Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:36:30 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: ./Zr5SiSb3.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 14 2117 1586 232 Max 61 51 15 2121 1605 236 Sum 4381 3619 1015 152513 114749 16867 bravais-lattice index = 14 lattice parameter (alat) = 16.1923 a.u. unit-cell volume = 2400.0636 (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)= 16.192306 celldm(2)= 1.000000 celldm(3)= 0.652779 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 0.652779 ) 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 1.531913 ) PseudoPot. # 1 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. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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 ) ( 0.3263894 ) 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= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0046296 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0046296 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0046296 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0046296 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0046296 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0046296 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0046296 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0046296 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0046296 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0046296 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0046296 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0046296 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0046296 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0046296 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0046296 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0046296 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0046296 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0046296 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046296 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046296 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0046296 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0046296 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0046296 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0046296 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0046296 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0046296 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0046296 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0046296 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0046296 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0046296 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0046296 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0046296 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046296 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046296 k( 39) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0046296 k( 40) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0046296 k( 41) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0046296 k( 47) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0046296 k( 48) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0046296 k( 49) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0046296 k( 50) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0046296 k( 51) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0046296 k( 52) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0046296 k( 53) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0046296 k( 54) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0046296 k( 55) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0046296 k( 56) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0046296 k( 57) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0046296 k( 58) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0046296 k( 59) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0046296 k( 60) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0046296 k( 61) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0046296 k( 62) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0046296 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 65) = ( 0.0000000 0.0000000 0.0264123), wk = 0.0046296 k( 66) = ( 0.0000000 0.0000000 0.0528246), wk = 0.0046296 k( 67) = ( 0.0000000 0.0000000 0.0792369), wk = 0.0046296 k( 68) = ( 0.0000000 0.0000000 0.1056491), wk = 0.0046296 k( 69) = ( 0.0000000 0.0000000 0.1320614), wk = 0.0046296 k( 70) = ( 0.0000000 0.0000000 0.1584737), wk = 0.0046296 k( 71) = ( 0.0000000 0.0000000 0.1848860), wk = 0.0046296 k( 72) = ( 0.0000000 0.0000000 0.2112983), wk = 0.0046296 k( 73) = ( 0.0000000 0.0000000 0.2377106), wk = 0.0046296 k( 74) = ( 0.0000000 0.0000000 0.2641229), wk = 0.0046296 k( 75) = ( 0.0000000 0.0000000 0.2905351), wk = 0.0046296 k( 76) = ( 0.0000000 0.0000000 0.3169474), wk = 0.0046296 k( 77) = ( 0.0000000 0.0000000 0.3433597), wk = 0.0046296 k( 78) = ( 0.0000000 0.0000000 0.3697720), wk = 0.0046296 k( 79) = ( 0.0000000 0.0000000 0.3961843), wk = 0.0046296 k( 80) = ( 0.0000000 0.0000000 0.4225966), wk = 0.0046296 k( 81) = ( 0.0000000 0.0000000 0.4490089), wk = 0.0046296 k( 82) = ( 0.0000000 0.0000000 0.4754212), wk = 0.0046296 k( 83) = ( 0.0000000 0.0000000 0.5018334), wk = 0.0046296 k( 84) = ( 0.0000000 0.0000000 0.5282457), wk = 0.0046296 k( 85) = ( 