 6.7847 6.7847 7.1467 7.1467 7.1803 7.1803 7.4669 7.4669 8.1388 8.1388 8.4053 8.4053 8.6198 8.6198 8.6390 8.6390 8.6493 8.6493 8.7756 8.7756 8.7858 8.7858 8.8310 8.8310 8.8482 8.8482 9.0462 9.0462 9.0950 9.0950 9.2048 9.2048 9.4182 9.4182 10.6849 10.6849 10.7631 10.7631 11.0239 11.0239 11.3268 11.3268 11.3637 11.3637 11.3770 11.3770 11.4591 11.4591 11.5842 11.5842 11.6010 11.6010 k = 0.0000 0.0000 0.1904 ( 14893 PWs) bands (ev): -1.6208 -1.6208 -0.3129 -0.3129 -0.3123 -0.3123 0.2952 0.2952 0.3046 0.3046 0.5011 0.5011 0.7279 0.7279 2.7652 2.7652 4.5839 4.5839 4.8429 4.8429 4.9116 4.9116 4.9980 4.9980 5.6631 5.6631 5.8691 5.8691 5.9633 5.9633 6.1820 6.1820 6.2380 6.2380 6.3017 6.3017 6.4238 6.4238 6.5772 6.5772 6.6350 6.6350 6.7841 6.7841 7.1536 7.1536 7.1793 7.1793 7.3717 7.3717 8.1483 8.1483 8.4143 8.4143 8.6135 8.6135 8.6340 8.6340 8.7430 8.7430 8.7838 8.7838 8.7953 8.7953 8.8492 8.8492 8.8662 8.8662 9.0522 9.0522 9.1024 9.1024 9.2315 9.2315 9.3282 9.3282 10.6742 10.6742 10.7546 10.7546 11.0208 11.0208 11.3146 11.3146 11.3433 11.3433 11.3736 11.3736 11.5051 11.5051 11.5676 11.5676 11.5868 11.5868 k = 0.0000 0.0000 0.2176 ( 14935 PWs) bands (ev): -1.5979 -1.5979 -0.2995 -0.2995 -0.2988 -0.2988 0.2966 0.2966 0.3060 0.3060 0.4655 0.4655 0.7449 0.7449 2.7099 2.7099 4.6092 4.6092 4.7925 4.7925 4.8562 4.8562 5.0148 5.0148 5.6342 5.6342 5.8367 5.8367 5.9524 5.9524 6.1832 6.1832 6.2978 6.2978 6.3458 6.3458 6.5246 6.5246 6.5790 6.5790 6.6522 6.6522 6.7861 6.7861 7.1618 7.1618 7.1791 7.1791 7.2778 7.2778 8.1578 8.1578 8.4147 8.4147 8.6072 8.6072 8.6293 8.6293 8.7918 8.7918 8.8054 8.8054 8.8359 8.8359 8.8693 8.8693 8.8862 8.8862 9.0573 9.0573 9.1104 9.1104 9.2469 9.2469 9.2617 9.2617 10.6627 10.6627 10.7449 10.7449 11.0180 11.0180 11.3036 11.3036 11.3250 11.3250 11.3696 11.3696 11.5502 11.5502 11.5523 11.5523 11.5726 11.5726 k = 0.0000 0.0000 0.2448 ( 14929 PWs) bands (ev): -1.5721 -1.5721 -0.2844 -0.2844 -0.2837 -0.2837 0.2979 0.2979 0.3071 0.3071 0.4258 0.4258 0.7641 0.7641 2.6506 2.6506 4.6377 4.6377 4.7431 4.7431 4.8026 4.8026 5.0357 5.0357 5.5988 5.5988 5.7902 5.7902 5.9516 5.9516 6.1834 6.1834 6.3516 6.3516 6.3889 6.3889 6.5747 6.5747 6.6330 6.6330 6.6818 6.6818 6.7924 6.7924 7.1712 7.1712 7.1801 7.1801 7.1858 7.1858 8.1667 8.1667 8.4003 8.4003 8.6014 8.6014 8.6253 8.6253 8.8005 8.8005 8.8159 8.8159 8.8911 8.8911 8.9078 8.9078 8.9262 8.9262 9.0599 9.0599 9.1190 9.1190 9.1838 9.1838 9.2951 9.2951 10.6509 10.6509 10.7344 10.7344 11.0159 11.0159 11.2944 11.2944 11.3096 11.3096 11.3658 11.3658 11.5319 11.5319 11.5585 11.5585 11.5997 11.5997 k = 0.0000 0.0000 0.2719 ( 14929 PWs) bands (ev): -1.5434 -1.5434 -0.2679 -0.2679 -0.2670 -0.2670 0.2987 0.2987 0.3078 0.3078 0.3822 0.3822 0.7856 0.7856 2.5881 2.5881 4.6692 4.6692 4.6956 4.6956 4.7515 4.7515 5.0610 5.0610 5.5573 5.5573 5.7350 5.7350 5.9559 5.9559 6.1840 6.1840 6.3954 6.3954 6.4269 6.4269 6.5707 6.5707 6.7200 6.7200 6.7480 6.7480 6.8047 6.8047 7.0965 7.0965 7.1816 7.1816 7.1824 7.1824 8.1746 8.1746 8.3647 8.3647 8.5963 8.5963 8.6221 8.6221 8.8090 8.8090 8.8264 8.8264 8.9142 8.9142 8.9308 8.9308 9.0142 9.0142 9.0592 9.0592 9.1280 9.1280 9.1474 9.1474 9.3313 9.3313 10.6392 10.6392 10.7236 10.7236 11.0149 11.0149 11.2874 11.2874 11.2979 11.2979 11.3625 11.3625 11.5125 11.5125 11.5448 11.5448 11.6099 11.6099 k = 0.0000 0.0000 0.2991 ( 14935 PWs) bands (ev): -1.5118 -1.5118 -0.2499 -0.2499 -0.2489 -0.2489 0.2990 0.2990 0.3079 0.3079 0.3350 0.3350 0.8093 0.8093 2.5232 2.5232 4.6509 4.6509 4.7036 4.7036 4.7038 4.7038 5.0908 5.0908 5.5105 5.5105 5.6741 5.6741 5.9632 5.9632 6.1853 6.1853 6.4244 6.4244 6.4568 6.4568 6.5712 6.5712 6.7649 6.7649 6.8246 6.8246 6.8682 6.8682 7.0115 7.0115 7.1860 7.1860 7.1932 7.1932 8.1812 8.1812 8.3048 8.3048 8.5922 8.5922 8.6201 8.6201 8.8170 8.8170 8.8366 8.8366 8.9382 8.9382 8.9548 8.9548 9.0617 9.0617 9.0995 9.0995 9.1353 9.1353 9.1372 9.1372 9.3699 9.3699 10.6282 10.6282 10.7128 10.7128 11.0154 11.0154 11.2831 11.2831 11.2903 11.2903 11.3602 11.3602 11.4917 11.4917 11.5316 11.5316 11.5748 11.5748 k = 0.0000 0.0000 0.3263 ( 14911 PWs) bands (ev): -1.4774 -1.4774 -0.2305 -0.2305 -0.2294 -0.2294 0.2844 0.2844 0.2987 0.2987 0.3074 0.3074 0.8352 0.8352 2.4563 2.4563 4.6094 4.6094 4.6595 4.6595 4.7413 4.7413 5.1252 5.1252 5.4588 5.4588 5.6091 5.6091 5.9723 5.9723 6.1877 6.1877 6.4358 6.4358 6.4772 6.4772 6.5768 6.5768 6.8144 6.8144 6.8526 6.8526 6.9342 6.9342 6.9920 6.9920 7.1912 7.1912 7.2059 7.2059 8.1865 8.1865 8.2229 8.2229 8.5893 8.5893 8.6195 8.6195 8.8242 8.8242 8.8461 8.8461 8.9629 8.9629 8.9795 8.9795 9.0767 9.0767 9.1365 9.1365 9.1466 9.1466 9.1817 9.1817 9.4105 9.4105 10.6185 10.6185 10.7029 10.7029 11.0178 11.0178 11.2815 11.2815 11.2869 11.2869 11.3591 11.3591 11.4697 11.4697 11.5186 11.5186 11.5458 11.5458 k = 0.0000 0.0000 0.3535 ( 14923 PWs) bands (ev): -1.4403 -1.4403 -0.2099 -0.2099 -0.2087 -0.2087 0.2307 0.2307 0.2975 0.2975 0.3060 0.3060 0.8633 0.8633 2.3882 2.3882 4.5718 4.5718 4.6196 4.6196 4.7816 4.7816 5.1643 5.1643 5.4031 5.4031 5.5411 5.5411 5.9829 5.9829 6.1912 6.1912 6.4329 6.4329 6.4884 6.4884 6.5789 6.5789 6.8533 6.8533 6.8843 6.8843 6.8877 6.8877 7.1174 7.1174 7.1977 7.1977 7.2202 7.2202 8.1249 8.1249 8.1907 8.1907 8.5878 8.5878 8.6203 8.6203 8.8303 8.8303 8.8545 8.8545 8.9879 8.9879 9.0045 9.0045 9.1050 9.1050 9.1452 9.1452 9.1559 9.1559 9.2602 9.2602 9.4525 9.4525 10.6107 10.6107 10.6944 10.6944 11.0225 11.0225 11.2830 11.2830 11.2879 11.2879 11.3595 11.3595 11.4476 11.4476 11.5057 11.5057 11.5215 11.5215 k = 0.0000 0.0000 0.3807 ( 14941 PWs) bands (ev): -1.4004 -1.4004 -0.1881 -0.1881 -0.1868 -0.1868 0.1742 0.1742 0.2952 0.2952 0.3036 0.3036 0.8935 0.8935 2.3193 2.3193 4.5384 4.5384 4.5845 4.5845 4.8246 4.8246 5.2079 5.2079 5.3440 5.3440 5.4710 5.4710 5.9947 5.9947 6.1959 6.1959 6.4212 6.4212 6.4919 6.4919 6.5627 6.5627 6.8223 6.8223 6.9279 6.9279 6.9290 6.9290 7.2055 7.2055 7.2222 7.2222 7.2560 7.2560 8.0172 8.0172 8.1949 8.1949 8.5879 8.5879 8.6227 8.6227 8.8350 8.8350 8.8616 8.8616 9.0129 9.0129 9.0296 9.0296 9.1334 9.1334 9.1651 9.1651 9.1686 9.1686 9.3348 9.3348 9.4953 9.4953 10.6054 10.6054 10.6880 10.6880 11.0299 11.0299 11.2874 11.2874 11.2934 11.2934 11.3617 11.3617 11.4262 11.4262 11.4924 11.4924 11.5001 11.5051 k = 0.0000 0.0000 0.4079 ( 14905 PWs) bands (ev): -1.3580 -1.3580 -0.1653 -0.1653 -0.1639 -0.1639 0.1152 0.1152 0.2919 0.2919 0.3000 0.3000 0.9259 0.9259 2.2499 2.2499 4.5097 4.5097 4.5543 4.5543 4.8701 4.8701 5.2562 5.2562 5.2825 5.2825 5.3997 5.3997 6.0077 6.0077 6.2016 6.2016 6.4046 6.4046 6.4896 6.4896 6.5200 6.5200 6.8088 6.8088 6.9706 6.9706 6.9845 6.9845 7.2144 7.2144 7.2440 7.2440 7.3728 7.3728 7.9050 7.9050 8.2010 8.2010 8.5897 8.5897 8.6268 8.6268 8.8379 8.8379 8.8671 8.8671 9.0375 9.0375 9.0544 9.0544 9.1479 9.1479 9.1741 9.1741 9.2162 9.2162 9.4051 9.4051 9.5382 9.5382 10.6031 10.6031 10.6845 10.6845 11.0405 11.0405 11.2942 11.2942 11.3034 11.3034 11.3655 11.3655 11.4059 11.4059 11.4484 11.4484 11.4781 11.4781 k = 0.0000 0.0000 0.4351 ( 14899 PWs) bands (ev): -1.3131 -1.3131 -0.1416 -0.1416 -0.1400 -0.1400 0.0540 0.0540 0.2872 0.2872 0.2951 0.2951 0.9604 0.9604 2.1805 2.1805 4.4859 4.4859 4.5294 4.5294 4.9179 4.9179 5.2192 5.2192 5.3083 5.3083 5.3287 5.3287 6.0217 6.0217 6.2083 6.2083 6.3845 6.3845 6.4576 6.4576 6.4830 6.4830 6.8136 6.8136 7.0140 7.0140 7.0394 7.0394 7.2243 7.2243 7.2591 7.2591 7.4894 7.4894 7.7930 7.7930 8.2125 8.2125 8.5934 8.5934 8.6326 8.6326 8.8387 8.8387 8.8708 8.8708 9.0615 9.0615 9.0786 9.0786 9.1576 9.1576 9.1828 9.1828 9.2749 9.2749 9.4706 9.4706 9.5805 9.5805 10.6045 10.6045 10.6845 10.6845 11.0544 11.0544 11.3002 11.3002 11.3179 11.3179 11.3667 11.3667 11.3851 11.3851 11.3862 11.3863 11.4617 11.4617 k = 0.0000 0.0000 0.4623 ( 14923 PWs) bands (ev): -1.2656 -1.2656 -0.1172 -0.1172 -0.1154 -0.1154 -0.0091 -0.0091 0.2812 0.2812 0.2887 0.2887 0.9970 0.9970 2.1113 2.1113 4.4674 4.4674 4.5101 4.5101 4.9674 4.9674 5.1548 5.1548 5.2568 5.2568 5.3665 5.3665 6.0369 6.0369 6.2159 6.2159 6.3585 6.3585 6.3892 6.3892 6.4735 6.4735 6.8247 6.8247 7.0563 7.0563 7.0921 7.0921 7.2348 7.2348 7.2736 7.2736 7.5933 7.5933 7.6854 7.6854 8.2352 8.2352 8.5991 8.5991 8.6401 8.6401 8.8374 8.8374 8.8723 8.8723 9.0845 9.0845 9.1018 9.1018 9.1661 9.1661 9.1913 9.1913 9.3380 9.3380 9.5311 9.5311 9.6215 9.6215 10.6098 10.6098 10.6883 10.6883 11.0720 11.0720 11.2756 11.2756 11.3369 11.3369 11.3389 11.3389 11.3658 11.3658 11.3830 11.3830 11.4419 11.4419 k = 0.0000 0.0000 0.4895 ( 14965 PWs) bands (ev): -1.2159 -1.2159 -0.0921 -0.0921 -0.0902 -0.0902 -0.0737 -0.0737 0.2736 0.2736 0.2809 0.2809 1.0357 1.0357 2.0426 2.0426 4.4544 4.4544 4.4966 4.4966 5.0170 5.0170 5.0901 5.0901 5.1888 5.1888 5.4280 5.4280 6.0532 6.0532 6.2245 6.2245 6.2995 6.2995 6.3481 6.3481 6.4619 6.4619 6.8332 6.8332 7.0964 7.0964 7.1416 7.1416 7.2457 7.2457 7.2877 7.2877 7.5871 7.5871 7.6754 7.6754 8.2769 8.2769 8.6070 8.6070 8.6492 8.6492 8.8337 8.8337 8.8717 8.8717 9.1062 9.1062 9.1238 9.1238 9.1739 9.1739 9.1993 9.1993 9.4019 9.4019 9.5863 9.5863 9.6604 9.6604 10.6195 10.6195 10.6966 10.6966 11.0933 11.0933 11.2046 11.2046 11.3423 11.3423 11.3465 11.3465 11.3602 11.3602 11.3946 11.3946 11.4050 11.4135 k = 0.0000 0.0000 0.5167 ( 14965 PWs) bands (ev): -1.1638 -1.1638 -0.1397 -0.1397 -0.0667 -0.0667 -0.0645 -0.0645 0.2644 0.2644 0.2714 0.2714 1.0765 1.0765 1.9745 1.9745 4.4469 4.4469 4.4889 4.4889 5.0257 5.0257 5.0544 5.0544 5.1365 5.1365 5.4935 5.4935 6.0708 6.0708 6.2219 6.2219 6.2338 6.2338 6.3229 6.3229 6.4489 6.4489 6.8318 6.8318 7.1335 7.1335 7.1866 7.1866 7.2567 7.2567 7.3011 7.3011 7.5044 7.5044 7.7291 7.7291 8.3434 8.3434 8.6175 8.6175 8.6598 8.6598 8.8278 8.8278 8.8689 8.8689 9.1266 9.1266 9.1443 9.1443 9.1811 9.1811 9.2068 9.2068 9.4632 9.4632 9.6361 9.6361 9.6966 9.6966 10.6339 10.6339 10.7096 10.7096 11.1183 11.1183 11.1263 11.1263 11.3133 11.3133 11.3609 11.3609 11.3731 11.3738 11.3825 11.3825 11.3916 11.3916 k = 0.0000 0.0000 0.5439 ( 14947 PWs) bands (ev): -1.1096 -1.1096 -0.2067 -0.2067 -0.0409 -0.0409 -0.0385 -0.0385 0.2535 0.2535 0.2602 0.2602 1.1193 1.1193 1.9074 1.9074 4.4452 4.4452 4.4873 4.4873 4.9623 4.9623 5.0261 5.0261 5.1538 5.1538 5.5628 5.5628 6.0898 6.0898 6.1423 6.1423 6.2439 6.2439 6.2983 6.2983 6.4350 6.4350 6.8136 6.8136 7.1672 7.1672 7.2256 7.2256 7.2673 7.2673 7.3135 7.3135 7.4446 7.4446 7.7539 7.7539 8.4334 8.4334 8.6319 8.6319 8.6718 8.6718 8.8197 8.8197 8.8638 8.8638 9.1452 9.1452 9.1630 9.1630 9.1876 9.1876 9.2138 9.2138 9.5178 9.5178 9.6804 9.6804 9.7293 9.7293 10.6531 10.6531 10.7275 10.7275 11.0499 11.0499 11.1465 11.1465 11.2769 11.2769 11.3375 11.3375 11.3473 11.3473 11.3747 11.3747 11.4205 11.4205 k = 0.0000 0.0000 0.5711 ( 14929 PWs) bands (ev): -1.0533 -1.0533 -0.2743 -0.2743 -0.0150 -0.0150 -0.0124 -0.0124 0.2410 0.2410 0.2474 0.2474 1.1641 1.1641 1.8412 1.8412 4.4493 4.4493 4.4917 4.4917 4.9005 4.9005 4.9659 4.9659 5.2073 5.2073 5.6353 5.6353 6.0627 6.0627 6.1106 6.1106 6.2547 6.2547 6.2731 6.2731 6.4205 6.4205 6.7744 6.7744 7.1970 7.1970 7.2566 7.2566 7.2771 7.2771 7.3245 7.3245 7.4138 7.4138 7.7556 7.7556 8.5345 8.5345 8.6562 8.6562 8.6851 8.6851 8.8095 8.8095 8.8566 8.8566 9.1621 9.1621 9.1798 9.1798 9.1933 9.1933 9.2200 9.2200 9.5608 9.5608 9.7190 9.7190 9.7582 9.7582 10.6772 10.6772 10.7504 10.7504 10.9807 10.9807 11.1773 11.1773 11.2333 11.2333 11.2973 11.2973 11.3027 11.3027 11.3857 11.3857 11.4564 11.4589 k = 0.0000 0.0000 0.5983 ( 14964 PWs) bands (ev): -0.9952 -0.9952 -0.3424 -0.3424 0.0108 0.0108 0.0137 0.0137 0.2268 0.2268 0.2328 0.2328 1.2108 1.2108 1.7763 1.7763 4.4592 4.4592 4.5021 4.5021 4.8408 4.8408 4.9039 4.9039 5.2675 5.2675 5.7104 5.7104 5.9836 5.9836 6.1335 6.1335 6.2468 6.2468 6.2662 6.2662 6.4056 6.4056 6.7151 6.7151 7.2228 7.2228 7.2790 7.2790 7.2856 7.2856 7.3339 7.3339 7.4118 7.4118 7.7413 7.7413 8.6104 8.6104 8.6994 8.6994 8.7188 8.7188 8.7975 8.7975 8.8474 8.8474 9.1772 9.1772 9.1944 9.1944 9.1981 9.1981 9.2255 9.2255 9.5866 9.5866 9.7518 9.7518 9.7827 9.7827 10.7062 10.7062 10.7784 10.7784 10.9246 10.9246 11.1838 11.1838 11.2086 11.2086 11.2526 11.2526 11.2529 11.2529 11.3932 11.3932 11.4894 11.4918 k = 0.0000 0.0000 0.6255 ( 14922 PWs) bands (ev): -0.9352 -0.9352 -0.4107 -0.4107 0.0364 0.0364 0.0395 0.0395 0.2109 0.2109 0.2166 0.2166 1.2595 1.2595 1.7126 1.7126 4.4748 4.4748 4.5186 4.5186 4.7838 4.7838 4.8440 4.8440 5.3309 5.3309 5.7871 5.7871 5.9054 5.9054 6.1594 6.1594 6.2190 6.2190 6.2782 6.2782 6.3906 6.3906 6.6412 6.6412 7.2447 7.2447 7.2924 7.2924 7.2957 7.2957 7.3412 7.3412 7.4303 7.4303 7.7165 7.7165 8.6434 8.6434 8.7146 8.7146 8.7838 8.7838 8.8308 8.8308 8.8364 8.8364 9.1909 9.1909 9.2017 9.2017 9.2068 9.2068 9.2300 9.2300 9.5896 9.5896 9.7789 9.7789 9.8025 9.8025 10.7399 10.7399 10.8112 10.8112 10.8874 10.8874 11.1311 11.1311 11.1941 11.1941 11.2000 11.2000 11.2477 11.2477 11.3969 11.3969 11.5193 11.5235 k = 0.0000 0.0000 0.6527 ( 14934 PWs) bands (ev): -0.8736 -0.8736 -0.4789 -0.4789 0.0615 0.0615 0.0649 0.0649 0.1935 0.1935 0.1988 0.1988 1.3100 1.3100 1.6503 1.6503 4.4960 4.4960 4.5409 4.5409 4.7300 4.7300 4.7872 4.7872 5.3966 5.3966 