0.0000000 0.0000000 0.5546580), wk = 0.0046296 k( 86) = ( 0.0000000 0.0000000 0.5810703), wk = 0.0046296 k( 87) = ( 0.0000000 0.0000000 0.6074826), wk = 0.0046296 k( 88) = ( 0.0000000 0.0000000 0.6338949), wk = 0.0046296 k( 89) = ( 0.0000000 0.0000000 0.6603072), wk = 0.0046296 k( 90) = ( 0.0000000 0.0000000 0.6867194), wk = 0.0046296 k( 91) = ( 0.0000000 0.0000000 0.7131317), wk = 0.0046296 k( 92) = ( 0.0000000 0.0000000 0.7395440), wk = 0.0046296 k( 93) = ( 0.0000000 0.0000000 0.7659563), wk = 0.0046296 k( 94) = ( 0.0000000 0.0000000 0.7659563), wk = 0.0046296 k( 95) = ( 0.0227273 0.0131216 0.7659563), wk = 0.0046296 k( 96) = ( 0.0454546 0.0262432 0.7659563), wk = 0.0046296 k( 97) = ( 0.0681818 0.0393648 0.7659563), wk = 0.0046296 k( 98) = ( 0.0909091 0.0524864 0.7659563), wk = 0.0046296 k( 99) = ( 0.1136364 0.0656080 0.7659563), wk = 0.0046296 k( 100) = ( 0.1363636 0.0787296 0.7659563), wk = 0.0046296 k( 101) = ( 0.1590909 0.0918512 0.7659563), wk = 0.0046296 k( 102) = ( 0.1818182 0.1049728 0.7659563), wk = 0.0046296 k( 103) = ( 0.2045454 0.1180944 0.7659563), wk = 0.0046296 k( 104) = ( 0.2272727 0.1312160 0.7659563), wk = 0.0046296 k( 105) = ( 0.2500000 0.1443376 0.7659563), wk = 0.0046296 k( 106) = ( 0.2727273 0.1574592 0.7659563), wk = 0.0046296 k( 107) = ( 0.2954545 0.1705808 0.7659563), wk = 0.0046296 k( 108) = ( 0.3181818 0.1837024 0.7659563), wk = 0.0046296 k( 109) = ( 0.3409091 0.1968240 0.7659563), wk = 0.0046296 k( 110) = ( 0.3636364 0.2099456 0.7659563), wk = 0.0046296 k( 111) = ( 0.3863636 0.2230672 0.7659563), wk = 0.0046296 k( 112) = ( 0.4090909 0.2361887 0.7659563), wk = 0.0046296 k( 113) = ( 0.4318182 0.2493103 0.7659563), wk = 0.0046296 k( 114) = ( 0.4545455 0.2624319 0.7659563), wk = 0.0046296 k( 115) = ( 0.4772727 0.2755535 0.7659563), wk = 0.0046296 k( 116) = ( 0.5000000 0.2886751 0.7659563), wk = 0.0046296 k( 117) = ( 0.5000000 0.2886751 0.7659563), wk = 0.0046296 k( 118) = ( 0.4871795 0.3108809 0.7659563), wk = 0.0046296 k( 119) = ( 0.4743590 0.3330867 0.7659563), wk = 0.0046296 k( 120) = ( 0.4615385 0.3552925 0.7659563), wk = 0.0046296 k( 121) = ( 0.4487179 0.3774983 0.7659563), wk = 0.0046296 k( 122) = ( 0.4358974 0.3997040 0.7659563), wk = 0.0046296 k( 123) = ( 0.4230769 0.4219098 0.7659563), wk = 0.0046296 k( 124) = ( 0.4102564 0.4441156 0.7659563), wk = 0.0046296 k( 125) = ( 0.3974359 0.4663214 0.7659563), wk = 0.0046296 k( 126) = ( 0.3846154 0.4885271 0.7659563), wk = 0.0046296 k( 127) = ( 0.3717949 0.5107329 0.7659563), wk = 0.0046296 k( 128) = ( 0.3589744 0.5329387 0.7659563), wk = 0.0046296 k( 129) = ( 0.3461538 0.5551445 0.7659563), wk = 0.0046296 k( 130) = ( 0.3333333 0.5773503 0.7659563), wk = 0.0046296 k( 131) = ( 0.3333333 0.5773503 0.7659563), wk = 0.0046296 k( 132) = ( 0.3200000 0.5542563 0.7659563), wk = 0.0046296 k( 133) = ( 0.3066667 0.5311623 0.7659563), wk = 0.0046296 k( 134) = ( 0.2933333 0.5080682 0.7659563), wk = 0.0046296 k( 135) = ( 0.2800000 0.4849742 0.7659563), wk = 0.0046296 k( 136) = ( 0.2666667 0.4618802 0.7659563), wk = 0.0046296 k( 137) = ( 0.2533333 0.4387862 0.7659563), wk = 0.0046296 k( 138) = ( 0.2400000 0.4156922 0.7659563), wk = 0.0046296 k( 139) = ( 0.2266667 0.3925982 0.7659563), wk = 0.0046296 k( 140) = ( 0.2133333 0.3695042 0.7659563), wk = 0.0046296 k( 141) = ( 0.2000000 0.3464102 0.7659563), wk = 0.0046296 k( 142) = ( 0.1866667 0.3233162 0.7659563), wk = 0.0046296 k( 143) = ( 0.1733333 0.3002221 0.7659563), wk = 0.0046296 k( 144) = ( 0.1600000 0.2771281 0.7659563), wk = 0.0046296 k( 145) = ( 0.1466667 0.2540341 0.7659563), wk = 0.0046296 k( 146) = ( 0.1333333 0.2309401 0.7659563), wk = 0.0046296 k( 147) = ( 0.1200000 0.2078461 0.7659563), wk = 0.0046296 k( 148) = ( 0.1066667 0.1847521 0.7659563), wk = 0.0046296 k( 149) = ( 0.0933333 0.1616581 0.7659563), wk = 0.0046296 k( 150) = ( 0.0800000 0.1385641 0.7659563), wk = 0.0046296 k( 151) = ( 0.0666667 0.1154701 0.7659563), wk = 0.0046296 k( 152) = ( 0.0533333 0.0923760 0.7659563), wk = 0.0046296 k( 153) = ( 0.0400000 0.0692820 0.7659563), wk = 0.0046296 k( 154) = ( 0.0266667 0.0461880 0.7659563), wk = 0.0046296 k( 155) = ( 0.0133333 0.0230940 0.7659563), wk = 0.0046296 k( 156) = ( 0.0000000 0.0000000 0.7659563), wk = 0.0046296 k( 157) = ( 0.5000000 0.2886751 0.7659563), wk = 0.0046296 k( 158) = ( 0.5000000 0.2886751 0.7395440), wk = 0.0046296 k( 159) = ( 0.5000000 0.2886751 0.7131317), wk = 0.0046296 k( 160) = ( 0.5000000 0.2886751 0.6867194), wk = 0.0046296 k( 161) = ( 0.5000000 0.2886751 0.6603072), wk = 0.0046296 k( 162) = ( 0.5000000 0.2886751 0.6338949), wk = 0.0046296 k( 163) = ( 0.5000000 0.2886751 0.6074826), wk = 0.0046296 k( 164) = ( 0.5000000 0.2886751 0.5810703), wk = 0.0046296 k( 165) = ( 0.5000000 0.2886751 0.5546580), wk = 0.0046296 k( 166) = ( 0.5000000 0.2886751 0.5282457), wk = 0.0046296 k( 167) = ( 0.5000000 0.2886751 0.5018334), wk = 0.0046296 k( 168) = ( 0.5000000 0.2886751 0.4754212), wk = 0.0046296 k( 169) = ( 0.5000000 0.2886751 0.4490089), wk = 0.0046296 k( 170) = ( 0.5000000 0.2886751 0.4225966), wk = 0.0046296 k( 171) = ( 0.5000000 0.2886751 0.3961843), wk = 0.0046296 k( 172) = ( 0.5000000 0.2886751 0.3697720), wk = 0.0046296 k( 173) = ( 0.5000000 0.2886751 0.3433597), wk = 0.0046296 k( 174) = ( 0.5000000 0.2886751 0.3169474), wk = 0.0046296 k( 175) = ( 0.5000000 0.2886751 0.2905351), wk = 0.0046296 k( 176) = ( 0.5000000 0.2886751 0.2641229), wk = 0.0046296 k( 177) = ( 0.5000000 0.2886751 0.2377106), wk = 0.0046296 k( 178) = ( 0.5000000 0.2886751 0.2112983), wk = 0.0046296 k( 179) = ( 0.5000000 0.2886751 0.1848860), wk = 0.0046296 k( 180) = ( 0.5000000 0.2886751 0.1584737), wk = 0.0046296 k( 181) = ( 0.5000000 0.2886751 0.1320614), wk = 0.0046296 k( 182) = ( 0.5000000 0.2886751 0.1056491), wk = 0.0046296 k( 183) = ( 0.5000000 0.2886751 0.0792369), wk = 0.0046296 k( 184) = ( 0.5000000 0.2886751 0.0528246), wk = 0.0046296 k( 185) = ( 0.5000000 0.2886751 0.0264123), wk = 0.0046296 k( 186) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046296 k( 187) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046296 k( 188) = ( 0.3333333 0.5773503 0.0264123), wk = 0.0046296 k( 189) = ( 0.3333333 0.5773503 0.0528246), wk = 0.0046296 k( 190) = ( 0.3333333 0.5773503 0.0792369), wk = 0.0046296 k( 191) = ( 0.3333333 0.5773503 0.1056491), wk = 0.0046296 k( 192) = ( 0.3333333 0.5773503 0.1320614), wk = 0.0046296 k( 193) = ( 0.3333333 0.5773503 0.1584737), wk = 0.0046296 k( 194) = ( 0.3333333 0.5773503 0.1848860), wk = 0.0046296 k( 195) = ( 0.3333333 0.5773503 0.2112983), wk = 0.0046296 k( 196) = ( 0.3333333 0.5773503 0.2377106), wk = 0.0046296 k( 197) = ( 0.3333333 0.5773503 0.2641229), wk = 0.0046296 k( 198) = ( 0.3333333 0.5773503 0.2905351), wk = 0.0046296 k( 199) = ( 0.3333333 0.5773503 0.3169474), wk = 0.0046296 k( 200) = ( 0.3333333 0.5773503 0.3433597), wk = 0.0046296 k( 201) = ( 0.3333333 0.5773503 0.3697720), wk = 0.0046296 k( 202) = ( 0.3333333 0.5773503 0.3961843), wk = 0.0046296 k( 203) = ( 0.3333333 0.5773503 0.4225966), wk = 0.0046296 k( 204) = ( 0.3333333 0.5773503 0.4490089), wk = 0.0046296 k( 205) = ( 0.3333333 0.5773503 0.4754212), wk = 0.0046296 k( 206) = ( 0.3333333 0.5773503 0.5018334), wk = 0.0046296 k( 207) = ( 0.3333333 0.5773503 0.5282457), wk = 0.0046296 k( 208) = ( 0.3333333 0.5773503 0.5546580), wk = 0.0046296 k( 209) = ( 0.3333333 0.5773503 0.5810703), wk = 0.0046296 k( 210) = ( 0.3333333 0.5773503 0.6074826), wk = 0.0046296 k( 211) = ( 0.3333333 0.5773503 0.6338949), wk = 0.0046296 k( 212) = ( 0.3333333 0.5773503 0.6603072), wk = 0.0046296 k( 213) = ( 0.3333333 0.5773503 0.6867194), wk = 0.0046296 k( 214) = ( 0.3333333 0.5773503 0.7131317), wk = 0.0046296 k( 215) = ( 0.3333333 0.5773503 0.7395440), wk = 0.0046296 k( 216) = ( 0.3333333 0.5773503 0.7659563), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0681818 -0.0000000 0.0000000), wk = 0.0046296 k( 5) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0046296 k( 6) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0046296 k( 7) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0046296 k( 8) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0046296 k( 9) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0046296 k( 10) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0046296 k( 11) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0046296 k( 12) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0046296 k( 13) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0046296 k( 14) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0046296 k( 15) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0046296 k( 16) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0046296 k( 17) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0046296 k( 18) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0046296 k( 19) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0046296 k( 20) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0046296 k( 21) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0046296 k( 22) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0046296 k( 23) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046296 k( 24) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046296 k( 25) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0046296 k( 26) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0046296 k( 27) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0046296 k( 28) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0046296 k( 29) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0046296 k( 30) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0046296 k( 31) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0046296 k( 32) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0046296 k( 33) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0046296 k( 34) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0046296 k( 35) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0046296 k( 36) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0046296 k( 37) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 38) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 39) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0046296 k( 40) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0046296 k( 41) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0046296 k( 47) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0046296 k( 48) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0046296 k( 49) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0046296 k( 50) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0046296 k( 51) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0046296 k( 52) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0046296 k( 53) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0046296 k( 54) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0046296 k( 55) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0046296 k( 56) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0046296 k( 57) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0046296 k( 58) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0046296 k( 59) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0046296 k( 60) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0046296 k( 61) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0046296 k( 62) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0046296 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 65) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0046296 k( 66) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0046296 k( 67) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0046296 k( 68) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0046296 k( 69) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0046296 k( 70) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0046296 k( 71) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0046296 k( 72) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0046296 k( 73) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0046296 k( 74) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0046296 k( 75) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0046296 k( 76) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0046296 k( 77) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0046296 k( 78) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0046296 k( 79) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0046296 k( 80) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0046296 k( 81) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0046296 k( 82) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0046296 k( 83) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0046296 k( 84) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0046296 k( 85) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0046296 k( 86) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0046296 k( 87) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0046296 k( 88) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0046296 k( 89) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0046296 k( 90) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0046296 k( 91) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0046296 k( 92) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0046296 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 95) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0046296 k( 96) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0046296 k( 97) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0046296 k( 98) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0046296 k( 99) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0046296 k( 100) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0046296 k( 101) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0046296 k( 102) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0046296 k( 103) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0046296 k( 104) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0046296 k( 105) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0046296 k( 106) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0046296 k( 107) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0046296 k( 108) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0046296 k( 109) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0046296 k( 110) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0046296 k( 111) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0046296 k( 112) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0046296 k( 113) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0046296 k( 114) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0046296 k( 115) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0046296 k( 116) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046296 k( 117) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046296 k( 118) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0046296 k( 119) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0046296 k( 120) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0046296 k( 121) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0046296 k( 122) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0046296 k( 123) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0046296 k( 124) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0046296 k( 125) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0046296 k( 126) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0046296 k( 127) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0046296 k( 128) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0046296 k( 129) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0046296 k( 130) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046296 k( 132) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0046296 k( 133) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0046296 k( 134) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0046296 k( 135) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0046296 k( 136) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0046296 k( 137) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0046296 