5.8283 5.8283 5.8638 5.8638 6.1887 6.1887 6.1895 6.1895 6.2909 6.2909 6.3756 6.3756 6.5598 6.5598 7.2626 7.2626 7.2971 7.2971 7.3104 7.3104 7.3461 7.3461 7.4596 7.4596 7.6848 7.6848 8.6643 8.6643 8.7305 8.7305 8.7688 8.7688 8.8239 8.8239 8.9557 8.9557 9.2039 9.2039 9.2040 9.2040 9.2169 9.2169 9.2332 9.2332 9.5658 9.5658 9.8004 9.8004 9.8175 9.8175 10.7781 10.7781 10.8487 10.8487 10.8730 10.8730 11.0766 11.0766 11.1371 11.1371 11.1454 11.1454 11.2794 11.2794 11.3960 11.3960 11.5451 11.5474 k = 0.0000 0.0000 0.6799 ( 14892 PWs) bands (ev): -0.8105 -0.8105 -0.5467 -0.5467 0.0860 0.0860 0.0898 0.0898 0.1745 0.1745 0.1795 0.1795 1.3624 1.3624 1.5895 1.5895 4.5228 4.5228 4.5690 4.5690 4.6798 4.6798 4.7342 4.7342 5.4643 5.4643 5.7525 5.7525 5.9380 5.9380 6.1546 6.1546 6.2260 6.2260 6.3040 6.3040 6.3607 6.3607 6.4772 6.4772 7.2769 7.2769 7.2993 7.2993 7.3236 7.3236 7.3481 7.3481 7.4944 7.4944 7.6489 7.6489 8.6828 8.6828 8.7467 8.7467 8.7527 8.7527 8.8099 8.8099 9.0756 9.0756 9.2043 9.2043 9.2201 9.2201 9.2248 9.2248 9.2351 9.2351 9.5146 9.5146 9.8163 9.8163 9.8275 9.8275 10.8206 10.8206 10.8824 10.8824 10.8905 10.8905 11.0219 11.0219 11.0759 11.0759 11.0907 11.0907 11.3102 11.3102 11.3899 11.3899 11.5622 11.5680 k = 0.0000 0.0000 0.7071 ( 14904 PWs) bands (ev): -0.7461 -0.7461 -0.6140 -0.6140 0.1097 0.1097 0.1138 0.1138 0.1541 0.1541 0.1588 0.1588 1.4166 1.4166 1.5302 1.5302 4.5548 4.5548 4.6026 4.6026 4.6336 4.6336 4.6856 4.6856 5.5339 5.5339 5.6781 5.6781 6.0062 6.0062 6.1144 6.1144 6.2718 6.2718 6.3176 6.3176 6.3460 6.3460 6.3987 6.3987 7.2875 7.2875 7.2985 7.2985 7.3345 7.3345 7.3469 7.3469 7.5320 7.5320 7.6105 7.6105 8.7008 8.7008 8.7358 8.7358 8.7631 8.7631 8.7950 8.7950 9.1638 9.1638 9.2019 9.2019 9.2304 9.2304 9.2354 9.2354 9.2608 9.2608 9.4394 9.4394 9.8269 9.8269 9.8324 9.8324 10.8668 10.8668 10.9127 10.9127 10.9362 10.9362 10.9681 10.9681 11.0149 11.0149 11.0370 11.0370 11.3377 11.3377 11.3781 11.3781 11.5683 11.5696 k = 0.0000 0.0000 0.7343 ( 14892 PWs) bands (ev): -0.6805 -0.6805 -0.6805 -0.6805 0.1325 0.1325 0.1325 0.1325 0.1369 0.1369 0.1369 0.1369 1.4726 1.4726 1.4726 1.4726 4.5918 4.5918 4.5918 4.5918 4.6416 4.6416 4.6416 4.6416 5.6052 5.6052 5.6052 5.6052 6.0654 6.0654 6.0654 6.0654 6.3293 6.3293 6.3293 6.3293 6.3316 6.3316 6.3316 6.3316 7.2947 7.2947 7.2947 7.2947 7.3424 7.3424 7.3424 7.3424 7.5711 7.5711 7.5711 7.5711 8.7185 8.7185 8.7185 8.7185 8.7792 8.7792 8.7792 8.7792 9.1936 9.1936 9.1936 9.1936 9.2339 9.2339 9.2339 9.2339 9.3478 9.3478 9.3478 9.3478 9.8322 9.8322 9.8322 9.8322 10.9162 10.9162 10.9162 10.9162 10.9587 10.9587 10.9587 10.9587 10.9852 10.9852 10.9852 10.9852 11.3606 11.3606 11.3606 11.3606 11.5706 11.5712 k = 0.0000 0.0000 0.7343 ( 14892 PWs) bands (ev): -0.6805 -0.6805 -0.6805 -0.6805 0.1325 0.1325 0.1325 0.1325 0.1369 0.1369 0.1369 0.1369 1.4726 1.4726 1.4726 1.4726 4.5918 4.5918 4.5918 4.5918 4.6416 4.6416 4.6416 4.6416 5.6052 5.6052 5.6052 5.6052 6.0654 6.0654 6.0654 6.0654 6.3293 6.3293 6.3293 6.3293 6.3316 6.3316 6.3316 6.3316 7.2947 7.2947 7.2947 7.2947 7.3424 7.3424 7.3424 7.3424 7.5711 7.5711 7.5711 7.5711 8.7185 8.7185 8.7185 8.7185 8.7792 8.7792 8.7792 8.7792 9.1936 9.1936 9.1936 9.1936 9.2339 9.2339 9.2339 9.2339 9.3478 9.3478 9.3478 9.3478 9.8322 9.8322 9.8322 9.8322 10.9162 10.9162 10.9162 10.9162 10.9587 10.9587 10.9587 10.9587 10.9852 10.9852 10.9852 10.9852 11.3606 11.3606 11.3606 11.3606 11.5708 11.5713 k = 0.0227 0.0131 0.7343 ( 14892 PWs) bands (ev): -0.6795 -0.6795 -0.6795 -0.6795 0.1319 0.1319 0.1320 0.1320 0.1363 0.1363 0.1363 0.1363 1.4713 1.4713 1.4713 1.4713 4.5927 4.5927 4.5929 4.5929 4.6428 4.6428 4.6430 4.6430 5.6081 5.6081 5.6082 5.6082 6.0592 6.0592 6.0593 6.0593 6.3073 6.3073 6.3076 6.3076 6.3597 6.3597 6.3600 6.3600 7.2924 7.2924 7.2927 7.2927 7.3402 7.3402 7.3406 7.3406 7.5722 7.5722 7.5722 7.5722 8.7185 8.7185 8.7186 8.7186 8.7792 8.7792 8.7793 8.7793 9.1930 9.1930 9.1930 9.1930 9.2330 9.2330 9.2330 9.2330 9.3482 9.3482 9.3483 9.3483 9.8334 9.8334 9.8334 9.8334 10.9087 10.9087 10.9088 10.9088 10.9566 10.9566 10.9576 10.9576 10.9914 10.9914 10.9924 10.9924 11.3466 11.3466 11.3474 11.3474 11.5667 11.5669 k = 0.0455 0.0262 0.7343 ( 14880 PWs) bands (ev): -0.6763 -0.6763 -0.6763 -0.6763 0.1301 0.1301 0.1305 0.1305 0.1345 0.1345 0.1348 0.1348 1.4676 1.4676 1.4676 1.4676 4.5940 4.5940 4.5953 4.5953 4.6474 4.6474 4.6488 4.6488 5.6168 5.6168 5.6171 5.6171 6.0410 6.0410 6.0418 6.0418 6.2915 6.2915 6.2932 6.2932 6.3928 6.3928 6.3937 6.3937 7.2844 7.2844 7.2866 7.2866 7.3339 7.3339 7.3365 7.3365 7.5750 7.5750 7.5753 7.5753 8.7184 8.7184 8.7191 8.7191 8.7789 8.7789 8.7795 8.7795 9.1913 9.1913 9.1914 9.1914 9.2305 9.2305 9.2306 9.2306 9.3495 9.3495 9.3498 9.3498 9.8370 9.8370 9.8371 9.8371 10.8924 10.8924 10.8925 10.8925 10.9469 10.9469 10.9504 10.9504 11.0064 11.0064 11.0109 11.0109 11.3128 11.3128 11.3170 11.3170 11.5528 11.5528 k = 0.0682 0.0394 0.7343 ( 14884 PWs) bands (ev): -0.6711 -0.6711 -0.6711 -0.6711 0.1270 0.1270 0.1282 0.1282 0.1313 0.1313 0.1325 0.1325 1.4616 1.4616 1.4616 1.4616 4.5931 4.5931 4.5966 4.5966 4.6578 4.6578 4.6616 4.6616 5.6307 5.6307 5.6315 5.6315 6.0130 6.0130 6.0154 6.0154 6.2833 6.2833 6.2870 6.2870 6.4279 6.4279 6.4296 6.4296 7.2697 7.2697 7.2758 7.2758 7.3251 7.3251 7.3324 7.3324 7.5786 7.5786 7.5794 7.5794 8.7181 8.7181 8.7203 8.7203 8.7781 8.7781 8.7802 8.7802 9.1883 9.1883 9.1889 9.1889 9.2264 9.2264 9.2266 9.2266 9.3518 9.3518 9.3527 9.3527 9.8428 9.8428 9.8430 9.8430 10.8725 10.8725 10.8726 10.8726 10.9300 10.9300 10.9361 10.9361 11.0230 11.0230 11.0327 11.0327 11.2738 11.2738 11.2836 11.2836 11.5361 11.5361 k = 0.0909 0.0525 0.7343 ( 14896 PWs) bands (ev): -0.6638 -0.6638 -0.6638 -0.6638 0.1223 0.1223 0.1251 0.1251 0.1267 0.1267 0.1294 0.1294 1.4534 1.4534 1.4534 1.4534 4.5892 4.5892 4.5950 4.5950 4.6760 4.6760 4.6825 4.6825 5.6489 5.6489 5.6509 5.6509 5.9781 5.9781 5.9828 5.9828 6.2814 6.2814 6.2877 6.2877 6.4634 6.4634 6.4658 6.4658 7.2484 7.2484 7.2592 7.2592 7.3157 7.3157 7.3289 7.3289 7.5821 7.5821 7.5836 7.5836 8.7173 8.7173 8.7224 8.7224 8.7769 8.7769 8.7817 8.7817 9.1838 9.1838 9.1856 9.1856 9.2212 9.2212 9.2215 9.2215 9.3552 9.3552 9.3571 9.3571 9.8505 9.8505 9.8508 9.8508 10.8492 10.8492 10.8496 10.8496 10.9067 10.9067 10.9158 10.9158 11.0343 11.0343 11.0509 11.0509 11.2430 11.2430 11.2591 11.2591 11.5197 11.5197 k = 0.1136 0.0656 0.7343 ( 14904 PWs) bands (ev): -0.6545 -0.6545 -0.6544 -0.6544 0.1161 0.1161 0.1202 0.1202 0.1217 0.1217 0.1258 0.1258 1.4432 1.4432 1.4433 1.4433 4.5829 4.5829 4.5906 4.5906 4.7020 4.7020 4.7110 4.7110 5.6700 5.6700 5.6742 5.6742 5.9392 5.9392 5.9474 5.9474 6.2846 6.2846 6.2939 6.2939 6.4980 6.4980 6.5011 6.5011 7.2220 7.2220 7.2368 7.2368 7.3068 7.3068 7.3258 7.3258 7.5844 7.5844 7.5869 7.5869 8.7159 8.7159 8.7256 8.7256 8.7751 8.7751 8.7840 8.7840 9.1777 9.1777 9.1818 9.1818 9.2145 9.2145 9.2164 9.2164 9.3602 9.3602 9.3631 9.3631 9.8595 9.8595 9.8601 9.8601 10.8210 10.8210 10.8231 10.8231 10.8771 10.8771 10.8909 10.8909 11.0352 11.0352 11.0585 11.0585 11.2319 11.2319 11.2526 11.2526 11.5047 11.5047 k = 0.1364 0.0787 0.7343 ( 14916 PWs) bands (ev): -0.6431 -0.6431 -0.6431 -0.6431 0.1082 0.1082 0.1123 0.1123 0.1175 0.1175 0.1216 0.1216 1.4315 1.4315 1.4315 1.4315 4.5752 4.5752 4.5844 4.5844 4.7348 4.7348 4.7460 4.7460 5.6918 5.6918 5.7000 5.7000 5.8992 5.8992 5.9126 5.9126 6.2916 6.2916 6.3043 6.3043 6.5308 6.5308 6.5346 6.5346 7.1916 7.1916 7.2094 7.2094 7.2982 7.2982 7.3224 7.3224 7.5853 7.5853 7.5889 7.5889 8.7140 8.7140 8.7297 8.7297 8.7729 8.7729 8.7874 8.7874 9.1698 9.1698 9.1775 9.1775 9.2069 9.2069 9.2119 9.2119 9.3669 9.3669 9.3708 9.3708 9.8695 9.8695 9.8705 9.8705 10.7862 10.7862 10.7925 10.7925 10.8411 10.8411 10.8623 10.8623 11.0272 11.0272 11.0545 11.0545 11.2442 11.2442 11.2657 11.2657 11.4909 11.4909 k = 0.1591 0.0919 0.7343 ( 14900 PWs) bands (ev): -0.6298 -0.6298 -0.6298 -0.6298 0.0985 0.0985 0.1025 0.1025 0.1131 0.1131 0.1171 0.1171 1.4184 1.4184 1.4185 1.4185 4.5669 4.5669 4.5771 4.5771 4.7738 4.7738 4.7869 4.7869 5.7101 5.7101 5.7250 5.7250 5.8620 5.8620 5.8832 5.8832 6.3016 6.3016 6.3180 6.3180 6.5612 6.5612 6.5656 6.5656 7.1585 7.1585 7.1779 7.1779 7.2896 7.2896 7.3183 7.3183 7.5846 7.5846 7.5893 7.5893 8.7116 8.7116 8.7347 8.7347 8.7703 8.7703 8.7918 8.7918 9.1603 9.1603 9.1724 9.1724 9.1993 9.1993 9.2085 9.2085 9.3754 9.3754 9.3802 9.3802 9.8797 9.8797 9.8814 9.8814 10.7445 10.7445 10.7569 10.7569 10.8011 10.8011 10.8314 10.8314 11.0172 11.0172 11.0467 11.0467 11.2726 11.2726 11.2922 11.2922 11.4765 11.4765 k = 0.1818 0.1050 0.7343 ( 14904 PWs) bands (ev): -0.6146 -0.6146 -0.6146 -0.6146 0.0870 0.0870 0.0909 0.0909 0.1084 0.1084 0.1123 0.1123 1.4044 1.4044 1.4045 1.4045 4.5587 4.5587 4.5695 4.5695 4.8180 4.8180 4.8330 4.8330 5.7169 5.7169 5.7395 5.7395 5.8375 5.8375 5.8674 5.8674 6.3135 6.3135 6.3343 6.3343 6.5884 6.5884 6.5933 6.5933 7.1232 7.1232 7.1432 7.1432 7.2806 7.2806 7.3132 7.3132 7.5823 7.5823 7.5883 7.5883 8.7088 8.7088 8.7398 8.7398 8.7681 8.7681 8.7971 8.7971 9.1495 9.1495 9.1656 9.1656 9.1933 9.1933 9.2068 9.2068 9.3858 9.3858 9.3912 9.3912 9.8895 9.8895 9.8919 9.8919 10.6970 10.6970 10.7152 10.7152 10.7620 10.7620 10.7998 10.7998 11.0102 11.0102 11.0410 11.0410 11.3081 11.3081 11.3245 11.3245 11.4593 11.4600 k = 0.2045 0.1181 0.7343 ( 14908 PWs) bands (ev): -0.5976 -0.5976 -0.5976 -0.5976 0.0737 0.0737 0.0774 0.0774 0.1036 0.1036 0.1073 0.1073 1.3898 1.3898 1.3899 1.3899 4.5508 4.5508 4.5621 4.5621 4.8668 4.8668 4.8834 4.8834 5.7056 5.7056 5.7274 5.7274 5.8418 5.8418 5.8721 5.8721 6.3267 6.3267 6.3526 6.3526 6.6118 6.6118 6.6174 6.6174 7.0868 7.0868 7.1060 7.1060 7.2712 7.2712 7.3069 7.3069 7.5789 7.5789 7.5860 7.5860 8.7057 8.7057 8.7432 8.7432 8.7677 8.7677 8.8031 8.8031 9.1381 9.1381 9.1562 9.1562 9.1904 9.1904 9.2067 9.2067 9.3977 9.3977 9.4036 9.4036 9.8978 9.8978 9.9015 9.9015 10.6460 10.6460 10.6681 10.6681 10.7274 10.7274 10.7698 10.7698 11.0072 11.0072 11.0387 11.0387 11.3422 11.3422 11.3528 11.3528 11.4291 11.4298 k = 0.2273 0.1312 0.7343 ( 14912 PWs) bands (ev): -0.5789 -0.5789 -0.5788 -0.5788 0.0584 0.0584 0.0620 0.0620 0.0988 0.0988 0.1023 0.1023 1.3750 1.3750 1.3751 1.3751 4.5437 4.5437 4.5551 4.5551 4.9194 4.9194 4.9375 4.9375 5.6806 5.6806 5.6965 5.6965 5.8673 5.8673 5.8929 5.8929 6.3402 6.3402 6.3721 6.3721 6.6308 6.6308 6.6372 6.6372 7.0499 7.0499 7.0668 7.0668 7.2616 7.2616 7.2994 7.2994 7.5747 7.5747 7.5828 7.5828 8.7023 8.7023 8.7429 8.7429 8.7710 8.7710 8.8094 8.8094 9.1264 9.1264 9.1448 9.1448 9.1909 9.1909 9.2085 9.2085 9.4109 9.4109 9.4172 9.4172 9.9038 9.9038 9.9090 9.9090 10.5945 10.5945 10.6192 10.6192 10.6982 10.6982 10.7431 10.7431 11.0074 11.0074 11.0389 11.0389 11.3499 11.3499 11.3541 11.3541 11.4210 11.4214 k = 0.2500 0.1443 0.7343 ( 14906 PWs) bands (ev): -0.5584 -0.5584 -0.5583 -0.5583 0.0413 0.0413 0.0447 0.0447 0.0940 0.0940 0.0973 0.0973 1.3602 1.3602 1.3603 1.3603 4.5375 4.5375 4.5488 4.5488 4.9750 4.9750 4.9943 4.9943 5.6504 5.6504 5.6612 5.6612 5.8995 5.8995 5.9216 5.9216 6.3526 6.3526 6.3920 6.3920 6.6451 6.6451 6.6525 6.6525 7.0136 7.0136 7.0267 7.0267 7.2521 7.2521 7.2909 7.2909 7.5703 7.5703 7.5792 7.5792 8.6986 8.6986 8.7391 8.7391 8.7774 8.7774 8.8158 8.8158 9.1149 9.1149 9.1323 9.1323 9.1943 9.1943 9.2124 9.2124 9.4248 9.4248 9.4314 9.4314 9.9062 9.9062 9.9134 9.9134 10.5451 10.5451 10.5723 10.5723 10.6744 10.6744 10.7211 10.7211 11.0094 11.0094 11.0399 11.0399 11.3179 11.3179 11.3233 11.3233 11.4482 11.4487 k = 0.2727 0.1575 0.7343 ( 14886 PWs) bands (ev): -0.5364 -0.5364 -0.5362 -0.5362 0.0223 0.0223 0.0255 0.0255 0.0894 0.0894 0.0924 0.0924 1.3458 1.3458 1.3459 1.3459 4.5323 4.5323 4.5434 4.5434 5.0325 5.0325 5.0526 5.0526 5.6200 5.6200 5.6269 5.6269 5.9332 5.9332 5.9536 5.9536 6.3623 6.3623 6.4110 6.4110 6.6541 6.6541 6.6633 6.6633 6.9791 6.9791 6.9869 6.9869 7.2429 7.2429 7.2815 7.2815 7.5661 7.5661 7.5755 7.5755 8.6948 8.6948 8.7334 8.7334 8.7850 8.7850 8.8218 8.8218 9.1040 9.1040 9.1198 9.1198 9.2004 9.2004 9.2184 9.2184 9.4388 9.4388 9.4458 9.4458 9.9040 9.9040 9.9137 9.9137 10.5004 10.5004 10.5304 10.5304 10.6564 10.6564 10.7046 10.7046 11.0113 11.0113 11.0395 11.0395 11.2770 11.2770 11.2814 11.2814 11.4783 11.4794 k = 0.2955 0.1706 0.7343 ( 14878 PWs) bands (ev): -0.5130 -0.5130 -0.5127 -0.5127 0.0015 0.0015 0.0045 0.0045 0.0850 0.0850 0.0878 0.0878 1.3321 1.3321 1.3322 1.3322 4.5284 4.5284 4.5390 4.5390 5.0905 5.0905 5.1109 5.1109 5.5928 5.5928 5.5962 5.5962 5.9665 5.9665 5.9864 5.9864 6.3674 6.3674 6.4271 6.4271 6.6579 6.6579 6.6699 6.6699 6.9477 6.9477 6.9491 6.9491 7.2344 7.2344 7.2717 7.2717 7.5624 7.5624 7.5719 7.5719 8.6909 8.6909 8.7266 8.7266 8.7927 8.7927 8.8272 8.8272 9.0941 9.0941 9.1079 9.1079 9.2090 9.2090 9.2267 9.2267 9.4523 9.4523 9.4595 9.4595 9.8967 9.8967 9.9091 9.9091 10.4627 10.4627 10.4954 10.4954 10.6449 10.6449 10.6942 10.6942 11.0111 11.0111 11.0349 11.0349 11.2375 11.2375 11.2376 11.2376 11.4979 11.4998 k = 0.3182 0.1837 0.7343 ( 14888 PWs) bands (ev): -0.4882 -0.4882 -0.4878 -0.4878 -0.0209 -0.0209 -0.0181 -0.0181 0.0808 0.0808 0.0834 0.0834 1.3192 1.3192 1.3194 1.3194 4.5255 4.5255 4.5354 4.5354 5.1469 5.1469 5.1667 5.1667 5.5713 5.5713 5.5715 5.5715 5.9982 5.9982 6.0188 6.0188 6.3653 6.3653 6.4377 6.4377 6.6575 6.6575 6.6735 6.6735 6.9152 6.9152 6.9204 6.9204 7.2269 7.2269 7.2619 7.2619 7.5593 7.5593 7.5687 7.5687 8.6869 8.6869 8.7193 8.7193 8.7998 8.7998 8.8315 8.8315 9.0855 9.0855 9.0971 9.0971 9.2201 9.2201 9.2372 9.2372 9.4642 9.4642 9.4717 9.4717 9.8842 9.8842 9.8992 9.8992 10.4335 10.4335 10.4685 10.4685 10.6400 10.6400 10.6901 10.6901 11.0060 11.0060 11.0228 11.0228 11.1963 11.1963 11.2038 11.2038 11.4855 11.4881 k = 0.3409 0.1968 0.7343 ( 14896 PWs) bands (ev): -0.4622 -0.4622 -0.4618 -0.4618 -0.0449 -0.0449 -0.0423 -0.0423 0.0771 0.0771 0.0793 0.0793 1.3075 1.3075 1.3076 1.3076 4.5236 4.5236 4.5328 4.5328 5.1987 5.1987 5.2166 5.2166 5.5552 5.5552 5.5596 5.5596 6.0275 6.0275 6.0501 6.0501 6.3541 6.3541 6.4389 6.4389 6.6552 6.6552 6.6757 6.6757 6.8870 6.8870 6.8976 6.8976 7.2207 7.2207 7.2524 7.2524 7.5569 7.5569 7.5658 7.5658 8.6830 8.6830 8.7117 8.7117 8.8062 8.8062 8.8346 8.8346 9.0782 9.0782 9.0878 9.0878 9.2335 9.2335 9.2499 9.2499 9.4737 9.4737 9.4813 9.4813 9.8675 9.8675 9.8844 9.8844 10.4137 10.4137 10.4501 10.4501 10.6415 10.6415 10.6918 10.6918 10.9935 10.9935 11.0013 11.0013 11.1607 11.1607 11.1780 11.1780 11.4581 11.4582 k = 0.3636 0.2099 0.7343 ( 14898 PWs) bands (ev): -0.4352 -0.4352 -0.4348 -0.4348 -0.0702 -0.0702 -0.0678 -0.0678 0.0737 0.0737 0.0757 0.0757 1.2970 1.2970 1.2972 1.2972 4.5227 4.5227 4.5309 4.5309 5.2417 5.2417 5.2560 5.2560 5.5516 5.5516 5.5611 5.5611 6.0535 6.0535 6.0796 6.0796 6.3329 6.3329 6.4273 6.4273 6.6546 6.6546 6.6782 6.6782 6.8652 6.8652 6.8791 6.8791 7.2157 7.2157 7.2435 7.2435 7.5552 7.5552 7.5634 7.5634 8.6793 8.6793 8.7040 8.7040 8.8115 8.8115 8.8365 8.8365 9.0725 9.0725 9.0801 9.0801 9.2492 9.2492 9.2646 9.2646 9.4799 9.4799 9.4873 9.4873 9.8482 9.8482 9.8660 9.8660 10.4035 10.4035 10.4399 10.4399 10.6485 10.6485 10.6984 10.6984 10.9724 10.9724 10.9727 10.9727 11.1320 11.1320 11.1582 11.1582 11.4285 11.4286 k = 0.3864 0.2231 0.7343 ( 14880 PWs) bands (ev): -0.4075 -0.4075 -0.4070 -0.4070 -0.0966 -0.0966 -0.0944 -0.0944 0.0708 0.0708 0.0725 0.0725 1.2880 1.2880 1.2881 1.2881 4.5225 4.5225 4.5295 4.5295 5.2716 5.2716 5.2814 5.2814 5.5639 5.5639 5.5787 5.5787 6.0756 6.0756 6.1068 6.1068 6.3026 6.3026 6.4023 6.4023 6.6579 6.6579 6.6817 6.6817 6.8492 6.8492 6.8643 6.8643 7.2120 7.2120 7.2356 7.2356 7.5540 7.5540 7.5613 7.5613 8.6760 8.6760 8.6966 8.6966 8.8159 8.8159 8.8371 8.8371 9.0682 9.0682 9.0741 9.0741 9.2667 9.2667 9.2810 9.2810 9.4821 9.4821 9.4888 9.4888 9.8285 9.8285 9.8461 9.8461 10.4018 10.4018 10.4369 10.4369 10.6593 10.6593 10.7076 10.7076 10.9410 10.9410 10.9466 10.9466 11.1084 11.1084 11.1400 11.1400 11.4022 11.4024 k = 0.4091 0.2362 0.7343 ( 14880 PWs) bands (ev): -0.3793 -0.3793 -0.3787 -0.3787 -0.1237 -0.1237 -0.1218 -0.1218 0.0684 0.0684 0.0697 0.0697 1.2805 1.2805 1.2806 1.2806 4.5229 4.5229 4.5287 4.5287 5.2878 5.2878 5.2935 5.2935 5.5915 5.5915 5.6099 5.6099 6.0932 6.0932 6.1313 6.1313 6.2660 6.2660 6.3674 6.3674 6.6645 6.6645 6.6857 6.6857 6.8383 6.8383 6.8525 6.8525 7.2097 7.2097 7.2287 7.2287 7.5534 7.5534 7.5595 7.5595 8.6733 8.6733 8.6897 8.6897 8.8195 8.8195 8.8366 8.8366 9.0652 9.0652 9.0697 9.0697 9.2858 9.2858 9.2987 9.2987 9.4798 9.4798 9.4853 9.4853 9.8107 9.8107 9.8266 9.8266 10.4073 10.4073 10.4395 10.4395 10.6711 10.6711 10.7161 10.7161 10.9129 10.9129 10.9216 10.9216 11.0863 11.0863 11.1198 11.1198 11.3811 11.3812 k = 0.4318 0.2493 0.7343 ( 14882 PWs) bands (ev): -0.3512 -0.3512 -0.3505 -0.3505 -0.1511 -0.1511 -0.1494 -0.1494 0.0665 0.0665 0.0675 0.0675 1.2745 1.2745 1.2746 1.2746 4.5236 4.5236 4.5280 4.5280 5.2938 5.2938 5.2969 5.2969 5.6288 5.6288 5.6477 5.6477 6.1057 6.1057 6.1520 6.1520 6.2283 6.2283 6.3277 6.3277 6.6724 6.6724 6.6894 6.6894 6.8313 6.8313 6.8432 6.8432 7.2085 7.2085 7.2228 7.2228 7.5533 7.5533 7.5580 7.5580 8.6713 8.6713 8.6836 8.6836 8.8224 8.8224 8.8354 8.8354 9.0633 9.0633 9.0666 9.0666 9.3056 9.3056 9.3166 9.3166 9.4735 9.4735 9.4772 9.4772 9.7965 9.7965 9.8095 9.8095 10.4180 10.4180 10.4455 10.4455 10.6807 10.6807 10.7194 10.7194 10.8934 10.8934 10.9044 10.9044 11.0643 11.0643 11.0962 11.0962 11.3659 11.3660 k = 0.4545 0.2624 0.7343 ( 14886 PWs) bands (ev): -0.3241 -0.3241 -0.3234 -0.3234 -0.1775 -0.1775 -0.1761 -0.1761 0.0652 0.0652 0.0659 0.0659 1.2703 1.2703 1.2703 1.2703 4.5245 4.5245 4.5275 4.5275 5.2948 5.2948 5.2963 5.2963 5.6672 5.6672 5.6831 5.6831 6.1136 6.1136 6.1613 6.1613 6.2021 6.2021 6.2888 6.2888 6.6800 6.6800 6.6917 6.6917 6.8276 6.8276 6.8360 6.8360 7.2084 7.2084 7.2180 7.2180 7.5535 7.5535 7.5567 7.5567 8.6703 8.6703 8.6785 8.6785 8.8249 8.8249 8.8336 8.8336 9.0624 9.0624 9.0644 9.0644 9.3247 9.3247 9.3331 9.3331 9.4645 9.4645 9.4663 9.4663 9.7869 9.7869 9.7960 9.7960 10.4313 10.4313 10.4520 10.4520 10.6863 10.6863 10.7147 10.7147 10.8860 10.8860 10.8980 10.8980 11.0441 11.0441 11.0706 11.0706 11.3561 11.3562 k = 0.4773 0.2756 0.7343 ( 14884 PWs) bands (ev): -0.3010 -0.3010 -0.3003 -0.3003 -0.2001 -0.2001 -0.1991 -0.1991 0.0645 0.0645 0.0649 0.0649 1.2677 1.2677 1.2677 1.2677 4.5254 4.5254 4.5269 4.5269 5.2941 5.2941 5.2948 5.2948 5.6980 5.6980 5.7073 5.7073 6.1194 6.1194 6.1454 6.1454 6.2082 6.2082 6.2550 6.2550 6.6861 6.6861 6.6921 6.6921 6.8265 6.8265 6.8309 6.8309 7.2094 7.2094 7.2142 7.2142 7.5540 7.5540 7.5556 7.5556 8.6704 8.6704 8.6745 8.6745 8.8272 8.8272 8.8316 8.8316 9.0621 9.0621 9.0631 9.0631 9.3404 9.3404 9.3452 9.3452 9.4557 9.4557 9.4561 9.4561 9.7821 9.7821 9.7868 9.7868 10.4441 10.4441 10.4554 10.4554 10.6897 10.6897 10.7047 10.7047 10.8890 10.8890 10.8979 10.8979 11.0311 11.0311 11.0471 11.0471 11.3510 11.3510 k = 0.5000 0.2887 0.7343 ( 14872 PWs) bands (ev): -0.2900 -0.2900 -0.2900 -0.2900 -0.2102 -0.2102 -0.2102 -0.2102 0.0644 0.0644 0.0644 0.0644 1.2668 1.2668 1.2668 1.2668 4.5262 4.5262 4.5262 4.5262 5.2939 5.2939 5.2939 5.2939 5.7129 5.7129 5.7129 5.7129 6.1284 6.1284 6.1284 6.1284 6.2282 6.2282 6.2282 6.2282 6.6903 6.6903 6.6903 6.6903 6.8277 6.8277 6.8277 6.8277 7.2113 7.2113 7.2113 7.2113 7.5547 7.5547 7.5547 7.5547 8.6718 8.6718 8.6718 8.6718 8.8295 8.8295 8.8295 8.8295 9.0623 9.0623 9.0623 9.0623 9.3483 9.3483 9.3483 9.3483 9.4518 9.4518 9.4518 9.4518 9.7821 9.7821 9.7821 9.7821 10.4528 10.4528 10.4528 10.4528 10.6953 10.6953 10.6953 10.6953 10.8954 10.8954 10.8954 10.8954 11.0319 11.0319 11.0319 11.0319 11.3494 11.3494 k = 0.5000 0.2887 0.7343 ( 14872 PWs) bands (ev): -0.2900 -0.2900 -0.2900 -0.2900 -0.2102 -0.2102 -0.2102 -0.2102 0.0644 0.0644 0.0644 0.0644 1.2668 1.2668 1.2668 1.2668 4.5262 4.5262 4.5262 4.5262 5.2939 5.2939 5.2939 5.2939 5.7129 5.7129 5.7129 5.7129 6.1284 6.1284 6.1284 6.1284 6.2282 6.2282 6.2282 6.2282 6.6903 6.6903 6.6903 6.6903 6.8277 6.8277 6.8277 6.8277 7.2113 7.2113 7.2113 7.2113 7.5547 7.5547 7.5547 7.5547 8.6718 8.6718 8.6718 8.6718 8.8295 8.8295 8.8295 8.8295 9.0623 9.0623 9.0623 9.0623 9.3483 9.3483 9.3483 9.3483 9.4518 9.4518 9.4518 9.4518 9.7821 9.7821 9.7821 9.7821 10.4528 10.4528 10.4528 10.4528 10.6953 10.6953 10.6953 10.6953 10.8954 10.8954 10.8954 10.8954 11.0319 11.0319 11.0319 11.0319 11.3494 11.3494 k = 0.4872 0.3109 0.7343 ( 14892 PWs) bands (ev): -0.2893 -0.2893 -0.2893 -0.2893 -0.2096 -0.2096 -0.2096 -0.2096 0.0630 0.0630 0.0630 0.0630 1.2666 1.2666 1.2666 1.2666 4.5286 4.5286 4.5286 4.5286 5.2888 5.2888 5.2888 5.2888 5.7131 5.7131 5.7131 5.7131 6.1320 6.1320 6.1320 6.1320 6.2311 6.2311 6.2311 6.2311 6.6890 6.6890 6.6890 6.6890 6.8287 6.8287 6.8287 6.8287 7.2101 7.2101 7.2101 7.2101 7.5525 7.5525 7.5525 7.5525 8.6730 8.6730 8.6730 8.6730 8.8287 8.8287 8.8287 8.8287 9.0635 9.0635 9.0635 9.0635 9.3489 9.3489 9.3489 9.3489 9.4500 9.4500 9.4500 9.4500 9.7787 9.7787 9.7787 9.7787 10.4563 10.4563 10.4563 10.4563 10.6979 10.6979 10.6979 10.6979 10.8964 10.8964 10.8964 10.8964 11.0326 11.0326 11.0326 11.0326 11.3469 11.3469 k = 0.4744 0.3331 0.7343 ( 14882 PWs) bands (ev): -0.2871 -0.2871 -0.2871 -0.2871 -0.2079 -0.2079 -0.2079 -0.2079 0.0587 0.0587 0.0587 0.0587 1.2658 1.2658 1.2658 1.2658 4.5356 4.5356 4.5356 4.5356 5.2739 5.2739 5.2739 5.2739 5.7137 5.7137 5.7137 5.7137 6.1419 6.1419 6.1419 6.1419 6.2397 6.2397 6.2397 6.2397 6.6853 6.6853 6.6853 6.6853 6.8315 6.8315 6.8315 6.8315 7.2064 7.2064 7.2064 7.2064 7.5460 7.5460 7.5460 7.5460 8.6765 8.6765 8.6765 8.6765 8.8265 8.8265 8.8265 8.8265 9.0671 9.0671 9.0671 9.0671 9.3509 9.3509 9.3509 9.3509 9.4448 9.4448 9.4448 9.4448 9.7688 9.7688 9.7688 9.7689 10.4666 10.4666 10.4666 10.4666 10.7054 10.7054 10.7054 10.7054 10.8993 10.8993 10.8993 10.8993 11.0347 11.0347 11.0347 11.0347 11.3395 11.3395 k = 0.4615 0.3553 0.7343 ( 14878 PWs) bands (ev): -0.2835 -0.2835 -0.2835 -0.2835 -0.2052 -0.2052 -0.2052 -0.2052 0.0517 0.0517 0.0517 0.0517 1.2646 1.2646 1.2646 1.2646 4.5471 4.5471 4.5471 4.5471 5.2504 5.2504 5.2504 5.2504 5.7147 5.7147 5.7147 5.7147 6.1567 6.1567 6.1567 6.1567 6.2541 6.2541 6.2541 6.2541 6.6797 6.6797 6.6797 6.6797 6.8358 6.8358 6.8358 6.8358 7.1999 7.1999 7.1999 7.1999 7.5358 7.5358 7.5358 7.5358 8.6820 8.6820 8.6820 8.6820 8.8230 8.8230 8.8230 8.8230 9.0731 9.0731 9.0731 9.0731 9.3538 9.3538 9.3538 9.3538 9.4365 9.4365 9.4365 9.4365 9.7536 9.7536 9.7536 9.7536 10.4831 10.4831 10.4831 10.4831 10.7175 10.7175 10.7175 10.7175 10.9034 10.9034 10.9034 10.9034 11.0382 11.0382 11.0382 11.0382 11.3273 11.3273 k = 0.4487 0.3775 0.7343 ( 14890 PWs) bands (ev): -0.2784 -0.2784 -0.2784 -0.2784 -0.2014 -0.2014 -0.2014 -0.2014 0.0420 0.0420 0.0420 0.0420 1.2630 1.2630 1.2630 1.2630 4.5630 4.5630 4.5630 4.5630 5.2199 5.2199 5.2199 5.2199 5.7162 5.7162 5.7162 5.7162 6.1741 6.1741 6.1741 6.1741 6.2738 6.2738 6.2738 6.2738 6.6732 6.6732 6.6732 6.6732 6.8413 6.8413 6.8413 6.8413 7.1904 7.1904 7.1904 7.1904 7.5229 7.5229 7.5229 7.5229 8.6892 8.6892 8.6892 8.6892 8.8183 8.8183 8.8183 8.8183 9.0813 9.0813 9.0813 9.0813 9.3576 9.3576 9.3576 9.3576 9.4255 9.4255 9.4255 9.4255 9.7342 9.7342 9.7342 9.7342 10.5049 10.5049 10.5049 10.5049 10.7334 10.7334 10.7334 10.7334 10.9080 10.9080 10.9080 10.9080 11.0430 11.0430 11.0430 11.0430 11.3108 11.3108 k = 0.4359 0.3997 0.7343 ( 14878 PWs) bands (ev): -0.2720 -0.2720 -0.2720 -0.2720 -0.1965 -0.1965 -0.1965 -0.1965 0.0297 0.0297 0.0297 0.0297 1.2611 1.2611 1.2611 1.2611 4.5829 4.5829 4.5829 4.5829 5.1841 5.1841 5.1841 5.1841 5.7184 5.7184 5.7184 5.7184 6.1928 6.1928 6.1928 6.1928 6.2975 6.2975 6.2975 6.2975 6.6666 6.6666 6.6666 6.6666 6.8476 6.8476 6.8476 6.8476 7.1775 7.1775 7.1775 7.1775 7.5084 7.5084 7.5084 7.5084 8.6974 8.6974 8.6974 8.6974 8.8125 8.8125 8.8125 8.8125 9.0918 9.0918 9.0918 9.0918 9.3614 9.3614 9.3614 9.3614 9.4125 9.4125 9.4125 9.4125 9.7124 9.7124 9.7124 9.7124 10.5313 10.5313 10.5313 10.5313 10.7524 10.7524 10.7524 10.7524 10.9120 10.9120 10.9120 10.9120 11.0490 11.0490 11.0490 11.0490 11.2904 11.2904 k = 0.4231 0.4219 0.7343 ( 14882 PWs) bands (ev): -0.2644 -0.2644 -0.2644 -0.2644 -0.1906 -0.1906 -0.1906 -0.1906 0.0150 0.0150 0.0150 0.0150 1.2589 1.2589 1.2589 1.2589 4.6066 4.6066 4.6066 4.6066 5.1446 5.1446 5.1446 5.1446 5.7214 5.7214 5.7214 5.7214 6.2119 6.2119 6.2119 6.2119 6.3228 6.3228 6.3228 6.3228 6.6612 6.6612 6.6612 6.6612 6.8546 6.8546 6.8546 6.8546 7.1608 7.1608 7.1608 7.1608 7.4935 7.4935 7.4935 7.4935 8.7063 8.7063 8.7063 8.7063 8.8060 8.8060 8.8060 8.8060 9.1045 9.1045 9.1045 9.1045 9.3644 9.3644 9.3644 9.3644 9.3985 9.3985 9.3985 9.3985 9.6899 9.6899 9.6899 9.6899 10.5614 10.5614 10.5614 10.5614 10.7733 10.7733 10.7733 10.7733 10.9142 10.9142 10.9142 10.9142 11.0556 11.0556 11.0556 11.0556 11.2671 11.2671 k = 0.4103 0.4441 0.7343 ( 14878 PWs) bands (ev): -0.2555 -0.2555 -0.2555 -0.2555 -0.1837 -0.1837 -0.1837 -0.1837 -0.0020 -0.0020 -0.0020 -0.0020 1.2567 1.2567 1.2567 1.2567 4.6338 4.6338 4.6338 4.6338 5.1027 5.1027 5.1027 5.1027 5.7251 5.7251 5.7251 5.7251 6.2310 6.2310 6.2310 6.2310 6.3467 6.3467 6.3467 6.3467 6.6581 6.6581 6.6581 6.6581 6.8623 6.8623 6.8623 6.8623 7.1403 7.1403 7.1403 7.1403 7.4795 7.4795 7.4795 7.4795 8.7152 8.7152 8.7152 8.7152 8.7989 8.7989 8.7989 8.7989 9.1192 9.1192 9.1192 9.1192 9.3637 9.3637 9.3637 9.3637 9.3861 9.3861 9.3861 9.3861 9.6683 9.6683 9.6683 9.6683 10.5946 10.5946 10.5946 10.5946 10.7950 10.7950 10.7950 10.7950 10.9136 10.9136 10.9136 10.9136 11.0621 11.0621 11.0621 11.0621 11.2425 11.2425 k = 0.3974 0.4663 0.7343 ( 14898 PWs) bands (ev): -0.2455 -0.2455 -0.2455 -0.2455 -0.1758 -0.1758 -0.1758 -0.1758 -0.0210 -0.0210 -0.0210 -0.0210 1.2544 1.2544 1.2544 1.2544 4.6639 4.6639 4.6639 4.6639 5.0595 5.0595 5.0595 5.0595 5.7296 5.7296 5.7296 5.7296 6.2499 6.2499 6.2499 6.2499 6.3661 6.3661 6.3661 6.3661 6.6584 6.6584 6.6584 6.6584 6.8710 6.8710 6.8710 6.8710 7.1163 7.1163 7.1163 7.1163 7.4671 7.4671 7.4671 7.4671 8.7239 8.7239 8.7239 8.7239 8.7916 8.7916 8.7916 8.7916 9.1358 9.1358 9.1358 9.1358 9.3552 9.3552 9.3552 9.3552 9.3791 9.3791 9.3791 9.3791 9.6493 9.6493 9.6493 9.6493 10.6301 10.6301 10.6301 10.6301 10.8161 10.8161 10.8161 10.8161 10.9098 10.9098 10.9098 10.9098 11.0664 11.0664 11.0664 11.0664 11.2191 11.2191 k = 0.3846 