k( 138) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0046296 k( 139) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0046296 k( 140) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0046296 k( 141) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0046296 k( 142) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0046296 k( 143) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0046296 k( 144) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0046296 k( 145) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0046296 k( 146) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0046296 k( 147) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0046296 k( 148) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0046296 k( 149) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0046296 k( 150) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0046296 k( 151) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0046296 k( 152) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0046296 k( 153) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0046296 k( 154) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0046296 k( 155) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0046296 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 157) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046296 k( 158) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0046296 k( 159) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0046296 k( 160) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0046296 k( 161) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0046296 k( 162) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0046296 k( 163) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0046296 k( 164) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0046296 k( 165) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0046296 k( 166) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0046296 k( 167) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0046296 k( 168) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0046296 k( 169) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0046296 k( 170) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0046296 k( 171) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0046296 k( 172) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0046296 k( 173) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0046296 k( 174) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0046296 k( 175) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0046296 k( 176) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0046296 k( 177) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0046296 k( 178) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0046296 k( 179) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0046296 k( 180) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0046296 k( 181) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0046296 k( 182) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0046296 k( 183) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0046296 k( 184) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0046296 k( 185) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0046296 k( 186) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0046296 k( 187) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 188) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0046296 k( 189) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0046296 k( 190) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0046296 k( 191) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0046296 k( 192) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0046296 k( 193) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0046296 k( 194) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0046296 k( 195) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0046296 k( 196) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0046296 k( 197) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0046296 k( 198) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0046296 k( 199) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0046296 k( 200) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0046296 k( 201) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0046296 k( 202) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0046296 k( 203) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0046296 k( 204) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0046296 k( 205) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0046296 k( 206) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0046296 k( 207) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0046296 k( 208) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0046296 k( 209) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0046296 k( 210) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0046296 k( 211) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0046296 k( 212) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0046296 k( 213) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0046296 k( 214) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0046296 k( 215) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0046296 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046296 Dense grid: 152513 G-vectors FFT dimensions: ( 81, 81, 54) Smooth grid: 