0.4885 0.7343 ( 14892 PWs) bands (ev): -0.2347 -0.2347 -0.2347 -0.2347 -0.1671 -0.1671 -0.1671 -0.1671 -0.0417 -0.0417 -0.0417 -0.0417 1.2523 1.2523 1.2523 1.2523 4.6964 4.6964 4.6964 4.6964 5.0160 5.0160 5.0160 5.0160 5.7346 5.7346 5.7346 5.7346 6.2684 6.2684 6.2684 6.2684 6.3788 6.3788 6.3788 6.3788 6.6624 6.6624 6.6624 6.6624 6.8811 6.8811 6.8811 6.8811 7.0896 7.0896 7.0896 7.0896 7.4571 7.4571 7.4571 7.4571 8.7318 8.7318 8.7318 8.7318 8.7844 8.7844 8.7844 8.7844 9.1538 9.1538 9.1538 9.1538 9.3416 9.3416 9.3416 9.3416 9.3748 9.3748 9.3748 9.3748 9.6341 9.6341 9.6341 9.6341 10.6672 10.6672 10.6672 10.6672 10.8347 10.8347 10.8347 10.8347 10.9031 10.9031 10.9031 10.9031 11.0650 11.0650 11.0650 11.0650 11.2015 11.2015 k = 0.3718 0.5107 0.7343 ( 14894 PWs) bands (ev): -0.2233 -0.2233 -0.2233 -0.2233 -0.1575 -0.1575 -0.1575 -0.1575 -0.0636 -0.0636 -0.0636 -0.0636 1.2504 1.2504 1.2504 1.2504 4.7309 4.7309 4.7309 4.7309 4.9730 4.9730 4.9730 4.9730 5.7398 5.7398 5.7398 5.7398 6.2860 6.2860 6.2860 6.2860 6.3839 6.3839 6.3839 6.3839 6.6692 6.6692 6.6692 6.6692 6.8931 6.8931 6.8931 6.8931 7.0617 7.0617 7.0617 7.0617 7.4495 7.4495 7.4495 7.4495 8.7386 8.7386 8.7386 8.7386 8.7778 8.7778 8.7778 8.7778 9.1725 9.1725 9.1725 9.1725 9.3278 9.3278 9.3278 9.3278 9.3687 9.3687 9.3687 9.3687 9.6234 9.6234 9.6234 9.6234 10.7049 10.7049 10.7049 10.7049 10.8478 10.8478 10.8478 10.8478 10.8958 10.8958 10.8958 10.8958 11.0545 11.0545 11.0545 11.0545 11.1943 11.1943 k = 0.3590 0.5329 0.7343 ( 14902 PWs) bands (ev): -0.2119 -0.2119 -0.2119 -0.2119 -0.1471 -0.1471 -0.1471 -0.1471 -0.0861 -0.0861 -0.0861 -0.0861 1.2489 1.2489 1.2489 1.2489 4.7665 4.7665 4.7665 4.7665 4.9313 4.9313 4.9313 4.9313 5.7446 5.7446 5.7446 5.7446 6.3021 6.3021 6.3021 6.3021 6.3825 6.3825 6.3825 6.3825 6.6766 6.6766 6.6766 6.6766 6.9069 6.9069 6.9069 6.9069 7.0347 7.0347 7.0347 7.0347 7.4443 7.4443 7.4443 7.4443 8.7440 8.7440 8.7440 8.7440 8.7723 8.7723 8.7723 8.7723 9.1902 9.1902 9.1902 9.1902 9.3170 9.3170 9.3170 9.3170 9.3598 9.3598 9.3598 9.3598 9.6171 9.6171 9.6171 9.6171 10.7414 10.7414 10.7414 10.7414 10.8522 10.8522 10.8522 10.8522 10.8907 10.8907 10.8907 10.8907 11.0373 11.0373 11.0373 11.0373 11.1975 11.1975 k = 0.3462 0.5551 0.7343 ( 14894 PWs) bands (ev): -0.2020 -0.2020 -0.2020 -0.2020 -0.1361 -0.1361 -0.1361 -0.1361 -0.1076 -0.1076 -0.1076 -0.1076 1.2480 1.2480 1.2480 1.2480 4.8014 4.8014 4.8014 4.8014 4.8929 4.8929 4.8929 4.8929 5.7482 5.7482 5.7482 5.7482 6.3151 6.3151 6.3151 6.3151 6.3772 6.3772 6.3772 6.3772 6.6821 6.6821 6.6821 6.6821 6.9203 6.9203 6.9203 6.9203 7.0126 7.0126 7.0126 7.0126 7.4414 7.4414 7.4414 7.4414 8.7474 8.7474 8.7474 8.7474 8.7686 8.7686 8.7686 8.7686 9.2033 9.2033 9.2033 9.2033 9.3123 9.3123 9.3123 9.3123 9.3491 9.3491 9.3491 9.3491 9.6144 9.6144 9.6144 9.6144 10.7711 10.7711 10.7711 10.7711 10.8527 10.8527 10.8527 10.8527 10.8840 10.8840 10.8840 10.8840 11.0215 11.0215 11.0215 11.0215 11.2061 11.2061 k = 0.3333 0.5774 0.7343 ( 14886 PWs) bands (ev): -0.1972 -0.1972 -0.1972 -0.1972 -0.1255 -0.1255 -0.1255 -0.1255 -0.1231 -0.1231 -0.1231 -0.1231 1.2476 1.2476 1.2476 1.2476 4.8232 4.8232 4.8232 4.8232 4.8700 4.8700 4.8700 4.8700 5.7496 5.7496 5.7496 5.7496 6.3209 6.3209 6.3209 6.3209 6.3736 6.3736 6.3736 6.3736 6.6841 6.6841 6.6841 6.6841 6.9268 6.9268 6.9268 6.9268 7.0032 7.0032 7.0032 7.0032 7.4405 7.4405 7.4405 7.4405 8.7484 8.7484 8.7484 8.7484 8.7675 8.7675 8.7675 8.7675 9.2080 9.2080 9.2080 9.2080 9.3136 9.3136 9.3136 9.3136 9.3422 9.3422 9.3422 9.3422 9.6138 9.6138 9.6138 9.6138 10.7825 10.7825 10.7825 10.7825 10.8647 10.8647 10.8647 10.8647 10.8685 10.8685 10.8685 10.8685 11.0156 11.0156 11.0156 11.0156 11.2116 11.2116 k = 0.3333 0.5774 0.7343 ( 14886 PWs) bands (ev): -0.1972 -0.1972 -0.1972 -0.1972 -0.1255 -0.1255 -0.1255 -0.1255 -0.1231 -0.1231 -0.1231 -0.1231 1.2476 1.2476 1.2476 1.2476 4.8232 4.8232 4.8232 4.8232 4.8700 4.8700 4.8700 4.8700 5.7496 5.7496 5.7496 5.7496 6.3209 6.3209 6.3209 6.3209 6.3736 6.3736 6.3736 6.3736 6.6841 6.6841 6.6841 6.6841 6.9268 6.9268 6.9268 6.9268 7.0032 7.0032 7.0032 7.0032 7.4405 7.4405 7.4405 7.4405 8.7484 8.7484 8.7484 8.7484 8.7675 8.7675 8.7675 8.7675 9.2080 9.2080 9.2080 9.2080 9.3136 9.3136 9.3136 9.3136 9.3422 9.3422 9.3422 9.3422 9.6138 9.6138 9.6138 9.6138 10.7825 10.7825 10.7825 10.7825 10.8647 10.8647 10.8647 10.8647 10.8685 10.8685 10.8685 10.8685 11.0156 11.0156 11.0156 11.0156 11.2116 11.2116 k = 0.3200 0.5543 0.7343 ( 14886 PWs) bands (ev): -0.2046 -0.2046 -0.2046 -0.2046 -0.1296 -0.1296 -0.1296 -0.1296 -0.1114 -0.1114 -0.1114 -0.1114 1.2480 1.2480 1.2480 1.2480 4.8009 4.8009 4.8009 4.8009 4.8935 4.8935 4.8935 4.8935 5.7476 5.7476 5.7476 5.7476 6.3138 6.3138 6.3138 6.3138 6.3788 6.3788 6.3788 6.3788 6.6819 6.6819 6.6819 6.6819 6.9200 6.9200 6.9200 6.9200 7.0131 7.0131 7.0131 7.0131 7.4414 7.4414 7.4414 7.4414 8.7478 8.7478 8.7478 8.7478 8.7683 8.7683 8.7683 8.7683 9.2039 9.2039 9.2039 9.2039 9.3066 9.3066 9.3066 9.3066 9.3547 9.3547 9.3547 9.3547 9.6139 9.6139 9.6139 9.6139 10.7744 10.7744 10.7744 10.7744 10.8365 10.8365 10.8365 10.8365 10.8984 10.8984 10.8984 10.8984 11.0209 11.0209 11.0209 11.0209 11.2060 11.2060 k = 0.3067 0.5312 0.7343 ( 14894 PWs) bands (ev): -0.2247 -0.2247 -0.2247 -0.2247 -0.1222 -0.1222 -0.1222 -0.1222 -0.0981 -0.0981 -0.0981 -0.0981 1.2494 1.2494 1.2494 1.2494 4.7668 4.7668 4.7668 4.7668 4.9308 4.9308 4.9308 4.9308 5.7408 5.7408 5.7408 5.7408 6.2964 6.2964 6.2964 6.2964 6.3917 6.3917 6.3917 6.3917 6.6756 6.6756 6.6756 6.6756 6.9066 6.9066 6.9066 6.9066 7.0355 7.0355 7.0355 7.0355 7.4440 7.4440 7.4440 7.4440 8.7470 8.7470 8.7470 8.7470 8.7699 8.7699 8.7699 8.7699 9.1945 9.1945 9.1945 9.1945 9.2919 9.2919 9.2919 9.2919 9.3839 9.3839 9.3839 9.3839 9.6135 9.6135 9.6135 9.6135 10.7566 10.7566 10.7566 10.7566 10.8013 10.8013 10.8013 10.8013 10.9368 10.9368 10.9368 10.9368 11.0333 11.0333 11.0333 11.0333 11.1968 11.1968 k = 0.2933 0.5081 0.7343 ( 14902 PWs) bands (ev): -0.2510 -0.2510 -0.2510 -0.2510 -0.1088 -0.1088 -0.1088 -0.1088 -0.0843 -0.0843 -0.0843 -0.0843 1.2517 1.2517 1.2517 1.2517 4.7336 4.7336 4.7336 4.7336 4.9692 4.9692 4.9692 4.9692 5.7281 5.7281 5.7281 5.7281 6.2736 6.2736 6.2736 6.2736 6.4089 6.4089 6.4089 6.4089 6.6659 6.6659 6.6659 6.6659 6.8937 6.8937 6.8937 6.8937 7.0622 7.0622 7.0622 7.0622 7.4481 7.4481 7.4481 7.4481 8.7468 8.7468 8.7468 8.7468 8.7715 8.7715 8.7715 8.7715 9.1831 9.1831 9.1831 9.1831 9.2756 9.2756 9.2756 9.2756 9.4208 9.4208 9.4208 9.4208 9.6116 9.6116 9.6116 9.6116 10.7295 10.7295 10.7295 10.7295 10.7708 10.7708 10.7708 10.7708 10.9765 10.9765 10.9765 10.9765 11.0492 11.0492 11.0492 11.0492 11.1892 11.1892 k = 0.2800 0.4850 0.7343 ( 14902 PWs) bands (ev): -0.2797 -0.2797 -0.2797 -0.2797 -0.0928 -0.0928 -0.0928 -0.0928 -0.0702 -0.0702 -0.0702 -0.0702 1.2552 1.2552 1.2552 1.2552 4.7026 4.7026 4.7026 4.7026 5.0066 5.0066 5.0066 5.0066 5.7093 5.7093 5.7093 5.7093 6.2477 6.2477 6.2477 6.2477 6.4291 6.4291 6.4291 6.4291 6.6536 6.6536 6.6536 6.6536 6.8839 6.8839 6.8839 6.8839 7.0897 7.0897 7.0897 7.0897 7.4536 7.4536 7.4536 7.4536 8.7474 8.7474 8.7474 8.7474 8.7730 8.7730 8.7730 8.7730 9.1715 9.1715 9.1715 9.1715 9.2595 9.2595 9.2595 9.2595 9.4621 9.4621 9.4621 9.4621 9.6079 9.6079 9.6079 9.6079 10.6922 10.6922 10.6922 10.6922 10.7505 10.7505 10.7505 10.7505 11.0156 11.0156 11.0156 11.0156 11.0670 11.0670 11.0670 11.0670 11.1848 11.1848 k = 0.2667 0.4619 0.7343 ( 14884 PWs) bands (ev): -0.3094 -0.3094 -0.3094 -0.3094 -0.0758 -0.0758 -0.0758 -0.0758 -0.0558 -0.0558 -0.0558 -0.0558 1.2599 1.2599 1.2599 1.2599 4.6744 4.6744 4.6744 4.6744 5.0417 5.0417 5.0417 5.0417 5.6849 5.6849 5.6849 5.6849 6.2195 6.2195 6.2195 6.2195 6.4517 6.4517 6.4517 6.4517 6.6393 6.6393 6.6393 6.6393 6.8778 6.8778 6.8778 6.8778 7.1165 7.1165 7.1165 7.1165 7.4604 7.4604 7.4604 7.4604 8.7486 8.7486 8.7486 8.7486 8.7744 8.7744 8.7744 8.7744 9.1607 9.1607 9.1607 9.1607 9.2441 9.2441 9.2441 9.2441 9.5051 9.5051 9.5051 9.5051 9.6035 9.6035 9.6035 9.6035 10.6512 10.6512 10.6512 10.6512 10.7364 10.7364 10.7364 10.7364 11.0528 11.0528 11.0528 11.0528 11.0863 11.0863 11.0863 11.0863 11.1837 11.1837 k = 0.2533 0.4388 0.7343 ( 14860 PWs) bands (ev): -0.3394 -0.3394 -0.3394 -0.3394 -0.0583 -0.0583 -0.0583 -0.0583 -0.0413 -0.0413 -0.0413 -0.0413 1.2659 1.2659 1.2659 1.2659 4.6491 4.6491 4.6491 4.6491 5.0732 5.0732 5.0732 5.0732 5.6568 5.6568 5.6568 5.6568 6.1897 6.1897 6.1897 6.1897 6.4753 6.4753 6.4753 6.4753 6.6242 6.6242 6.6242 6.6242 6.8754 6.8754 6.8754 6.8754 7.1419 7.1419 7.1419 7.1419 7.4683 7.4683 7.4683 7.4683 8.7499 8.7499 8.7499 8.7499 8.7757 8.7757 8.7757 8.7757 9.1512 9.1512 9.1512 9.1512 9.2298 9.2298 9.2298 9.2298 9.5423 9.5423 9.5423 9.5423 9.6046 9.6046 9.6046 9.6046 10.6109 10.6109 10.6109 10.6109 10.7258 10.7258 10.7258 10.7258 11.0845 11.0845 11.0845 11.0845 11.1096 11.1096 11.1096 11.1096 11.1861 11.1861 k = 0.2400 0.4157 0.7343 ( 14868 PWs) bands (ev): -0.3692 -0.3692 -0.3692 -0.3692 -0.0408 -0.0408 -0.0408 -0.0408 -0.0268 -0.0268 -0.0268 -0.0268 1.2732 1.2732 1.2732 1.2732 4.6269 4.6269 4.6269 4.6269 5.0990 5.0990 5.0990 5.0990 5.6276 5.6276 5.6276 5.6276 6.1585 6.1585 6.1585 6.1585 6.4968 6.4968 6.4968 6.4968 6.6109 6.6109 6.6109 6.6109 6.8768 6.8768 6.8768 6.8768 7.1653 7.1653 7.1653 7.1653 7.4773 7.4773 7.4773 7.4773 8.7510 8.7510 8.7510 8.7510 8.7773 8.7773 8.7773 8.7773 9.1435 9.1435 9.1435 9.1435 9.2168 9.2168 9.2168 9.2168 9.5543 9.5543 9.5543 9.5543 9.6302 9.6302 9.6302 9.6302 10.5733 10.5733 10.5733 10.5733 10.7181 10.7181 10.7181 10.7181 11.1059 11.1059 11.1059 11.1059 11.1396 11.1396 11.1397 11.1397 11.1923 11.1923 k = 0.2267 0.3926 0.7343 ( 14876 PWs) bands (ev): -0.3987 -0.3987 -0.3987 -0.3987 -0.0235 -0.0235 -0.0235 -0.0235 -0.0123 -0.0123 -0.0123 -0.0123 1.2817 1.2817 1.2817 1.2817 4.6079 4.6079 4.6079 4.6079 5.1166 5.1166 5.1166 5.1166 5.6013 5.6013 5.6013 5.6013 6.1260 6.1260 6.1260 6.1260 6.5090 6.5090 6.5090 6.5090 6.6053 6.6053 6.6053 6.6053 6.8820 6.8820 6.8820 6.8820 7.1867 7.1867 7.1867 7.1867 7.4873 7.4873 7.4873 7.4873 8.7513 8.7513 8.7513 8.7513 8.7791 8.7791 8.7791 8.7791 9.1378 9.1378 9.1378 9.1378 9.2053 9.2053 9.2053 9.2053 9.5456 9.5456 9.5456 9.5456 9.6747 9.6747 9.6747 9.6747 10.5402 10.5402 10.5402 10.5402 10.7131 10.7131 10.7131 10.7131 11.1200 11.1200 11.1200 11.1200 11.1667 11.1667 11.1667 11.1667 11.2079 11.2079 k = 0.2133 0.3695 0.7343 ( 14884 PWs) bands (ev): -0.4274 -0.4274 -0.4274 -0.4274 -0.0066 -0.0066 -0.0066 -0.0066 0.0020 0.0020 0.0020 0.0020 1.2916 1.2916 1.2916 1.2916 4.5920 4.5920 4.5920 4.5920 5.1228 5.1228 5.1228 5.1228 5.5825 5.5825 5.5825 5.5825 6.0924 6.0924 6.0924 6.0924 6.5053 6.5053 6.5053 6.5053 6.6123 6.6123 6.6123 6.6123 6.8915 6.8915 6.8915 6.8915 7.2060 7.2060 7.2060 7.2060 7.4981 7.4981 7.4981 7.4981 8.7506 8.7506 8.7506 8.7506 8.7810 8.7810 8.7810 8.7810 9.1342 9.1342 9.1342 9.1342 9.1956 9.1956 9.1956 9.1956 9.5305 9.5305 9.5305 9.5305 9.7229 9.7229 9.7229 9.7229 10.5131 10.5131 10.5131 10.5131 10.7111 10.7111 10.7111 10.7111 11.1297 11.1297 11.1297 11.1297 11.1794 11.1794 11.1794 11.1794 11.2402 11.2402 k = 0.2000 0.3464 0.7343 ( 14876 PWs) bands (ev): -0.4553 -0.4553 -0.4553 -0.4553 0.0096 0.0096 0.0096 0.0096 0.0162 0.0162 0.0162 0.0162 1.3027 1.3027 1.3027 1.3027 4.5793 4.5793 4.5793 4.5793 5.1151 5.1151 5.1151 5.1151 5.5749 5.5749 5.5749 5.5749 6.0577 6.0577 6.0577 6.0577 6.4890 6.4890 6.4890 6.4890 6.6270 6.6270 6.6270 6.6270 6.9059 6.9059 6.9059 6.9059 7.2233 7.2233 7.2233 7.2233 7.5095 7.5095 7.5095 7.5095 8.7490 8.7490 8.7490 8.7490 8.7828 8.7828 8.7828 8.7828 9.1328 9.1328 9.1328 9.1328 9.1879 9.1879 9.1879 9.1879 9.5129 9.5129 9.5129 9.5129 9.7695 9.7695 9.7695 9.7695 10.4940 10.4940 10.4940 10.4940 10.7121 10.7121 10.7121 10.7121 11.1357 11.1357 11.1357 11.1357 11.1834 11.1834 11.1834 11.1834 11.2817 11.2817 k = 0.1867 0.3233 0.7343 ( 14880 PWs) bands (ev): -0.4821 -0.4821 -0.4821 -0.4821 0.0251 0.0251 0.0251 0.0251 0.0300 0.0300 0.0300 0.0300 1.3150 1.3150 1.3150 1.3150 4.5697 4.5697 4.5697 4.5697 5.0932 5.0932 5.0932 5.0932 5.5801 5.5801 5.5801 5.5801 6.0223 6.0223 6.0223 6.0223 6.4668 6.4668 6.4668 6.4668 6.6409 6.6409 6.6409 6.6409 6.9259 6.9259 6.9259 6.9259 7.2387 7.2387 7.2387 7.2387 7.5213 7.5213 7.5213 7.5213 8.7465 8.7465 8.7465 8.7465 8.7842 8.7842 8.7842 8.7842 9.1333 9.1333 9.1333 9.1333 9.1822 9.1822 9.1822 9.1822 9.4941 9.4941 9.4941 9.4941 9.8114 9.8114 9.8114 9.8114 10.4849 10.4849 10.4849 10.4849 10.7164 10.7164 10.7164 10.7164 11.1390 11.1390 11.1390 11.1390 11.1831 11.1831 11.1831 11.1831 11.3265 11.3265 k = 0.1733 0.3002 0.7343 ( 14876 PWs) bands (ev): -0.5076 -0.5076 -0.5076 -0.5076 0.0395 0.0395 0.0395 0.0395 0.0436 0.0436 0.0436 0.0436 1.3283 1.3283 1.3283 1.3283 4.5631 4.5631 4.5631 4.5631 5.0594 5.0594 5.0594 5.0594 5.5968 5.5968 5.5968 5.5968 5.9863 5.9863 5.9863 5.9863 6.4424 6.4424 6.4424 6.4424 6.6495 6.6495 6.6495 6.6495 6.9516 6.9516 6.9516 6.9516 7.2523 7.2523 7.2523 7.2523 7.5333 7.5333 7.5333 7.5333 8.7434 8.7434 8.7434 8.7434 8.7850 8.7850 8.7850 8.7850 9.1357 9.1357 9.1357 9.1357 9.1788 9.1788 9.1788 9.1788 9.4749 9.4749 9.4749 