114749 G-vectors FFT dimensions: ( 75, 75, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.58 Mb ( 402, 94) NL pseudopotentials 1.32 Mb ( 201, 432) Each V/rho on FFT grid 0.10 Mb ( 6561) Each G-vector array 0.02 Mb ( 2118) G-vector shells 0.01 Mb ( 1075) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.31 Mb ( 402, 376) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 1.24 Mb ( 432, 2, 94) The potential is recalculated from file : ./Zr5SiSb3.save/charge-density.dat Starting wfc are 244 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 17.7 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 33.3 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.7 secs Computing kpt #: 4 total cpu time spent up to now is 60.2 secs Computing kpt #: 5 total cpu time spent up to now is 70.9 secs Computing kpt #: 6 total cpu time spent up to now is 80.4 secs Computing kpt #: 7 total cpu time spent up to now is 88.9 secs Computing kpt #: 8 total cpu time spent up to now is 98.6 secs Computing kpt #: 9 total cpu time spent up to now is 107.3 secs Computing kpt #: 10 total cpu time spent up to now is 115.9 secs Computing kpt #: 11 total cpu time spent up to now is 124.8 secs Computing kpt #: 12 total cpu time spent up to now is 133.2 secs Computing kpt #: 13 total cpu time spent up to now is 141.8 secs Computing kpt #: 14 total cpu time spent up to now is 152.2 secs Computing kpt #: 15 total cpu time spent up to now is 164.2 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.9 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.4 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.5 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.4 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.6 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.3 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.6 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.0 secs Computing kpt #: 25 total cpu time spent up to now is 307.0 secs Computing kpt #: 26 total cpu time spent up to now is 316.6 secs Computing kpt #: 27 total cpu time spent up to now is 326.6 secs Computing kpt #: 28 total cpu time spent up to now is 335.1 secs Computing kpt #: 29 total cpu time spent up to now is 344.8 secs Computing kpt #: 30 total cpu time spent up to now is 353.4 secs Computing kpt #: 31 total cpu time spent up to now is 364.4 secs Computing kpt #: 32 total cpu time spent up to now is 375.0 secs Computing kpt #: 33 total cpu time spent up to now is 385.9 secs Computing kpt #: 34 total cpu time spent up to now is 398.4 secs Computing kpt #: 35 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 413.8 secs Computing kpt #: 36 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 429.7 secs Computing kpt #: 37 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 447.1 secs Computing kpt #: 38 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 463.2 secs Computing kpt #: 39 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 479.6 secs Computing kpt #: 40 total cpu time spent up to now is 492.4 secs Computing kpt #: 41 total cpu time spent up to now is 503.3 secs Computing kpt #: 42 total cpu time spent up to now is 513.3 secs Computing kpt #: 43 total cpu time spent up to now is 523.1 secs Computing kpt #: 44 total cpu time spent up to now is 532.0 secs Computing kpt #: 45 total cpu time spent up to now is 541.3 secs Computing kpt #: 46 total cpu time spent up to now is 551.0 secs Computing kpt #: 47 total cpu time spent up to now is 560.6 secs Computing kpt #: 48 total cpu time spent up to now is 570.4 secs Computing kpt #: 49 total cpu time spent up to now is 579.7 secs Computing kpt #: 50 total cpu time spent up to now is 589.3 secs Computing kpt #: 51 total cpu time spent up to now is 599.6 secs Computing kpt #: 52 total cpu time spent up to now is 609.0 secs Computing kpt #: 53 total cpu time spent up to now is 618.8 secs Computing kpt #: 54 total cpu time spent up to now is 628.6 secs Computing kpt #: 55 total cpu time spent up to now is 638.1 secs Computing kpt #: 56 total cpu time spent up to now is 649.0 secs Computing kpt #: 57 total cpu time spent up to now is 657.7 secs Computing kpt #: 58 total cpu time spent up to now is 667.1 secs Computing kpt #: 59 total cpu time spent up to now is 677.7 secs Computing kpt #: 60 total cpu time spent up to now is 693.5 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 708.9 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 725.3 secs Computing kpt #: 63 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 740.2 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 755.9 secs Computing kpt #: 65 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 771.6 secs Computing kpt #: 66 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 787.3 secs Computing kpt #: 67 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 803.9 secs Computing kpt #: 68 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 819.7 secs Computing kpt #: 69 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 835.4 secs Computing kpt #: 70 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 851.7 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 865.6 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 881.8 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 896.5 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 912.0 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.4 