9.4749 9.8461 9.8461 9.8461 9.8461 10.4876 10.4876 10.4876 10.4876 10.7240 10.7240 10.7240 10.7240 11.1403 11.1403 11.1403 11.1403 11.1796 11.1796 11.1796 11.1796 11.3713 11.3714 k = 0.1600 0.2771 0.7343 ( 14878 PWs) bands (ev): -0.5318 -0.5318 -0.5318 -0.5318 0.0528 0.0528 0.0528 0.0528 0.0566 0.0566 0.0566 0.0566 1.3425 1.3425 1.3425 1.3425 4.5593 4.5593 4.5593 4.5593 5.0173 5.0173 5.0173 5.0173 5.6221 5.6221 5.6221 5.6221 5.9503 5.9503 5.9503 5.9503 6.4175 6.4175 6.4175 6.4175 6.6510 6.6510 6.6510 6.6510 6.9824 6.9824 6.9824 6.9824 7.2644 7.2644 7.2644 7.2644 7.5450 7.5450 7.5450 7.5450 8.7399 8.7399 8.7399 8.7399 8.7853 8.7853 8.7853 8.7853 9.1396 9.1396 9.1396 9.1396 9.1776 9.1776 9.1776 9.1776 9.4559 9.4559 9.4559 9.4559 9.8715 9.8715 9.8715 9.8715 10.5035 10.5035 10.5035 10.5035 10.7346 10.7346 10.7346 10.7346 11.1406 11.1406 11.1406 11.1406 11.1739 11.1739 11.1739 11.1739 11.4109 11.4110 k = 0.1467 0.2540 0.7343 ( 14898 PWs) bands (ev): -0.5545 -0.5545 -0.5545 -0.5545 0.0651 0.0651 0.0651 0.0651 0.0691 0.0691 0.0691 0.0691 1.3572 1.3572 1.3572 1.3572 4.5582 4.5582 4.5582 4.5582 4.9704 4.9704 4.9704 4.9704 5.6529 5.6529 5.6529 5.6529 5.9152 5.9152 5.9152 5.9152 6.3932 6.3932 6.3932 6.3932 6.6455 6.6455 6.6455 6.6455 7.0168 7.0168 7.0168 7.0168 7.2750 7.2750 7.2750 7.2750 7.5560 7.5560 7.5560 7.5560 8.7362 8.7362 8.7362 8.7362 8.7849 8.7849 8.7849 8.7849 9.1445 9.1445 9.1445 9.1445 9.1787 9.1787 9.1787 9.1787 9.4377 9.4377 9.4377 9.4377 9.8872 9.8872 9.8872 9.8872 10.5325 10.5325 10.5325 10.5325 10.7482 10.7482 10.7482 10.7482 11.1404 11.1404 11.1404 11.1404 11.1668 11.1668 11.1668 11.1668 11.4434 11.4434 k = 0.1333 0.2309 0.7343 ( 14898 PWs) bands (ev): -0.5756 -0.5756 -0.5756 -0.5756 0.0765 0.0765 0.0765 0.0765 0.0807 0.0807 0.0807 0.0807 1.3724 1.3724 1.3724 1.3724 4.5595 4.5595 4.5595 4.5595 4.9214 4.9214 4.9214 4.9214 5.6857 5.6857 5.6857 5.6857 5.8827 5.8827 5.8827 5.8827 6.3701 6.3701 6.3701 6.3701 6.6334 6.6334 6.6334 6.6334 7.0534 7.0534 7.0534 7.0534 7.2843 7.2843 7.2843 7.2843 7.5659 7.5659 7.5659 7.5659 8.7327 8.7327 8.7327 8.7327 8.7842 8.7842 8.7842 8.7842 9.1501 9.1501 9.1501 9.1501 9.1818 9.1818 9.1818 9.1818 9.4207 9.4207 9.4207 9.4207 9.8940 9.8940 9.8940 9.8940 10.5727 10.5727 10.5727 10.5727 10.7642 10.7642 10.7642 10.7642 11.1390 11.1390 11.1390 11.1390 11.1603 11.1603 11.1603 11.1603 11.4735 11.4735 k = 0.1200 0.2078 0.7343 ( 14894 PWs) bands (ev): -0.5950 -0.5950 -0.5950 -0.5950 0.0869 0.0869 0.0869 0.0869 0.0913 0.0913 0.0913 0.0913 1.3876 1.3876 1.3876 1.3876 4.5628 4.5628 4.5628 4.5628 4.8726 4.8726 4.8726 4.8726 5.7148 5.7148 5.7148 5.7148 5.8575 5.8575 5.8575 5.8575 6.3488 6.3488 6.3488 6.3488 6.6157 6.6157 6.6157 6.6157 7.0907 7.0907 7.0907 7.0907 7.2925 7.2925 7.2925 7.2925 7.5742 7.5742 7.5742 7.5742 8.7294 8.7294 8.7294 8.7294 8.7831 8.7831 8.7831 8.7831 9.1561 9.1561 9.1561 9.1561 9.1867 9.1867 9.1867 9.1867 9.4052 9.4052 9.4052 9.4052 9.8937 9.8937 9.8937 9.8937 10.6214 10.6214 10.6214 10.6214 10.7823 10.7823 10.7823 10.7823 11.1339 11.1339 11.1339 11.1339 11.1580 11.1580 11.1580 11.1580 11.5031 11.5031 k = 0.1067 0.1848 0.7343 ( 14914 PWs) bands (ev): -0.6125 -0.6125 -0.6125 -0.6125 0.0963 0.0963 0.0963 0.0963 0.1008 0.1008 0.1008 0.1008 1.4025 1.4025 1.4025 1.4025 4.5678 4.5678 4.5678 4.5678 4.8257 4.8257 4.8257 4.8257 5.7289 5.7289 5.7289 5.7289 5.8501 5.8501 5.8501 5.8501 6.3298 6.3298 6.3298 6.3298 6.5930 6.5930 6.5930 6.5930 7.1276 7.1276 7.1276 7.1276 7.2996 7.2996 7.2996 7.2996 7.5805 7.5805 7.5805 7.5805 8.7265 8.7265 8.7265 8.7265 8.7821 8.7821 8.7821 8.7821 9.1622 9.1622 9.1622 9.1622 9.1930 9.1930 9.1930 9.1930 9.3915 9.3915 9.3915 9.3915 9.8884 9.8884 9.8884 9.8884 10.6747 10.6747 10.6747 10.6747 10.8021 10.8021 10.8021 10.8021 11.1241 11.1241 11.1241 11.1241 11.1620 11.1620 11.1620 11.1620 11.5321 11.5321 k = 0.0933 0.1617 0.7343 ( 14904 PWs) bands (ev): -0.6282 -0.6282 -0.6282 -0.6282 0.1047 0.1047 0.1047 0.1047 0.1092 0.1092 0.1092 0.1092 1.4169 1.4169 1.4169 1.4169 4.5738 4.5738 4.5738 4.5738 4.7819 4.7819 4.7819 4.7819 5.7201 5.7201 5.7201 5.7201 5.8684 5.8684 5.8684 5.8684 6.3134 6.3134 6.3134 6.3134 6.5660 6.5660 6.5660 6.5660 7.1631 7.1631 7.1631 7.1631 7.3060 7.3060 7.3060 7.3060 7.5845 7.5845 7.5845 7.5845 8.7242 8.7242 8.7242 8.7242 8.7810 8.7810 8.7810 8.7810 9.1684 9.1684 9.1684 9.1684 9.2000 9.2000 9.2000 9.2000 9.3797 9.3797 9.3797 9.3797 9.8801 9.8801 9.8801 9.8801 10.7287 10.7287 10.7287 10.7287 10.8235 10.8235 10.8235 10.8235 11.1108 11.1108 11.1108 11.1108 11.1714 11.1714 11.1714 11.1714 11.5574 11.5575 k = 0.0800 0.1386 0.7343 ( 14926 PWs) bands (ev): -0.6419 -0.6419 -0.6419 -0.6419 0.1120 0.1120 0.1120 0.1120 0.1165 0.1165 0.1165 0.1165 1.4303 1.4303 1.4303 1.4303 4.5805 4.5805 4.5805 4.5805 4.7424 4.7424 4.7424 4.7424 5.6985 5.6985 5.6985 5.6985 5.9018 5.9018 5.9018 5.9018 6.3000 6.3000 6.3000 6.3000 6.5355 6.5355 6.5355 6.5355 7.1962 7.1962 7.1962 7.1962 7.3117 7.3117 7.3117 7.3117 7.5861 7.5861 7.5861 7.5861 8.7223 8.7223 8.7223 8.7223 8.7802 8.7802 8.7802 8.7802 9.1743 9.1743 9.1743 9.1743 9.2073 9.2073 9.2073 9.2073 9.3700 9.3700 9.3700 9.3700 9.8704 9.8704 9.8704 9.8704 10.7784 10.7784 10.7784 10.7784 10.8474 10.8474 10.8474 10.8474 11.0947 11.0947 11.0947 11.0947 11.1866 11.1866 11.1866 11.1866 11.5608 11.5608 k = 0.0667 0.1155 0.7343 ( 14918 PWs) bands (ev): -0.6536 -0.6536 -0.6536 -0.6536 0.1183 0.1183 0.1183 0.1183 0.1227 0.1227 0.1227 0.1227 1.4424 1.4424 1.4424 1.4424 4.5868 4.5868 4.5868 4.5868 4.7083 4.7083 4.7083 4.7083 5.6741 5.6741 5.6741 5.6741 5.9400 5.9400 5.9400 5.9400 6.2903 6.2903 6.2903 6.2903 6.5021 6.5021 6.5021 6.5021 7.2262 7.2262 7.2262 7.2262 7.3172 7.3172 7.3172 7.3172 7.5854 7.5854 7.5854 7.5854 8.7209 8.7209 8.7209 8.7209 8.7796 8.7796 8.7796 8.7796 9.1798 9.1798 9.1798 9.1798 9.2143 9.2143 9.2143 9.2143 9.3623 9.3623 9.3623 9.3623 9.8604 9.8604 9.8604 9.8604 10.8187 10.8187 10.8187 10.8187 10.8750 10.8750 10.8750 10.8750 11.0758 11.0758 11.0758 11.0758 11.2087 11.2087 11.2087 11.2087 11.5518 11.5518 k = 0.0533 0.0924 0.7343 ( 14902 PWs) bands (ev): -0.6632 -0.6632 -0.6632 -0.6632 0.1234 0.1234 0.1234 0.1234 0.1278 0.1278 0.1278 0.1278 1.4528 1.4528 1.4528 1.4528 4.5920 4.5920 4.5920 4.5920 4.6806 4.6806 4.6806 4.6806 5.6512 5.6512 5.6512 5.6512 5.9780 5.9780 5.9780 5.9780 6.2849 6.2849 6.2849 6.2849 6.4668 6.4668 6.4668 6.4668 7.2518 7.2518 7.2518 7.2518 7.3227 7.3227 7.3227 7.3227 7.5829 7.5829 7.5829 7.5829 8.7199 8.7199 8.7199 8.7199 8.7793 8.7793 8.7793 8.7793 9.1846 9.1846 9.1846 9.1846 9.2208 9.2208 9.2208 9.2208 9.3565 9.3565 9.3565 9.3565 9.8511 9.8511 9.8511 9.8511 10.8486 10.8486 10.8486 10.8486 10.9044 10.9044 10.9044 10.9044 11.0544 11.0544 11.0544 11.0544 11.2383 11.2383 11.2383 11.2383 11.5501 11.5501 k = 0.0400 0.0693 0.7343 ( 14882 PWs) bands (ev): -0.6708 -0.6708 -0.6708 -0.6708 0.1274 0.1274 0.1274 0.1274 0.1317 0.1317 0.1317 0.1317 1.4612 1.4612 1.4612 1.4612 4.5948 4.5948 4.5948 4.5948 4.6605 4.6605 4.6605 4.6605 5.6319 5.6319 5.6319 5.6319 6.0126 6.0126 6.0126 6.0126 6.2850 6.2850 6.2850 6.2850 6.4305 6.4305 6.4305 6.4305 7.2717 7.2717 7.2717 7.2717 7.3287 7.3287 7.3287 7.3287 7.5792 7.5792 7.5792 7.5792 8.7192 8.7192 8.7192 8.7192 8.7792 8.7792 8.7792 8.7792 9.1884 9.1884 9.1884 9.1884 9.2263 9.2263 9.2263 9.2263 9.3524 9.3524 9.3524 9.3524 9.8432 9.8432 9.8432 9.8432 10.8719 10.8719 10.8719 10.8719 10.9299 10.9299 10.9299 10.9299 11.0317 11.0317 11.0317 11.0317 11.2745 11.2745 11.2745 11.2745 11.5553 11.5553 k = 0.0267 0.0462 0.7343 ( 14888 PWs) bands (ev): -0.6762 -0.6762 -0.6762 -0.6762 0.1302 0.1302 0.1302 0.1302 0.1346 0.1346 0.1346 0.1346 1.4675 1.4675 1.4675 1.4675 4.5947 4.5947 4.5947 4.5947 4.6484 4.6484 4.6484 4.6484 5.6173 5.6173 5.6173 5.6173 6.0407 6.0407 6.0407 6.0407 6.2920 6.2920 6.2920 6.2920 6.3944 6.3944 6.3944 6.3944 7.2852 7.2852 7.2852 7.2852 7.3350 7.3350 7.3350 7.3350 7.5753 7.5753 7.5753 7.5753 8.7188 8.7188 8.7188 8.7188 8.7792 8.7792 8.7792 8.7792 9.1913 9.1913 9.1913 9.1913 9.2304 9.2304 9.2304 9.2304 9.3497 9.3497 9.3497 9.3497 9.8372 9.8372 9.8372 9.8372 10.8920 10.8920 10.8920 10.8920 10.9478 10.9478 10.9478 10.9478 11.0097 11.0097 11.0097 11.0097 11.3134 11.3134 11.3134 11.3134 11.5638 11.5638 k = 0.0133 0.0231 0.7343 ( 14896 PWs) bands (ev): -0.6794 -0.6794 -0.6794 -0.6794 0.1319 0.1319 0.1319 0.1319 0.1363 0.1363 0.1363 0.1363 1.4713 1.4713 1.4713 1.4713 4.5928 4.5928 4.5928 4.5928 4.6430 4.6430 4.6430 4.6430 5.6082 5.6082 5.6082 5.6082 6.0590 6.0590 6.0590 6.0590 6.3071 6.3071 6.3071 6.3071 6.3603 6.3603 6.3603 6.3603 7.2924 7.2924 7.2924 7.2924 7.3403 7.3403 7.3403 7.3403 7.5723 7.5723 7.5723 7.5723 8.7185 8.7185 8.7185 8.7185 8.7792 8.7792 8.7792 8.7792 9.1930 9.1930 9.1930 9.1930 9.2330 9.2330 9.2330 9.2330 9.3483 9.3483 9.3483 9.3483 9.8335 9.8335 9.8335 9.8335 10.9085 10.9085 10.9085 10.9085 10.9570 10.9570 10.9570 10.9570 10.9921 10.9921 10.9921 10.9921 11.3466 11.3466 11.3466 11.3466 11.5701 11.5701 k = 0.0000 0.0000 0.7343 ( 14892 PWs) bands (ev): -0.6805 -0.6805 -0.6805 -0.6805 0.1325 0.1325 0.1325 0.1325 0.1369 0.1369 0.1369 0.1369 1.4726 1.4726 1.4726 1.4726 4.5918 4.5918 4.5918 4.5918 4.6416 4.6416 4.6416 4.6416 5.6052 5.6052 5.6052 5.6052 6.0654 6.0654 6.0654 6.0654 6.3293 6.3293 6.3293 6.3293 6.3316 6.3316 6.3316 6.3316 7.2947 7.2947 7.2947 7.2947 7.3424 7.3424 7.3424 7.3424 7.5711 7.5711 7.5711 7.5711 8.7185 8.7185 8.7185 8.7185 8.7792 8.7792 8.7792 8.7792 9.1936 9.1936 9.1936 9.1936 9.2339 9.2339 9.2339 9.2339 9.3478 9.3478 9.3478 9.3478 9.8322 9.8322 9.8322 9.8322 10.9162 10.9162 10.9162 10.9162 10.9587 10.9587 10.9587 10.9587 10.9852 10.9852 10.9852 10.9852 11.3606 11.3606 11.3606 11.3606 11.5710 11.5718 k = 0.5000 0.2887 0.7343 ( 14872 PWs) bands (ev): -0.2900 -0.2900 -0.2900 -0.2900 -0.2102 -0.2102 -0.2102 -0.2102 0.0644 0.0644 0.0644 0.0644 1.2668 1.2668 1.2668 1.2668 4.5262 4.5262 4.5262 4.5262 5.2939 5.2939 5.2939 5.2939 5.7129 5.7129 5.7129 5.7129 6.1284 6.1284 6.1284 6.1284 6.2282 6.2282 6.2282 6.2282 6.6903 6.6903 6.6903 6.6903 6.8277 6.8277 6.8277 6.8277 7.2113 7.2113 7.2113 7.2113 7.5547 7.5547 7.5547 7.5547 8.6718 8.6718 8.6718 8.6718 8.8295 8.8295 8.8295 8.8295 9.0623 9.0623 9.0623 9.0623 9.3483 9.3483 9.3483 9.3483 9.4518 9.4518 9.4518 9.4518 9.7821 9.7821 9.7821 9.7821 10.4528 10.4528 10.4528 10.4528 10.6953 10.6953 10.6953 10.6953 10.8954 10.8954 10.8954 10.8954 11.0319 11.0319 11.0319 11.0319 11.3494 11.3494 k = 0.5000 0.2887 0.7071 ( 14880 PWs) bands (ev): -0.3345 -0.3345 -0.2624 -0.2624 -0.2478 -0.2478 -0.1578 -0.1578 0.0507 0.0507 0.0779 0.0779 1.2235 1.2235 1.3138 1.3138 4.5054 4.5054 4.5488 4.5488 5.2529 5.2529 5.3349 5.3349 5.6769 5.6769 5.7520 5.7520 6.1061 6.1061 6.1352 6.1352 6.2293 6.2293 6.2453 6.2453 6.6845 6.6845 6.6961 6.6961 6.8228 6.8228 6.8381 6.8381 7.1633 7.1633 7.2515 7.2515 7.5357 7.5357 7.5733 7.5733 8.6445 8.6445 8.7014 8.7014 8.8183 8.8183 8.8256 8.8256 9.0627 9.0627 9.0714 9.0714 9.2617 9.2617 9.4089 9.4089 9.4257 9.4257 9.4800 9.4800 9.7741 9.7741 9.8166 9.8166 10.3840 10.3840 10.5133 10.5133 10.6153 10.6153 10.7729 10.7729 10.8723 10.8723 10.9113 10.9113 10.9628 10.9628 11.1012 11.1012 11.2908 11.2908 k = 0.5000 0.2887 0.6799 ( 14874 PWs) bands (ev): -0.3804 -0.3804 -0.3142 -0.3142 -0.2095 -0.2095 -0.1054 -0.1054 0.0383 0.0383 0.0902 0.0902 1.1839 1.1839 1.3643 1.3643 4.4870 4.4870 4.5726 4.5726 5.2125 5.2125 5.3751 5.3751 5.6443 5.6443 5.7933 5.7933 6.0759 6.0759 6.1277 6.1277 6.2485 6.2485 6.2717 6.2717 6.6796 6.6796 6.7011 6.7011 6.8244 6.8244 6.8527 6.8527 7.1098 7.1098 7.2811 7.2811 7.5195 7.5195 7.5890 7.5890 8.6197 8.6197 8.7325 8.7325 8.7944 8.7944 8.8086 8.8086 9.0726 9.0726 9.0862 9.0862 9.1643 9.1643 9.3968 9.3968 9.4332 9.4332 9.5115 9.5115 9.8035 9.8035 9.8650 9.8650 10.3113 10.3113 10.5204 10.5204 10.5767 10.5767 10.8232 10.8232 10.8490 10.8490 10.8985 10.8986 10.9352 10.9352 11.1656 11.1656 11.2417 11.2417 k = 0.5000 0.2887 0.6527 ( 14872 PWs) bands (ev): -0.4269 -0.4269 -0.3655 -0.3655 -0.1778 -0.1778 -0.0532 -0.0532 0.0301 0.0301 0.1006 0.1006 1.1482 1.1482 1.4182 1.4182 4.4716 4.4716 4.5969 4.5969 5.1736 5.1736 5.4136 5.4136 5.6158 5.6158 5.8356 5.8356 6.0426 6.0426 6.1160 6.1160 6.2763 6.2763 6.3025 6.3025 6.6760 6.6760 6.7045 6.7045 6.8334 6.8334 6.8706 6.8706 7.0532 7.0532 7.2972 7.2972 7.5092 7.5092 7.5995 7.5995 8.5971 8.5971 8.7525 8.7525 8.7680 8.7680 8.7876 8.7876 9.0636 9.0636 9.0878 9.0878 9.1039 9.1039 9.3703 9.3703 9.4227 9.4227 9.5464 9.5464 9.8620 9.8620 9.9200 9.9200 10.2368 10.2368 10.4455 10.4455 10.6006 10.6006 10.7795 10.7795 10.8311 10.8311 10.9347 10.9347 10.9368 10.9368 11.2066 11.2066 11.2284 11.2284 k = 0.5000 0.2887 0.6255 ( 14870 PWs) bands (ev): -0.4736 -0.4736 -0.4160 -0.4160 -0.1564 -0.1564 -0.0016 -0.0016 0.0299 0.0299 0.1086 0.1086 1.1164 1.1164 1.4752 1.4752 4.4597 4.4597 4.6211 4.6211 5.1366 5.1366 5.4497 5.4497 5.5916 5.5916 5.8772 5.8772 6.0086 6.0086 6.1055 6.1055 6.3076 6.3076 6.3357 6.3357 6.6737 6.6737 6.7064 6.7064 6.8488 6.8488 6.8900 6.8900 6.9971 6.9971 7.2987 7.2987 7.5063 7.5063 7.6029 7.6029 8.5765 8.5765 8.7148 8.7148 8.7485 8.7485 