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 942.6 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 957.7 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 972.7 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 988.2 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1003.7 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1018.7 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1034.6 secs Computing kpt #: 83 total cpu time spent up to now is 1046.7 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1061.5 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1076.8 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1094.0 secs Computing kpt #: 87 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1111.1 secs Computing kpt #: 88 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1127.7 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1144.2 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1160.1 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1176.1 secs Computing kpt #: 92 total cpu time spent up to now is 1191.7 secs Computing kpt #: 93 total cpu time spent up to now is 1204.1 secs Computing kpt #: 94 total cpu time spent up to now is 1218.7 secs Computing kpt #: 95 total cpu time spent up to now is 1230.3 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1247.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1264.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1280.7 secs Computing kpt #: 99 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1298.1 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1315.2 secs Computing kpt #: 101 total cpu time spent up to now is 1330.3 secs Computing kpt #: 102 total cpu time spent up to now is 1347.5 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1362.9 secs Computing kpt #: 104 total cpu time spent up to now is 1375.7 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1391.4 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1406.7 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1422.1 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1437.6 secs Computing kpt #: 109 total cpu time spent up to now is 1450.0 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1464.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1480.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1495.7 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1509.9 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1524.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1540.1 secs Computing kpt #: 116 total cpu time spent up to now is 1550.8 secs Computing kpt #: 117 total cpu time spent up to now is 1561.5 secs Computing kpt #: 118 total cpu time spent up to now is 1572.6 secs Computing kpt #: 119 total cpu time spent up to now is 1582.9 secs Computing kpt #: 120 total cpu time spent up to now is 1593.7 secs Computing kpt #: 121 total cpu time spent up to now is 1603.5 secs Computing kpt #: 122 total cpu time spent up to now is 1614.7 secs Computing kpt #: 123 total cpu time spent up to now is 1625.6 secs Computing kpt #: 124 total cpu time spent up to now is 1637.1 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1651.4 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1667.5 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1685.0 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1702.6 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1719.4 secs Computing kpt #: 130 total cpu time spent up to now is 1731.0 secs Computing kpt #: 131 total cpu time spent up to now is 1742.0 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1757.2 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1771.8 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1787.2 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1800.2 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1813.2 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1826.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1839.2 secs Computing kpt #: 139 total cpu time spent up to now is 1849.9 secs Computing kpt #: 140 total cpu time spent up to now is 1859.6 secs Computing kpt #: 141 total cpu time spent up to now is 1868.6 secs Computing kpt #: 142 total cpu time spent up to now is 1878.3 secs Computing kpt #: 143 total cpu time spent up to now is 1887.6 secs Computing kpt #: 144 total cpu time spent up to now is 1897.9 secs Computing kpt #: 145 total cpu time spent up to now is 1907.6 secs Computing kpt #: 146 total cpu time spent up to now is 1917.4 secs Computing kpt #: 147 total cpu time spent up to now is 1928.4 secs Computing kpt #: 148 total cpu time spent up to now is 1940.2 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1953.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1967.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1981.2 secs Computing kpt #: 152 total cpu time spent up to now is 1993.7 secs Computing kpt #: 153 total cpu time spent up to now is 2007.3 secs Computing kpt #: 154 total cpu time spent up to now is 2020.5 secs Computing kpt #: 155 total cpu time spent up to now is 2032.2 secs Computing kpt #: 156 total cpu time spent up to now is 2042.4 secs Computing kpt #: 157 total cpu time spent up to now is 2051.5 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2063.8 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2076.9 secs Computing kpt #: 160 total cpu time spent up to now is 2086.5 secs Computing kpt #: 161 total cpu time spent up to now is 2094.1 secs Computing kpt #: 162 total cpu time spent up to now is 2102.1 secs Computing kpt #: 163 total cpu time spent up to now is 2109.3 secs Computing kpt #: 164 total cpu time spent up to now is 2117.1 secs Computing kpt #: 165 total cpu time spent up to now is 2125.