8.8051 8.8051 8.9666 8.9666 9.1020 9.1020 9.1215 9.1215 9.3443 9.3443 9.3981 9.3981 9.5838 9.5838 9.9290 9.9290 9.9758 9.9758 10.1627 10.1627 10.3686 10.3686 10.6032 10.6032 10.6989 10.6989 10.8486 10.8486 10.9318 10.9318 10.9635 10.9635 11.2150 11.2150 11.2780 11.2780 k = 0.5000 0.2887 0.5983 ( 14870 PWs) bands (ev): -0.5200 -0.5200 -0.4655 -0.4655 -0.1486 -0.1486 0.0407 0.0407 0.0494 0.0494 0.1140 0.1140 1.0886 1.0886 1.5354 1.5354 4.4517 4.4517 4.6445 4.6445 5.1021 5.1021 5.4821 5.4821 5.5722 5.5722 5.9138 5.9138 5.9778 5.9778 6.0983 6.0983 6.3398 6.3398 6.3710 6.3710 6.6725 6.6725 6.7077 6.7077 6.8636 6.8636 6.9051 6.9051 6.9555 6.9555 7.2880 7.2880 7.5086 7.5086 7.5974 7.5974 8.5573 8.5573 8.6669 8.6669 8.7175 8.7175 8.8289 8.8289 8.8816 8.8816 9.1112 9.1112 9.1387 9.1387 9.3199 9.3199 9.3720 9.3720 9.6240 9.6240 9.9897 9.9897 10.0188 10.0188 10.0973 10.0973 10.2950 10.2950 10.5851 10.5851 10.6261 10.6261 10.8821 10.8821 10.9259 10.9259 10.9549 10.9549 11.2648 11.2648 11.3225 11.3225 k = 0.5000 0.2887 0.5711 ( 14878 PWs) bands (ev): -0.5659 -0.5659 -0.5139 -0.5139 -0.1533 -0.1533 0.0617 0.0617 0.0995 0.0995 0.1166 0.1166 1.0646 1.0646 1.5984 1.5984 4.4481 4.4481 4.6667 4.6667 5.0706 5.0706 5.5087 5.5087 5.5592 5.5592 5.9211 5.9211 5.9734 5.9734 6.0947 6.0947 6.3714 6.3714 6.4084 6.4084 6.6723 6.6723 6.7095 6.7095 6.8433 6.8433 6.9205 6.9205 6.9592 6.9592 7.2695 7.2695 7.5118 7.5118 7.5818 7.5818 8.5384 8.5384 8.6156 8.6156 8.6852 8.6852 8.7794 8.7794 8.8743 8.8743 9.1149 9.1149 9.1507 9.1507 9.2999 9.2999 9.3520 9.3520 9.6668 9.6668 9.9906 9.9906 10.0330 10.0330 10.0940 10.0940 10.2261 10.2261 10.5175 10.5175 10.6135 10.6135 10.9051 10.9051 10.9209 10.9209 10.9417 10.9417 11.3397 11.3397 11.3599 11.3599 k = 0.5000 0.2887 0.5439 ( 14870 PWs) bands (ev): -0.6111 -0.6111 -0.5611 -0.5611 -0.1665 -0.1665 0.0889 0.0889 0.1163 0.1163 0.1485 0.1485 1.0445 1.0445 1.6643 1.6643 4.4490 4.4490 4.6872 4.6872 5.0425 5.0425 5.5227 5.5227 5.5586 5.5586 5.8936 5.8936 6.0000 6.0000 6.0939 6.0939 6.4012 6.4012 6.4474 6.4474 6.6728 6.6728 6.7127 6.7127 6.7970 6.7970 6.9529 6.9529 6.9844 6.9844 7.2472 7.2472 7.5114 7.5114 7.5559 7.5559 8.5168 8.5168 8.5644 8.5644 8.6528 8.6528 8.7061 8.7061 8.8937 8.8937 9.1134 9.1134 9.1522 9.1522 9.2879 9.2879 9.3433 9.3433 9.7118 9.7118 9.9218 9.9218 10.0381 10.0381 10.1304 10.1304 10.1668 10.1668 10.4351 10.4351 10.6399 10.6399 10.8847 10.8847 10.9057 10.9057 10.9785 10.9785 11.3888 11.3888 11.4255 11.4255 k = 0.5000 0.2887 0.5167 ( 14882 PWs) bands (ev): -0.6551 -0.6551 -0.6068 -0.6068 -0.1847 -0.1847 0.1128 0.1128 0.1194 0.1194 0.1961 0.1961 1.0279 1.0279 1.7328 1.7328 4.4548 4.4548 4.7058 4.7058 5.0182 5.0182 5.5220 5.5220 5.5719 5.5719 5.8621 5.8621 6.0262 6.0262 6.0937 6.0937 6.4289 6.4289 6.4860 6.4860 6.6744 6.6744 6.7173 6.7173 6.7547 6.7547 6.9912 6.9912 7.0159 7.0159 7.2241 7.2241 7.4974 7.4974 7.5274 7.5274 8.4840 8.4840 8.5213 8.5213 8.6209 8.6209 8.6424 8.6424 8.9055 8.9055 9.1075 9.1075 9.1404 9.1404 9.2851 9.2851 9.3493 9.3493 9.7572 9.7572 9.8502 9.8502 10.0095 10.0095 10.1016 10.1016 10.1830 10.1830 10.3557 10.3557 10.6878 10.6878 10.8489 10.8489 10.9028 10.9028 11.0199 11.0199 11.4106 11.4106 11.5117 11.5118 k = 0.5000 0.2887 0.4895 ( 14888 PWs) bands (ev): -0.6979 -0.6979 -0.6510 -0.6510 -0.2054 -0.2054 0.1076 0.1076 0.1494 0.1494 0.2422 0.2422 1.0146 1.0146 1.8038 1.8038 4.4657 4.4657 4.7222 4.7222 4.9979 4.9979 5.5184 5.5184 5.5865 5.5865 5.8317 5.8317 6.0446 6.0446 6.0928 6.0928 6.4541 6.4541 6.5201 6.5201 6.6782 6.6782 6.7122 6.7122 6.7386 6.7386 7.0285 7.0285 7.0544 7.0544 7.2025 7.2025 7.4540 7.4540 7.5118 7.5118 8.4357 8.4357 8.4887 8.4887 8.5875 8.5875 8.5944 8.5944 8.9078 8.9078 9.0973 9.0973 9.1182 9.1182 9.2870 9.2870 9.3707 9.3707 9.7693 9.7693 9.8125 9.8125 9.9599 9.9599 10.0539 10.0539 10.2105 10.2105 10.2952 10.2952 10.7443 10.7443 10.8144 10.8144 10.9056 10.9056 11.0602 11.0602 11.4246 11.4246 11.5098 11.5098 k = 0.5000 0.2887 0.4623 ( 14874 PWs) bands (ev): -0.7393 -0.7393 -0.6934 -0.6934 -0.2275 -0.2275 0.0999 0.0999 0.1789 0.1789 0.2865 0.2865 1.0043 1.0043 1.8771 1.8771 4.4816 4.4816 4.7362 4.7362 4.9818 4.9818 5.5162 5.5162 5.5977 5.5977 5.8039 5.8039 6.0429 6.0429 6.0988 6.0988 6.4766 6.4766 6.5453 6.5453 6.6806 6.6806 6.7033 6.7033 6.7545 6.7545 7.0605 7.0605 7.0986 7.0986 7.1864 7.1864 7.3942 7.3942 7.4975 7.4975 8.3822 8.3822 8.4548 8.4548 8.5519 8.5519 8.5643 8.5643 8.9025 8.9025 9.0817 9.0817 9.0921 9.0921 9.2876 9.2876 9.4050 9.4050 9.7025 9.7025 9.8516 9.8516 9.8995 9.8995 10.0150 10.0150 10.1786 10.1786 10.3002 10.3002 10.7779 10.7779 10.8015 10.8015 10.9156 10.9156 11.1003 11.1003 11.4311 11.4311 11.5023 11.5023 k = 0.5000 0.2887 0.4351 ( 14878 PWs) bands (ev): -0.7790 -0.7790 -0.7341 -0.7341 -0.2500 -0.2500 0.0902 0.0902 0.2070 0.2070 0.3289 0.3289 0.9964 0.9964 1.9525 1.9525 4.5026 4.5026 4.7480 4.7480 4.9700 4.9700 5.5158 5.5158 5.6044 5.6044 5.7797 5.7797 6.0147 6.0147 6.1162 6.1162 6.4962 6.4962 6.5624 6.5624 6.6752 6.6752 6.7130 6.7130 6.7862 6.7862 7.0857 7.0857 7.1341 7.1341 7.1893 7.1893 7.3270 7.3270 7.4795 7.4795 8.3282 8.3282 8.4175 8.4175 8.5225 8.5225 8.5407 8.5407 8.8929 8.8929 9.0542 9.0542 9.0720 9.0720 9.2831 9.2831 9.4469 9.4469 9.6338 9.6338 9.8353 9.8353 9.8831 9.8831 9.9863 9.9863 10.1309 10.1309 10.3355 10.3355 10.7505 10.7505 10.8392 10.8392 10.9331 10.9331 11.1436 11.1436 11.4306 11.4306 11.5044 11.5044 k = 0.5000 0.2887 0.4079 ( 14900 PWs) bands (ev): -0.8170 -0.8170 -0.7728 -0.7728 -0.2725 -0.2725 0.0790 0.0790 0.2332 0.2332 0.3692 0.3692 0.9908 0.9908 2.0298 2.0298 4.5286 4.5286 4.7574 4.7574 4.9625 4.9625 5.5167 5.5167 5.6068 5.6068 5.7596 5.7596 5.9679 5.9679 6.1378 6.1378 6.5128 6.5128 6.5769 6.5769 6.6705 6.6705 6.7263 6.7263 6.8317 6.8317 7.0956 7.0956 7.1512 7.1512 7.2125 7.2125 7.2715 7.2715 7.4584 7.4584 8.2750 8.2750 8.3794 8.3794 8.4954 8.4954 8.5224 8.5224 8.8816 8.8816 9.0213 9.0213 9.0535 9.0535 9.2715 9.2715 9.4884 9.4884 9.5672 9.5672 9.7747 9.7747 9.8861 9.8861 9.9687 9.9687 10.1130 10.1130 10.3731 10.3731 10.7241 10.7241 10.8611 10.8611 10.9572 10.9572 11.1920 11.1920 11.4231 11.4231 11.5161 11.5161 k = 0.5000 0.2887 0.3807 ( 14910 PWs) bands (ev): -0.8530 -0.8530 -0.8095 -0.8095 -0.2946 -0.2946 0.0667 0.0667 0.2573 0.2573 0.4072 0.4072 0.9869 0.9869 2.1086 2.1086 4.5593 4.5593 4.7648 4.7648 4.9594 4.9594 5.5174 5.5174 5.6067 5.6067 5.7431 5.7431 5.9094 5.9094 6.1602 6.1602 6.5261 6.5261 6.5920 6.5920 6.6677 6.6677 6.7388 6.7388 6.8849 6.8849 7.0871 7.0871 7.1526 7.1526 7.1871 7.1871 7.2977 7.2977 7.4373 7.4373 8.2235 8.2235 8.3423 8.3423 8.4691 8.4691 8.5077 8.5077 8.8709 8.8709 8.9878 8.9878 9.0339 9.0339 9.2525 9.2525 9.4957 9.4957 9.5230 9.5230 9.7307 9.7307 9.8516 9.8516 9.9650 9.9650 10.1351 10.1351 10.4098 10.4098 10.7005 10.7005 10.8670 10.8670 10.9872 10.9872 11.2444 11.2444 11.4088 11.4088 11.5359 11.5359 k = 0.5000 0.2887 0.3535 ( 14916 PWs) bands (ev): -0.8871 -0.8871 -0.8441 -0.8441 -0.3160 -0.3160 0.0536 0.0536 0.2793 0.2793 0.4429 0.4429 0.9844 0.9844 2.1886 2.1886 4.5943 4.5943 4.7703 4.7703 4.9603 4.9603 5.5154 5.5154 5.6073 5.6073 5.7269 5.7269 5.8465 5.8465 6.1819 6.1819 6.5358 6.5358 6.6067 6.6067 6.6660 6.6660 6.7503 6.7503 6.9354 6.9354 7.0629 7.0629 7.1046 7.1046 7.2091 7.2091 7.3372 7.3372 7.4290 7.4290 8.1743 8.1743 8.3065 8.3065 8.4438 8.4438 8.4950 8.4950 8.8618 8.8618 8.9547 8.9547 9.0132 9.0132 9.2268 9.2268 9.4361 9.4361 9.5129 9.5129 9.7233 9.7233 9.7977 9.7977 9.9732 9.9732 10.1812 10.1812 10.4452 10.4452 10.6797 10.6797 10.8609 10.8609 11.0228 11.0228 11.2975 11.2975 11.3875 11.3875 11.5603 11.5604 k = 0.5000 0.2887 0.3263 ( 14914 PWs) bands (ev): -0.9190 -0.9190 -0.8764 -0.8764 -0.3365 -0.3365 0.0402 0.0402 0.2991 0.2991 0.4761 0.4761 0.9830 0.9830 2.2694 2.2694 4.6331 4.6331 4.7741 4.7741 4.9651 4.9651 5.5086 5.5086 5.6110 5.6110 5.7021 5.7021 5.7924 5.7924 6.2014 6.2014 6.5416 6.5416 6.6176 6.6176 6.6648 6.6648 6.7610 6.7610 6.9442 6.9442 7.0519 7.0519 7.0817 7.0817 7.2387 7.2387 7.3401 7.3401 7.4608 7.4608 8.1280 8.1280 8.2720 8.2720 8.4197 8.4197 8.4835 8.4835 8.8550 8.8550 8.9228 8.9228 8.9917 8.9917 9.1957 9.1957 9.3760 9.3760 9.4708 9.4708 9.7319 9.7319 9.7578 9.7578 9.9910 9.9910 10.2381 10.2381 10.4791 10.4791 10.6616 10.6616 10.8479 10.8479 11.0637 11.0637 11.3479 11.3479 11.3602 11.3602 11.5775 11.5776 k = 0.5000 0.2887 0.2991 ( 14910 PWs) bands (ev): -0.9487 -0.9487 -0.9065 -0.9065 -0.3559 -0.3559 0.0267 0.0267 0.3167 0.3167 0.5067 0.5067 0.9824 0.9824 2.3505 2.3505 4.6745 4.6745 4.7770 4.7770 4.9736 4.9736 5.4970 5.4970 5.6079 5.6079 5.6660 5.6660 5.7630 5.7630 6.2176 6.2176 6.5427 6.5427 6.6190 6.6190 6.6621 6.6621 6.7712 6.7712 6.8984 6.8984 7.0654 7.0654 7.0981 7.0981 7.2697 7.2697 7.3211 7.3211 7.5178 7.5178 8.0850 8.0850 8.2385 8.2385 8.3967 8.3967 8.4728 8.4728 8.8507 8.8507 8.8928 8.8928 8.9698 8.9698 9.1610 9.1610 9.3186 9.3186 9.4146 9.4146 9.6757 9.6757 9.7964 9.7964 10.0169 10.0169 10.3004 10.3004 10.5115 10.5115 10.6460 10.6460 10.8324 10.8324 11.1092 11.1092 11.3252 11.3252 11.3962 11.3962 11.5704 11.5704 k = 0.5000 0.2887 0.2719 ( 14910 PWs) bands (ev): -0.9761 -0.9761 -0.9342 -0.9342 -0.3741 -0.3741 0.0136 0.0136 0.3322 0.3322 0.5347 0.5347 0.9825 0.9825 2.4311 2.4311 4.7161 4.7161 4.7803 4.7803 4.9853 4.9853 5.4820 5.4820 5.5613 5.5613 5.6637 5.6637 5.7517 5.7517 6.2292 6.2292 6.5371 6.5371 6.6021 6.6021 6.6582 6.6582 6.7808 6.7808 6.8586 6.8586 7.0516 7.0516 7.1528 7.1528 7.2926 7.2926 7.3107 7.3107 7.5805 7.5805 8.0457 8.0457 8.2059 8.2059 8.3749 8.3749 8.4628 8.4628 8.8488 8.8488 8.8653 8.8653 8.9477 8.9477 9.1241 9.1241 9.2643 9.2643 9.3551 9.3551 9.6185 9.6185 9.8396 9.8396 10.0493 10.0493 10.3654 10.3654 10.5421 10.5421 10.6325 10.6325 10.8180 10.8180 11.1586 11.1586 11.2854 11.2854 11.4397 11.4397 11.5604 11.5604 k = 0.5000 0.2887 0.2448 ( 14910 PWs) bands (ev): -1.0010 -1.0010 -0.9594 -0.9594 -0.3908 -0.3908 0.0009 0.0009 0.3458 0.3458 0.5600 0.5600 0.9829 0.9829 2.5107 2.5107 4.7495 4.7495 4.7907 4.7907 5.0000 5.0000 5.4646 5.4646 5.4959 5.4959 5.6836 5.6836 5.7479 5.7479 6.2350 6.2350 6.5154 6.5154 6.5697 6.5697 6.6558 6.6558 6.7879 6.7879 6.8431 6.8431 7.0348 7.0348 7.2055 7.2055 7.2815 7.2815 7.3428 7.3428 7.6436 7.6436 8.0104 8.0104 8.1743 8.1743 8.3542 8.3542 8.4536 8.4536 8.8395 8.8395 8.8501 8.8501 8.9260 8.9260 9.0864 9.0864 9.2137 9.2137 9.2965 9.2965 9.5646 9.5646 9.8792 9.8792 10.0871 10.0871 10.4313 10.4313 10.5706 10.5706 10.6212 10.6212 10.8073 10.8073 11.2102 11.2102 11.2412 11.2412 11.4793 11.4793 11.5537 11.5537 k = 0.5000 0.2887 0.2176 ( 14910 PWs) bands (ev): -1.0236 -1.0236 -0.9821 -0.9821 -0.4061 -0.4061 -0.0109 -0.0109 0.3574 0.3574 0.5826 0.5826 0.9835 0.9835 2.5882 2.5882 4.7616 4.7616 4.8187 4.8187 5.0177 5.0177 5.4262 5.4262 5.4539 5.4539 5.7069 5.7069 5.7502 5.7502 6.2333 6.2333 6.4629 6.4629 6.5464 6.5464 6.6546 6.6546 6.7909 6.7909 6.8473 6.8473 7.0147 7.0147 7.2494 7.2494 7.2769 7.2769 7.3824 7.3824 7.7051 7.7051 7.9792 7.9792 8.1438 8.1438 8.3346 8.3346 8.4452 8.4452 8.8181 8.8181 8.8518 8.8518 8.9054 8.9054 9.0489 9.0489 9.1670 9.1670 9.2406 9.2406 9.5149 9.5149 9.9124 9.9124 10.1291 10.1291 10.4964 10.4964 10.5959 10.5959 10.6128 10.6128 10.8020 10.8020 11.1906 11.1906 11.2660 11.2660 11.5145 11.5145 11.5514 11.5514 k = 0.5000 0.2887 0.1904 ( 14916 PWs) bands (ev): -1.0436 -1.0436 -1.0023 -1.0023 -0.4197 -0.4197 -0.0218 -0.0218 0.3674 0.3674 0.6025 0.6025 0.9842 0.9842 2.6625 2.6625 4.7628 4.7628 4.8492 4.8492 5.0388 5.0388 5.3738 5.3738 5.4372 5.4372 5.7218 5.7218 5.7661 5.7661 6.2209 6.2209 6.3965 6.3965 6.5296 6.5296 6.6535 6.6535 6.7914 6.7914 6.8599 6.8599 6.9927 6.9927 7.2667 7.2667 7.2995 7.2995 7.4253 7.4253 7.7632 7.7632 7.9528 7.9528 8.1146 8.1146 8.3157 8.3157 8.4375 8.4375 8.7998 8.7998 8.8534 8.8534 8.8879 8.8879 9.0126 9.0126 9.1246 9.1246 9.1884 9.1884 9.4699 9.4699 9.9381 9.9381 10.1743 10.1743 10.5559 10.5559 10.6055 10.6055 10.6229 10.6229 10.8026 10.8026 11.1381 11.1381 11.3212 11.3212 11.5379 11.5379 11.5602 11.5602 k = 0.5000 0.2887 0.1632 ( 14940 PWs) bands (ev): -1.0610 -1.0610 -1.0199 -1.0199 -0.4317 -0.4317 -0.0316 -0.0316 0.3757 0.3757 0.6197 0.6197 0.9850 0.9850 2.7325 2.7325 4.7615 4.7615 4.8682 4.8682 5.0633 5.0633 5.3375 5.3375 5.4232 5.4232 5.7255 5.7255 5.7962 5.7962 6.1913 6.1913 6.3369 6.3369 6.5126 6.5126 6.6525 6.6525 6.7900 6.7900 6.8733 6.8733 6.9722 6.9722 7.2739 7.2739 7.3319 7.3319 7.4691 7.4691 7.8146 7.8146 7.9334 7.9334 8.0869 8.0869 8.2975 8.2975 8.4307 8.4307 8.7852 8.7852 8.8488 8.8488 8.8794 8.8794 8.9783 8.9783 9.0871 9.0871 9.1405 9.1405 9.4301 9.4301 9.9563 9.9563 10.2219 10.2219 10.5830 10.5830 10.6279 10.6279 10.6478 10.6478 10.8088 10.8088 11.0830 11.0830 11.3761 11.3761 11.5415 11.5415 11.5863 11.5863 k = 0.5000 0.2887 0.1360 ( 14920 PWs) bands (ev): -1.0759 -1.0759 -1.0348 -1.0348 -0.4420 -0.4420 -0.0400 -0.0400 0.3824 0.3824 0.6342 0.6342 0.9857 0.9857 2.7964 2.7964 4.7594 4.7594 4.8706 4.8706 5.0892 5.0892 5.3243 5.3243 5.4112 5.4112 5.7252 5.7252 5.8315 5.8315 6.1396 6.1396 6.2949 6.2949 6.4944 6.4944 6.6516 6.6516 6.7867 6.7867 6.8824 6.8824 6.9577 6.9577 7.2834 7.2834 7.3606 7.3606 7.5114 7.5114 7.8499 7.8499 7.9293 7.9293 8.0612 8.0612 8.2798 8.2798 8.4248 8.4248 8.7743 8.7743 8.8356 8.8356 8.8824 8.8824 8.9466 8.9466 9.0546 9.0546 9.0972 9.0972 9.3958 9.3958 9.9678 9.9678 10.2708 10.2708 10.5812 10.5812 10.6538 10.6538 10.6916 10.6916 10.8189 10.8189 11.0268 11.0268 11.4289 11.4289 11.5388 11.5388 11.6138 11.6138 k = 0.5000 0.2887 0.1088 ( 14924 PWs) bands (ev): -1.0880 -1.0880 -1.0471 -1.0471 -0.4505 -0.4505 -0.0471 -0.0471 0.3878 0.3878 0.6460 0.6460 0.9864 0.9864 2.8526 2.8526 4.7572 4.7572 4.8585 4.8585 5.1124 5.1124 5.3359 5.3359 5.4013 5.4013 5.7231 5.7231 5.8673 5.8673 6.0744 6.0744 6.2669 6.2669 6.4758 6.4758 6.6509 6.6509 6.7811 6.7811 6.8845 6.8845 6.9530 6.9530 7.2942 7.2942 7.3850 7.3850 7.5497 7.5497 7.8567 7.8567 7.9523 7.9523 8.0379 8.0379 8.2625 8.2625 8.4198 8.4198 8.7671 8.7671 8.8208 8.8208 8.8905 8.8905 8.9183 8.9183 9.0276 9.0276 9.0589 9.0589 9.3674 9.3674 9.9740 9.9740 10.3197 10.3197 10.5773 10.5773 10.6691 10.6691 10.7398 10.7398 10.8310 10.8310 10.9712 10.9712 11.4772 11.4772 11.5321 11.5321 11.6385 11.6385 k = 0.5000 0.2887 0.0816 ( 14924 PWs) bands (ev): -1.0975 -1.0975 -1.0567 -1.0567 -0.4571 -0.4571 -0.0527 -0.0527 0.3919 0.3919 0.6552 0.6552 0.9869 0.9869 2.8991 2.8991 4.7553 4.7553 4.8388 4.8388 5.1300 5.1300 5.3667 5.3667 5.3935 5.3935 5.7194 5.7194 5.8993 5.8993 6.0100 6.0100 6.2450 6.2450 6.4584 6.4584 6.6505 6.6505 6.7739 6.7739 6.8816 6.8816 6.9559 6.9559 7.3046 7.3046 7.4049 7.4049 7.5820 7.5820 7.8495 7.8495 7.9868 7.9868 8.0179 8.0179 8.2458 8.2458 8.4159 8.4159 8.7631 8.7631 8.8076 8.8076 8.8942 8.8942 8.9007 8.9007 9.0063 9.0063 9.0258 9.0258 9.3451 9.3451 9.9765 9.9765 10.3662 10.3662 10.5743 10.5743 10.6803 10.6803 10.7812 10.7812 10.8430 10.8430 10.9186 10.9186 11.5148 11.5148 11.5267 11.5267 11.6593 11.6594 k = 0.5000 0.2887 0.0544 ( 14924 PWs) bands (ev): -1.1044 -1.1044 -1.0635 -1.0635 -0.4619 -0.4619 -0.0567 -0.0567 0.3948 0.3948 0.6617 0.6617 0.9873 0.9873 2.9341 2.9341 4.7539 4.7539 4.8190 4.8190 5.1421 5.1421 5.3879 5.3879 5.4062 5.4062 5.7133 5.7133 5.9128 5.9128 5.9680 5.9680 6.2267 6.2267 6.4440 6.4440 6.6503 6.6503 6.7669 6.7669 6.8781 6.8781 6.9609 6.9609 7.3131 7.3131 7.4199 7.4199 7.6066 7.6066 7.8414 7.8414 8.0016 8.0016 8.0189 8.0189 8.2305 8.2305 8.4131 8.4131 8.7617 8.7617 8.7973 8.7973 8.8753 8.8753 8.9124 8.9124 8.9905 8.9905 8.9983 8.9983 9.3290 9.3290 9.9771 9.9771 10.4066 10.4066 10.5729 10.5729 10.6881 10.6881 10.8127 10.8127 10.8529 10.8529 10.8730 10.8730 11.5113 11.5113 11.5528 11.5528 11.6751 11.6753 k = 0.5000 0.2887 0.0272 ( 14926 PWs) bands (ev): -1.1084 -1.1084 -1.0676 -1.0676 -0.4647 -0.4647 -0.0592 -0.0592 0.3965 0.3965 0.6656 0.6656 0.9876 0.9876 2.9559 2.9559 4.7531 4.7531 4.8048 4.8048 5.1491 5.1491 5.3846 5.3846 5.4409 5.4409 5.7055 5.7055 5.8911 5.8911 5.9702 5.9702 6.2134 6.2134 6.4345 6.4345 6.6502 6.6502 6.7617 6.7617 6.8758 6.8758 6.9649 6.9649 7.3186 7.3186 7.4293 7.4293 7.6221 7.6221 7.8359 7.8359 7.9915 7.9915 8.0411 8.0411 8.2188 8.2188 8.4113 8.4113 8.7618 8.7618 8.7909 8.7909 8.8630 8.8630 8.9245 8.9245 8.9750 8.9750 8.9827 8.9827 9.3193 9.3193 9.9768 9.9768 10.4353 10.4353 10.5730 10.5730 10.6926 10.6926 10.8309 10.8309 10.8416 10.8416 10.8595 10.8595 11.5046 11.5046 11.5729 11.5729 11.6850 11.6850 k = 0.5000 0.2887-0.0000 ( 14934 PWs) bands (ev): -1.1098 -1.1098 -1.0690 -1.0690 -0.4657 -0.4657 -0.0600 -0.0600 0.3971 0.3971 0.6669 0.6669 0.9876 0.9876 2.9633 2.9633 4.7528 4.7528 4.7997 4.7997 5.1514 5.1514 5.3835 5.3835 5.4553 5.4553 5.7013 5.7013 5.8789 5.8789 5.9756 5.9756 6.2083 6.2083 6.4312 6.4312 6.6502 6.6502 6.7598 6.7598 6.8750 6.8750 6.9664 6.9664 7.3205 7.3205 7.4325 7.4325 7.6273 7.6273 7.8340 7.8340 7.9879 7.9879 8.0493 8.0493 8.2142 8.2142 8.4108 8.4108 8.7620 8.7620 8.7887 8.7887 8.8587 8.8587 8.9317 8.9317 8.9650 8.9650 8.9793 8.9793 9.3161 9.3161 9.9767 9.9767 10.4458 10.4458 10.5734 10.5734 10.6941 10.6941 10.8263 10.8263 10.8408 10.8408 10.8617 10.8617 11.5021 11.5021 11.5798 11.5798 11.6884 11.6884 k = 0.3333 0.5774-0.0000 ( 14898 PWs) bands (ev): -0.9286 -0.9286 -0.9167 -0.9167 -0.9138 -0.9138 -0.0518 -0.0518 0.5711 0.5711 0.5741 0.5741 1.0035 1.0035 2.9623 2.9623 4.8806 4.8806 4.9604 4.9604 4.9682 4.9682 5.2689 5.2689 5.3042 5.3042 5.6561 5.6561 5.7995 5.7995 5.9864 5.9864 6.4517 6.4517 6.6602 6.6602 6.7220 6.7220 6.8252 6.8252 6.9562 6.9562 6.9567 6.9567 7.2042 7.2042 7.5059 7.5059 7.5204 7.5204 7.9129 7.9129 7.9179 7.9179 7.9458 7.9458 8.1236 8.1236 8.3792 8.3792 8.3800 8.3800 8.7528 8.7528 8.7597 8.7597 8.9719 8.9719 8.9952 8.9952 9.7181 9.7181 9.7587 9.7587 9.8874 9.8874 9.9945 9.9945 10.2916 10.2916 10.3790 10.3790 10.8601 10.8601 10.8832 10.8832 11.0652 11.0652 11.3834 11.3834 11.5717 11.5717 11.5829 11.5829 k = 0.3333 0.5774 0.0272 ( 14901 PWs) bands (ev): -0.9273 -0.9273 -0.9154 -0.9154 -0.9125 -0.9125 -0.0513 -0.0513 0.5703 0.5703 0.5733 0.5733 1.0034 1.0034 2.9546 2.9546 4.8877 4.8877 4.9591 4.9591 4.9654 4.9654 5.2651 5.2651 5.3021 5.3021 5.6626 5.6626 5.8029 5.8029 5.9815 5.9815 6.4531 6.4531 6.6631 6.6631 6.7269 6.7269 6.8235 6.8235 6.9555 6.9555 6.9591 6.9591 7.2026 7.2026 7.5012 7.5012 7.5150 7.5150 7.9042 7.9042 7.9213 7.9213 7.9507 7.9507 8.1309 8.1309 8.3783 8.3783 8.3791 8.3791 8.7443 8.7443 8.7714 8.7714 8.9755 8.9755 8.9988 8.9988 9.7161 9.7161 9.7563 9.7563 9.8896 9.8896 9.9965 9.9965 10.2921 10.2921 10.3786 10.3786 10.8587 10.8587 10.8852 10.8852 11.0567 11.0567 11.3935 11.3935 11.5632 11.5632 11.5740 11.5740 k = 0.3333 0.5774 0.0544 ( 14898 PWs) bands (ev): -0.9234 -0.9234 -0.9115 -0.9115 -0.9086 -0.9086 -0.0497 -0.0497 0.5677 0.5677 0.5707 0.5707 1.0030 1.0030 2.9321 2.9321 4.9056 4.9056 4.9569 4.9569 4.9579 4.9579 5.2552 5.2552 5.2966 5.2966 5.6808 5.6808 5.8120 5.8120 5.9679 5.9679 6.4568 6.4568 6.6709 6.6709 6.7418 6.7418 6.8185 6.8185 6.9535 6.9535 6.9659 6.9659 7.1982 7.1982 7.4881 7.4881 7.5000 7.5000 7.8772 7.8772 7.9350 7.9350 7.9647 7.9647 8.1497 8.1497 8.3757 8.3757 8.3761 8.3761 8.7362 8.7362 8.7891 8.7891 8.9861 8.9861 9.0097 9.0097 9.7103 9.7103 9.7495 9.7495 9.8954 9.8954 10.0018 10.0018 10.2935 10.2935 10.3775 10.3775 10.8523 10.8523 10.8932 10.8932 11.0343 11.0343 11.4211 11.4211 11.5383 11.5383 11.5479 11.5479 k = 0.3333 0.5774 0.0816 ( 14937 PWs) bands (ev): -0.9170 -0.9170 -0.9050 -0.9050 -0.9021 -0.9021 -0.0472 -0.0472 0.5635 0.5635 0.5665 0.5665 1.0023 1.0023 2.8960 2.8960 4.9169 4.9169 4.9426 4.9426 4.9727 4.9727 5.2423 5.2423 5.2894 5.2894 5.7079 5.7079 5.8236 5.8236 5.9499 5.9499 6.4616 6.4616 6.6815 6.6815 6.7668 6.7668 6.8103 6.8103 6.9498 6.9498 6.9760 6.9760 7.1911 7.1911 7.4691 7.4691 7.4780 7.4780 7.8384 7.8384 7.9560 7.9560 7.9858 7.9858 8.1749 8.1749 8.3712 8.3712 8.3714 8.3714 8.7311 8.7311 8.8101 8.8101 9.0035 9.0035 9.0276 9.0276 9.7021 9.7021 9.7393 9.7393 9.9038 9.9038 10.0094 10.0094 10.2960 10.2960 10.3758 10.3758 10.8391 10.8391 10.9080 10.9080 11.0042 11.0042 11.4604 11.4604 11.4996 11.4996 11.5070 11.5070 k = 0.3333 0.5774 0.1088 ( 14925 PWs) bands (ev): -0.9080 -0.9080 -0.8960 -0.8960 -0.8930 -0.8930 -0.0437 -0.0437 0.5575 0.5575 0.5604 0.5604 1.0013 1.0013 2.8480 2.8480 4.9074 4.9074 4.9225 4.9225 5.0155 5.0155 5.2295 5.2295 5.2827 5.2827 5.7407 5.7407 5.8306 5.8306 5.9353 5.9353 6.4668 6.4668 6.6925 6.6925 6.7992 6.7992 6.8009 6.8009 6.9442 6.9442 6.9880 6.9880 7.1821 7.1821 7.4476 7.4476 7.4526 7.4526 7.7923 7.7923 7.9821 7.9821 8.0121 8.0121 8.2029 8.2029 8.3645 8.3645 8.3654 8.3654 8.7290 8.7290 8.8342 8.8342 9.0274 9.0274 9.0520 9.0520 9.6926 9.6926 9.7271 9.7271 9.9135 9.9135 10.0179 10.0179 10.2997 10.2997 10.3736 10.3736 10.8198 10.8198 10.9228 10.9228 10.9764 10.9764 11.4500 11.4500 11.4557 11.4557 11.5083 11.5083 k = 0.3333 0.5774 0.1360 ( 14931 PWs) bands (ev): -0.8964 -0.8964 -0.8844 -0.8844 -0.8815 -0.8815 -0.0394 -0.0394 0.5497 0.5497 0.5526 0.5526 1.0001 1.0001 2.7902 2.7902 4.8881 4.8881 4.8971 4.8971 5.0724 5.0724 5.2189 5.2189 5.2790 5.2790 5.7770 5.7770 5.8237 5.8237 5.9349 5.9349 6.4718 6.4718 6.7021 6.7021 6.7854 6.7854 6.8412 6.8412 6.9361 6.9361 6.9991 6.9991 7.1718 7.1718 7.4269 7.4269 7.4278 7.4278 7.7414 7.7414 8.0117 8.0117 8.0417 8.0417 8.2323 8.2323 8.3560 8.3560 8.3578 8.3578 8.7298 8.7298 8.8611 8.8611 9.0572 9.0572 9.0825 9.0825 9.6829 9.6829 9.7139 9.7139 9.9235 9.9235 10.0262 10.0262 10.3046 10.3046 10.3710 10.3710 10.7952 10.7952 10.9107 10.9107 10.9797 10.9797 11.3958 11.3958 11.3987 11.3987 11.5602 11.5602 k = 0.3333 0.5774 0.1632 ( 14919 PWs) bands (ev): -0.8824 -0.8824 -0.8703 -0.8703 -0.8673 -0.8673 -0.0343 -0.0343 0.5400 0.5400 0.5429 0.5429 0.9987 0.9987 2.7244 2.7244 4.8639 4.8639 4.8676 4.8676 5.1338 5.1338 5.2112 5.2112 5.2822 5.2822 5.8026 5.8026 5.8150 5.8150 5.9497 5.9497 6.4769 6.4769 6.7089 6.7089 6.7691 6.7691 6.8810 6.8810 6.9282 6.9282 7.0061 7.0061 7.1612 7.1612 7.4078 7.4078 7.4103 7.4103 7.6880 7.6880 8.0434 8.0434 8.0734 8.0734 8.2623 8.2623 8.3459 8.3459 8.3488 8.3488 8.7335 8.7335 8.8905 8.8905 9.0924 9.0924 9.1184 9.1184 9.6735 9.6735 9.7005 9.7005 9.9331 9.9331 10.0336 10.0336 10.3108 10.3108 10.3680 10.3680 10.7659 10.7659 10.8767 10.8767 11.0094 11.0094 11.3405 11.3405 11.3409 11.3409 11.6153 11.6153 k = 0.3333 0.5774 0.1904 ( 14925 PWs) bands (ev): -0.8659 -0.8659 -0.8537 -0.8537 -0.8508 -0.8508 -0.0286 -0.0286 0.5284 0.5284 0.5312 0.5312 0.9972 0.9972 2.6525 2.6525 4.8355 4.8355 4.8368 4.8368 5.1873 5.1873 5.2063 5.2063 5.3013 5.3013 5.7760 5.7760 5.8537 5.8537 5.9725 5.9725 6.4820 6.4820 6.7119 6.7119 6.7505 6.7505 6.8888 6.8888 6.9472 6.9472 7.0053 7.0053 7.1505 7.1505 7.3965 7.3965 7.4006 7.4006 7.6347 7.6347 8.0767 8.0767 8.1065 8.1065 8.2924 8.2924 8.3348 8.3348 8.3388 8.3388 8.7397 8.7397 8.9222 8.9222 9.1324 9.1324 9.1590 9.1590 9.6649 9.6649 9.6871 9.6871 9.9420 9.9420 10.0401 10.0401 10.3177 10.3177 10.3648 10.3648 10.7328 10.7328 10.8396 10.8396 11.0464 11.0464 11.2859 11.2859 11.2879 11.2879 11.6717 11.6717 k = 0.3333 0.5774 0.2176 ( 14931 PWs) bands (ev): -0.8470 -0.8470 -0.8347 -0.8347 -0.8317 -0.8317 -0.0225 -0.0225 0.5148 0.5148 0.5176 0.5176 0.9956 0.9956 2.5761 2.5761 4.8024 4.8024 4.8082 4.8082 5.2034 5.2034 5.2174 5.2174 5.3478 5.3478 5.7506 5.7506 5.8923 5.8923 5.9988 5.9988 6.4875 6.4875 6.7104 6.7104 6.7297 6.7297 6.8661 6.8661 6.9871 6.9871 6.9942 6.9942 7.1394 7.1394 7.3963 7.3963 7.3996 7.3996 7.5850 7.5850 8.1108 8.1108 8.1403 8.1403 8.3174 8.3174 8.3284 8.3284 8.3284 8.3284 8.7486 8.7486 8.9558 8.9558 9.1765 9.1765 9.2035 9.2035 9.6566 9.6566 9.6737 9.6737 9.9505 9.9505 10.0463 10.0463 10.3251 10.3251 10.3612 10.3612 10.6966 10.6966 10.8029 10.8029 11.0860 11.0860 11.2367 11.2367 11.2413 11.2413 11.7240 11.7241 k = 0.3333 0.5774 0.2448 ( 14928 PWs) bands (ev): -0.8258 -0.8258 -0.8133 -0.8133 -0.8103 -0.8103 -0.0161 -0.0161 0.4992 0.4992 0.5019 0.5019 0.9940 0.9940 2.4966 2.4966 4.7697 4.7697 4.7796 4.7796 5.2019 5.2019 5.2295 5.2295 5.4107 5.4107 5.7321 5.7321 5.9307 5.9307 6.0266 6.0266 6.4933 6.4933 6.7040 6.7040 6.7072 6.7072 6.8345 6.8345 6.9729 6.9729 7.0220 7.0220 7.1267 7.1267 7.4065 7.4065 7.4077 7.4077 7.5439 7.5439 8.1455 8.1455 8.1742 8.1742 8.3094 8.3094 8.3191 8.3191 8.3552 8.3552 8.7599 8.7599 8.9908 8.9908 9.2238 9.2238 9.2511 9.2511 9.6481 9.6481 9.6597 9.6597 9.9595 9.9595 10.0531 10.0531 10.3322 10.3322 10.3575 10.3575 10.6586 10.6586 10.7678 10.7678 11.1245 11.1245 11.1954 11.1954 11.2034 11.2034 11.7220 11.7220 k = 0.3333 0.5774 0.2719 ( 14916 PWs) bands (ev): -0.8023 -0.8023 -0.7895 -0.7895 -0.7866 -0.7866 -0.0097 -0.0097 0.4814 0.4814 0.4840 0.4840 0.9926 0.9926 2.4150 2.4150 4.7385 4.7385 4.7520 4.7520 5.2007 5.2007 5.2348 5.2348 5.4696 5.4696 5.7288 5.7288 5.9686 5.9686 6.0552 6.0552 6.4997 6.4997 6.6830 6.6830 6.6923 6.6923 6.7991 6.7991 6.9434 6.9434 7.0431 7.0431 7.1107 7.1107 7.4239 7.4239 7.4240 7.4240 7.5177 7.5177 8.1800 8.1800 8.2068 8.2068 8.2997 8.2997 8.3132 8.3132 8.3859 8.3859 8.7735 8.7735 9.0267 9.0267 9.2732 9.2732 9.3005 9.3005 9.6383 9.6383 9.6444 9.6444 9.9702 9.9702 10.0620 10.0620 10.3388 10.3388 10.3539 10.3539 10.6197 10.6197 10.7350 10.7350 11.1504 11.1504 11.1634 11.1634 11.1839 11.1839 11.6731 11.6731 k = 0.3333 0.5774 0.2991 ( 14895 PWs) bands (ev): -0.7766 -0.7766 -0.7635 -0.7635 -0.7606 -0.7606 -0.0037 -0.0037 0.4614 0.4614 0.4639 0.4639 0.9915 0.9915 2.3323 2.3323 4.7098 4.7098 4.7265 4.7265 5.1992 5.1992 5.2372 5.2372 5.5082 5.5082 5.7516 5.7516 6.0060 6.0060 6.0842 6.0842 6.5066 6.5066 6.6576 6.6576 6.6737 6.6737 6.7645 6.7645 6.9089 6.9089 7.0465 7.0465 7.0889 7.0889 7.4442 7.4442 7.4465 7.4465 7.5111 7.5111 8.2127 8.2127 8.2349 8.2349 8.2949 8.2949 8.3156 8.3156 8.4169 8.4169 8.7893 8.7893 9.0631 9.0631 9.3234 9.3234 9.3505 9.3505 9.6260 9.6260 9.6270 9.6270 9.9844 9.9844 10.0747 10.0747 10.3447 10.3447 10.3509 10.3509 10.5814 10.5814 10.7051 10.7051 11.1413 11.1413 11.1423 11.1423 11.2010 11.2010 11.6191 11.6191 k = 0.3333 0.5774 0.3263 ( 14910 PWs) bands (ev): -0.7489 -0.7489 -0.7353 -0.7353 -0.7324 -0.7324 0.0018 0.0018 0.4391 0.4391 0.4416 0.4416 0.9909 0.9909 2.2493 2.2493 4.6842 4.6842 4.7038 4.7038 5.1966 5.1966 5.2376 5.2376 5.5218 5.5218 5.8020 5.8020 6.0429 6.0429 6.1135 6.1135 6.5140 6.5140 6.6313 6.6313 6.6463 6.6463 6.7356 6.7356 6.8719 6.8719 7.0324 7.0324 7.0615 7.0615 7.4628 7.4628 7.4713 7.4713 7.5245 7.5245 8.2389 8.2389 8.2540 8.2540 8.3016 8.3016 8.3328 8.3328 8.4486 8.4486 8.8071 8.8071 9.0991 9.0991 9.3726 9.3726 9.3992 9.3992 9.6072 9.6072 9.6101 9.6101 10.0038 10.0038 10.0928 10.0928 10.3492 10.3492 10.3502 10.3502 10.5447 10.5447 10.6785 10.6785 11.1293 11.1293 11.1324 11.1324 11.2172 11.2172 11.5612 11.5612 k = 0.3333 0.5774 0.3535 ( 14910 PWs) bands (ev): -0.7192 -0.7192 -0.7050 -0.7050 -0.7022 -0.7022 0.0064 0.0064 0.4146 0.4146 0.4170 0.4170 0.9910 0.9910 2.1666 2.1666 4.6625 4.6625 4.6846 4.6846 5.1922 5.1922 5.2357 5.2357 5.5205 5.5205 5.8681 5.8681 6.0794 6.0794 6.1427 6.1427 6.5217 6.5217 6.6048 6.6048 6.6112 6.6112 6.7143 6.7143 6.8347 6.8347 6.9996 6.9996 7.0366 7.0366 7.4759 7.4759 7.4898 7.4898 7.5562 7.5562 8.2547 8.2547 8.2665 8.2665 8.3259 8.3259 8.3642 8.3642 8.4813 8.4813 8.8269 8.8269 9.1343 9.1343 9.4178 9.4178 9.4439 9.4439 9.5858 9.5858 9.5905 9.5905 10.0302 10.0302 10.1174 10.1174 10.3498 10.3498 10.3563 10.3563 10.5110 10.5110 10.6559 10.6559 11.1268 11.1268 11.1301 11.1301 11.2165 11.2165 11.5015 11.5015 k = 0.3333 0.5774 0.3807 ( 14898 PWs) bands (ev): -0.6876 -0.6876 -0.6727 -0.6727 -0.6698 -0.6698 0.0097 0.0097 0.3878 0.3878 0.3902 0.3902 0.9922 0.9922 2.0849 2.0849 4.6450 4.6450 4.6694 4.6694 5.1854 5.1854 5.2311 5.2311 5.5142 5.5142 5.9374 5.9374 6.1152 6.1152 6.1713 6.1713 6.5282 6.5282 6.5744 6.5744 6.5786 6.5786 6.6992 6.6992 6.7988 6.7988 6.9561 6.9561 7.0148 7.0148 7.4806 7.4806 7.4982 7.4982 7.5992 7.5992 8.2677 8.2677 8.2803 8.2803 8.3618 8.3618 8.4038 8.4038 8.5161 8.5161 8.8486 8.8486 9.1677 9.1677 9.4527 9.4527 9.4799 9.4799 9.5671 9.5671 9.5699 9.5699 10.0646 10.0646 10.1495 10.1495 10.3537 10.3537 10.3642 10.3642 10.4813 10.4813 10.6379 10.6379 11.1325 11.1325 11.1350 11.1350 11.1923 11.1923 11.4440 11.4440 k = 0.3333 0.5774 0.4079 ( 14913 PWs) bands (ev): -0.6543 -0.6543 -0.6385 -0.6385 -0.6356 -0.6356 0.0113 0.0113 0.3588 0.3588 0.3611 0.3611 0.9948 0.9948 2.0045 2.0045 4.6319 4.6319 4.6584 4.6584 5.1756 5.1756 5.2234 5.2234 5.5078 5.5078 6.0021 6.0021 6.1502 6.1502 6.1979 6.1979 6.5197 6.5197 6.5537 6.5537 6.5539 6.5539 6.6887 6.6887 6.7655 6.7655 6.9132 6.9132 6.9932 6.9932 7.4752 7.4752 7.4964 7.4964 7.6447 7.6447 8.2852 8.2852 8.2994 8.2994 8.4031 8.4031 8.4483 8.4483 8.5543 8.5543 8.8719 8.8719 9.1986 9.1986 9.4635 9.4635 9.4935 9.4935 9.5601 9.5601 9.5631 9.5631 10.1077 10.1077 10.1894 10.1894 10.3619 10.3619 10.3754 10.3754 10.4569 10.4569 10.6251 10.6251 11.1390 11.1390 11.1451 11.1451 11.1494 11.1494 11.3921 11.3921 k = 0.3333 0.5774 0.4351 ( 14907 PWs) bands (ev): -0.6194 -0.6194 -0.6024 -0.6024 -0.5996 -0.5996 0.0107 0.0107 0.3275 0.3275 0.3299 0.3299 0.9992 0.9992 1.9258 1.9258 4.6236 4.6236 4.6520 4.6520 5.1624 5.1624 5.2121 5.2121 5.5038 5.5038 6.0569 6.0569 6.1839 6.1839 6.2197 6.2197 6.4899 6.4899 6.5308 6.5308 6.5593 6.5593 6.6823 6.6823 6.7357 6.7357 6.8785 6.8785 6.9713 6.9713 7.4593 7.4593 7.4842 7.4842 7.6869 7.6869 8.3095 8.3095 8.3249 8.3249 8.4476 8.4476 8.4962 8.4962 8.5977 8.5977 8.8968 8.8968 9.2262 9.2262 9.4454 9.4454 9.4740 9.4740 9.5708 9.5708 9.5774 9.5774 10.1591 10.1591 10.2372 10.2372 10.3742 10.3742 10.3917 10.3917 10.4392 10.4392 10.6182 10.6182 11.0692 11.0692 11.1628 11.1628 11.1631 11.1631 11.3452 11.3452 k = 0.3333 0.5774 0.4623 ( 14904 PWs) bands (ev): -0.5831 -0.5831 -0.5647 -0.5647 -0.5619 -0.5619 0.0078 0.0078 0.2942 0.2942 0.2965 0.2965 1.0056 1.0056 1.8493 1.8493 4.6202 4.6202 4.6504 4.6504 5.1455 5.1455 5.1968 5.1968 5.5033 5.5033 6.0970 6.0970 6.2157 6.2157 6.2343 6.2343 6.4620 6.4620 6.5107 6.5107 6.5689 6.5689 6.6804 6.6804 6.7105 6.7105 6.8596 6.8596 6.9497 6.9497 7.4335 7.4335 7.4623 7.4623 7.7214 7.7214 8.3403 8.3403 8.3563 8.3563 8.4946 8.4946 8.5468 8.5468 8.6481 8.6481 8.9231 8.9231 9.2498 9.2498 9.4132 9.4132 9.4401 9.4401 9.5831 9.5831 9.5941 9.5941 10.2178 10.2178 10.2926 10.2926 10.3865 10.3865 10.4142 10.4142 10.4332 10.4332 10.6178 10.6178 10.9834 10.9834 11.1819 11.1819 11.1836 11.1836 11.3003 11.3003 k = 0.3333 0.5774 0.4895 ( 14913 PWs) bands (ev): -0.5456 -0.5456 -0.5253 -0.5253 -0.5225 -0.5225 0.0020 0.0020 0.2588 0.2588 0.2610 0.2610 1.0145 1.0145 1.7752 1.7752 4.6216 4.6216 4.6535 4.6535 5.1248 5.1248 5.1774 5.1774 5.5070 5.5070 6.1172 6.1172 6.2429 6.2429 6.2444 6.2444 6.4400 6.4400 6.4938 6.4938 6.5771 6.5771 6.6832 6.6832 6.6914 6.6914 6.8625 6.8625 6.9290 6.9290 7.3992 7.3992 7.4317 7.4317 7.7452 7.7452 8.3766 8.3766 8.3924 8.3924 8.5436 8.5436 8.5992 8.5992 8.7069 8.7069 8.9506 8.9506 9.2687 9.2687 9.3761 9.3761 9.4018 9.4018 9.5879 9.5879 9.6042 9.6042 10.2798 10.2798 10.3550 10.3550 10.3902 10.3902 10.4439 10.4439 10.4479 10.4479 10.6246 10.6246 10.8919 10.8919 11.2006 11.2006 11.2053 11.2053 11.2558 11.2558 k = 0.3333 0.5774 0.5167 ( 14895 PWs) bands (ev): -0.5071 -0.5071 -0.4845 -0.4845 -0.4818 -0.4818 -0.0070 -0.0070 0.2214 0.2214 0.2237 0.2237 1.0262 1.0262 1.7037 1.7037 4.6278 4.6278 4.6614 4.6614 5.1003 5.1003 5.1537 5.1537 5.5152 5.5152 6.1128 6.1128 6.2517 6.2517 6.2693 6.2693 6.4222 6.4222 6.4798 6.4798 6.5829 6.5829 6.6802 6.6802 6.6903 6.6903 6.8865 6.8865 6.9127 6.9127 7.3578 7.3578 7.3941 7.3941 7.7563 7.7563 8.4168 8.4168 8.4318 8.4318 8.5940 8.5940 8.6523 8.6523 8.7750 8.7750 8.9790 8.9790 9.2823 9.2823 9.3380 9.3380 9.3624 9.3624 9.5834 9.5834 9.6047 9.6047 10.3264 10.3264 10.4017 10.4017 10.4229 10.4229 10.4795 10.4795 10.4813 10.4813 10.6389 10.6389 10.8038 10.8038 11.2002 11.2002 11.2253 11.2253 11.2275 11.2275 k = 0.3333 0.5774 0.5439 ( 14913 PWs) bands (ev): -0.4679 -0.4679 -0.4424 -0.4424 -0.4398 -0.4398 -0.0192 -0.0192 0.1823 0.1823 0.1846 0.1846 1.0411 1.0411 1.6351 1.6351 4.6388 4.6388 4.6740 4.6740 5.0723 5.0723 5.1261 5.1261 5.5283 5.5283 6.0869 6.0869 6.2629 6.2629 6.2896 6.2896 6.4063 6.4063 6.4678 6.4678 6.5881 6.5881 6.6788 6.6788 6.7010 6.7010 6.8874 6.8874 6.9418 6.9418 7.3110 7.3110 7.3511 7.3511 7.7538 7.7538 8.4594 8.4594 8.4734 8.4734 8.6445 8.6445 8.7041 8.7041 8.8528 8.8528 9.0083 9.0083 9.2903 9.2903 9.3015 9.3015 9.3243 9.3243 9.5700 9.5700 9.5953 9.5953 10.3180 10.3180 10.4563 10.4563 10.4937 10.4937 10.5206 10.5206 10.5270 10.5270 10.6606 10.6606 10.7303 10.7303 11.1557 11.1557 11.2370 11.2370 11.2407 11.2407 k = 0.3333 0.5774 0.5711 ( 14916 PWs) bands (ev): -0.4282 -0.4282 -0.3992 -0.3992 -0.3966 -0.3966 -0.0350 -0.0350 0.1416 0.1416 0.1439 0.1439 1.0594 1.0594 1.5696 1.5696 4.6542 4.6542 4.6911 4.6911 5.0412 5.0412 5.0949 5.0949 5.5462 5.5462 6.0473 6.0473 6.2740 6.2740 6.3056 6.3056 6.3912 6.3912 6.4560 6.4560 6.5953 6.5953 6.6887 6.6887 6.7134 6.7134 6.8748 6.8748 7.0021 7.0021 7.2601 7.2601 7.3041 7.3041 7.7382 7.7382 8.5034 8.5034 8.5165 8.5165 8.6928 8.6928 8.7520 8.7520 8.9397 8.9397 9.0381 9.0381 9.2696 9.2696 9.2877 9.2877 9.2948 9.2948 9.5484 9.5484 9.5766 9.5766 10.2690 10.2690 10.5275 10.5275 10.5600 10.5600 10.5696 10.5696 10.5858 10.5858 10.6785 10.6785 10.6955 10.6955 11.1063 11.1063 11.2428 11.2428 11.2488 11.2488 k = 0.3333 0.5774 0.5983 ( 14898 PWs) bands (ev): -0.3882 -0.3882 -0.3550 -0.3550 -0.3524 -0.3524 -0.0542 -0.0542 0.0995 0.0995 0.1018 0.1018 1.0812 1.0812 1.5073 1.5073 4.6739 4.6739 4.7124 4.7124 5.0074 5.0074 5.0607 5.0607 5.5689 5.5689 6.0003 6.0003 6.2835 6.2835 6.3182 6.3182 6.3770 6.3770 6.4435 6.4435 6.6053 6.6053 6.7099 6.7099 6.7242 6.7242 6.8684 6.8684 7.0714 7.0714 7.2064 7.2064 7.2545 7.2545 7.7104 7.7104 8.5479 8.5479 8.5602 8.5602 8.7355 8.7355 8.7918 8.7918 9.0346 9.0346 9.0686 9.0686 9.2461 9.2461 9.2613 9.2613 9.2906 9.2906 9.5199 9.5199 9.5497 9.5497 10.1899 10.1899 10.5917 10.5917 10.6181 10.6181 10.6296 10.6296 10.6576 10.6576 10.6686 10.6686 10.7297 10.7297 11.0557 11.0557 11.2394 11.2394 11.2475 11.2475 k = 0.3333 0.5774 0.6255 ( 14898 PWs) bands (ev): -0.3484 -0.3484 -0.3100 -0.3100 -0.3074 -0.3074 -0.0769 -0.0769 0.0561 0.0561 0.0584 0.0584 1.1068 1.1068 1.4483 1.4483 4.6976 4.6976 4.7377 4.7377 4.9717 4.9717 5.0241 5.0241 5.5964 5.5964 5.9497 5.9497 6.2914 6.2914 6.3290 6.3290 6.3637 6.3637 6.4299 6.4299 6.6183 6.6183 6.7290 6.7290 6.7411 6.7411 6.8733 6.8733 7.1447 7.1447 7.1508 7.1508 7.2038 7.2038 7.6719 7.6719 8.5921 8.5921 8.6040 8.6040 8.7681 8.7681 8.8185 8.8185 9.0971 9.0971 9.1379 9.1379 9.2356 9.2356 9.2443 9.2443 9.2829 9.2829 9.4860 9.4860 9.5158 9.5158 10.0895 10.0895 10.6366 10.6366 10.6749 10.6749 10.6856 10.6856 10.7039 10.7039 10.7306 10.7306 10.7737 10.7737 11.0050 11.0050 11.2264 11.2264 11.2372 11.2372 k = 0.3333 0.5774 0.6527 ( 14883 PWs) bands (ev): -0.3090 -0.3090 -0.2643 -0.2643 -0.2618 -0.2618 -0.1028 -0.1028 0.0118 0.0118 0.0140 0.0140 1.1363 1.1363 1.3927 1.3927 4.7248 4.7248 4.7666 4.7666 4.9347 4.9347 4.9859 4.9859 5.6285 5.6285 5.8980 5.8980 6.2984 6.2984 6.3392 6.3392 6.3515 6.3515 6.4156 6.4156 6.6334 6.6334 6.7254 6.7254 6.7801 6.7801 6.8917 6.8917 7.0942 7.0942 7.1510 7.1510 7.2213 7.2213 7.6242 7.6242 8.6353 8.6353 8.6475 8.6475 8.7863 8.7863 8.8282 8.8282 9.1269 9.1269 9.2315 9.2315 9.2418 9.2418 9.2499 9.2499 9.2752 9.2752 9.4490 9.4490 9.4765 9.4765 9.9767 9.9767 10.6698 10.6698 10.7300 10.7300 10.7313 10.7313 10.7721 10.7721 10.7971 10.7971 10.8234 10.8234 10.9561 10.9561 11.2065 11.2065 11.2219 11.2219 k = 0.3333 0.5774 0.6799 ( 14889 PWs) bands (ev): -0.2704 -0.2704 -0.2182 -0.2182 -0.2157 -0.2157 -0.1317 -0.1317 -0.0335 -0.0335 -0.0312 -0.0312 1.1695 1.1695 1.3407 1.3407 4.7551 4.7551 4.7986 4.7986 4.8972 4.8972 4.9470 4.9470 5.6650 5.6650 5.8466 5.8466 6.3053 6.3053 6.3402 6.3402 6.3498 6.3498 6.4011 6.4011 6.6498 6.6498 6.7149 6.7149 6.8250 6.8250 6.9216 6.9216 7.0376 7.0376 7.1001 7.1001 7.2962 7.2962 7.5689 7.5689 8.6767 8.6767 8.6900 8.6900 8.7878 8.7878 8.8204 8.8204 9.1555 9.1555 9.2491 9.2491 9.2533 9.2533 9.2646 9.2646 9.3507 9.3507 9.4216 9.4216 9.4332 9.4332 9.8574 9.8574 10.7047 10.7047 10.7759 10.7759 10.7851 10.7851 10.8291 10.8291 10.8481 10.8481 10.8699 10.8699 10.9192 10.9192 11.1584 11.1584 11.1920 11.1921 k = 0.3333 0.5774 0.7071 ( 14886 PWs) bands (ev): -0.2330 -0.2330 -0.1719 -0.1719 -0.1695 -0.1695 -0.1632 -0.1632 -0.0793 -0.0793 -0.0769 -0.0769 1.2067 1.2067 1.2923 1.2923 4.7881 4.7881 4.8332 4.8332 4.8598 4.8598 4.9081 4.9081 5.7055 5.7055 5.7969 5.7969 6.3126 6.3126 6.3300 6.3300 6.3612 6.3612 6.3870 6.3870 6.6669 6.6669 6.7005 6.7005 6.8743 6.8743 6.9596 6.9596 6.9815 6.9815 7.0504 7.0504 7.3697 7.3697 7.5072 7.5072 8.7150 8.7150 8.7305 8.7305 8.7739 8.7739 8.7987 8.7987 9.1827 9.1827 9.2310 9.2310 9.2784 9.2784 9.2997 9.2997 9.3511 9.3511 9.3877 9.3877 9.4962 9.4962 9.7355 9.7355 10.7434 10.7434 10.8034 10.8034 10.8321 10.8321 10.8595 10.8595 10.8688 10.8688 10.8724 10.8724 10.9521 10.9521 11.0852 11.0852 11.1889 11.1890 k = 0.3333 0.5774 0.7343 ( 14886 PWs) bands (ev): -0.1972 -0.1972 -0.1972 -0.1972 -0.1255 -0.1255 -0.1255 -0.1255 -0.1231 -0.1231 -0.1231 -0.1231 1.2476 1.2476 1.2476 1.2476 4.8232 4.8232 4.8232 4.8232 4.8700 4.8700 4.8700 4.8700 5.7496 5.7496 5.7496 5.7496 6.3209 6.3209 6.3209 6.3209 6.3736 6.3736 6.3736 6.3736 6.6841 6.6841 6.6841 6.6841 6.9268 6.9268 6.9268 6.9268 7.0032 7.0032 7.0032 7.0032 7.4405 7.4405 7.4405 7.4405 8.7484 8.7484 8.7484 8.7484 8.7675 8.7675 8.7675 8.7675 9.2080 9.2080 9.2080 9.2080 9.3136 9.3136 9.3136 9.3136 9.3422 9.3422 9.3422 9.3422 9.6138 9.6138 9.6138 9.6138 10.7825 10.7825 10.7825 10.7825 10.8647 10.8647 10.8647 10.8647 10.8685 10.8685 10.8685 10.8685 11.0156 11.0156 11.0156 11.0156 11.2116 11.2116 Writing output data file Zr5GeSb3.save init_run : 0.71s CPU 0.82s WALL ( 1 calls) electrons : 1192.51s CPU 1201.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 1192.50s CPU 1201.74s 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 : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.16s WALL ( 210 calls) cegterg : 1113.63s CPU 1121.45s WALL ( 925 calls) Called by sum_band: Called by *egterg: h_psi : 629.16s CPU 636.56s WALL ( 17992 calls) s_psi : 48.06s CPU 48.07s WALL ( 17992 calls) g_psi : 1.05s CPU 1.14s WALL ( 16857 calls) cdiaghg : 371.83s CPU 372.30s WALL ( 17067 calls) cegterg:over : 51.70s CPU 51.87s WALL ( 16857 calls) cegterg:upda : 43.43s CPU 43.58s WALL ( 16857 calls) cegterg:last : 21.20s CPU 21.22s WALL ( 1932 calls) cdiaghg:chol : 16.75s CPU 16.64s WALL ( 17067 calls) cdiaghg:inve : 12.20s CPU 12.43s WALL ( 17067 calls) cdiaghg:para : 24.49s CPU 24.26s WALL ( 34134 calls) Called by h_psi: h_psi:vloc : 513.71s CPU 520.84s WALL ( 17992 calls) h_psi:vnl : 114.03s CPU 114.34s WALL ( 17992 calls) add_vuspsi : 57.83s CPU 58.09s WALL ( 17992 calls) General routines calbec : 56.10s CPU 56.19s WALL ( 17992 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 495.85s CPU 502.75s WALL ( 2188956 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.53s WALL ( 420 calls) Parallel routines fft_scatter : 268.06s CPU 271.16s WALL ( 2188979 calls) PWSCF : 20m46.98s CPU 21m13.87s WALL This run was terminated on: 22:13:21 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=