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2137.6 secs Computing kpt #: 167 total cpu time spent up to now is 2145.5 secs Computing kpt #: 168 total cpu time spent up to now is 2154.3 secs Computing kpt #: 169 total cpu time spent up to now is 2163.6 secs Computing kpt #: 170 total cpu time spent up to now is 2174.3 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2187.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2201.1 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2213.9 secs Computing kpt #: 174 total cpu time spent up to now is 2224.6 secs Computing kpt #: 175 total cpu time spent up to now is 2233.6 secs Computing kpt #: 176 total cpu time spent up to now is 2244.9 secs Computing kpt #: 177 total cpu time spent up to now is 2255.7 secs Computing kpt #: 178 total cpu time spent up to now is 2265.6 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2278.7 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2290.9 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2303.6 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2315.7 secs Computing kpt #: 183 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2328.2 secs Computing kpt #: 184 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2342.4 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2354.5 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2367.8 secs Computing kpt #: 187 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2381.5 secs Computing kpt #: 188 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2395.3 secs Computing kpt #: 189 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2411.9 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2424.7 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2437.5 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2450.6 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2462.7 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2475.3 secs Computing kpt #: 195 total cpu time spent up to now is 2483.8 secs Computing kpt #: 196 total cpu time spent up to now is 2492.0 secs Computing kpt #: 197 total cpu time spent up to now is 2499.4 secs Computing kpt #: 198 total cpu time spent up to now is 2506.2 secs Computing kpt #: 199 total cpu time spent up to now is 2514.0 secs Computing kpt #: 200 total cpu time spent up to now is 2521.5 secs Computing kpt #: 201 total cpu time spent up to now is 2528.0 secs Computing kpt #: 202 total cpu time spent up to now is 2535.4 secs Computing kpt #: 203 total cpu time spent up to now is 2541.9 secs Computing kpt #: 204 total cpu time spent up to now is 2548.0 secs Computing kpt #: 205 total cpu time spent up to now is 2554.8 secs Computing kpt #: 206 total cpu time spent up to now is 2561.9 secs Computing kpt #: 207 total cpu time spent up to now is 2568.3 secs Computing kpt #: 208 total cpu time spent up to now is 2575.5 secs Computing kpt #: 209 total cpu time spent up to now is 2583.2 secs Computing kpt #: 210 total cpu time spent up to now is 2590.2 secs Computing kpt #: 211 total cpu time spent up to now is 2598.7 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2611.2 secs Computing kpt #: 213 total cpu time spent up to now is 2620.3 secs Computing kpt #: 214 total cpu time spent up to now is 2628.3 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2640.7 secs Computing kpt #: 216 total cpu time spent up to now is 2648.9 secs ethr = 1.28E-08, avg # of iterations = 88.5 total cpu time spent up to now is 2648.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14327 PWs) bands (ev): -1.4051 -1.4051 -0.2140 -0.2140 -0.2081 -0.2081 0.9216 0.9216 0.9267 0.9267 1.2961 1.2961 1.3236 1.3236 3.9775 3.9775 4.6821 4.6821 5.1611 5.1611 5.4005 5.4005 5.5052 5.5052 5.9107 5.9107 5.9546 5.9546 6.0700 6.0700 6.3187 6.3187 6.3284 6.3284 6.4675 6.4675 6.5208 6.5208 6.7001 6.7001 7.1054 7.1054 7.1843 7.1843 7.8671 7.8671 7.9239 7.9239 8.1365 8.1365 8.5817 8.5817 8.5937 8.5937 8.6548 8.6548 8.6853 8.6853 8.7406 8.7406 8.7488 8.7488 8.7576 8.7576 9.2118 9.2118 9.2761 9.2761 9.3249 9.3249 9.3309 9.3309 9.3391 9.3391 9.9599 9.9599 10.7363 10.7363 10.8177 10.8177 11.7302 11.7302 11.9393 11.9393 11.9497 11.9497 12.0133 12.0133 12.0242 12.0242 12.4261 12.4261 12.4517 12.4517 k = 0.0227 0.0131-0.0000 ( 14301 PWs) bands (ev): -1.4037 -1.4037 -0.2150 -0.2150 -0.2090 -0.2090 0.9188 0.9188 0.9259 0.9259 1.2962 1.2962 1.3270 1.3270 3.9775 3.9775 4.6834 4.6834 5.1616 5.1616 5.4015 5.4015 5.5060 5.5060 5.8940 5.8940 5.9643 5.9643 6.0692 6.0692 6.3202 6.3202 6.3339 6.3339 6.4715 6.4715 6.5187 6.5187 6.7035 6.7035 7.1043 7.1043 7.1835 7.1835 7.8673 7.8673 7.9244 7.9244 8.1349 8.1349 8.5813 8.5813 8.5933 8.5933 8.6503 8.6503 8.6883 8.6883 8.7387 8.7387 8.7482 8.7482 8.7555 8.7555 9.2124 9.2124 9.2773 9.2773 9.3223 9.3223 9.3301 9.3301 9.3388 9.3388 9.9664 9.9664 10.7351 10.7351 10.8165 10.8165 11.7297 11.7297 11.9074 11.9074 11.9790 11.9790 11.9802 11.9802 12.0534 12.0534 12.4185 12.4185 12.4419 12.4419 k = 0.0455 0.0262-0.0000 ( 14301 PWs) bands (ev): -1.3998 -1.3998 -0.2183 -0.2183 -0.2113 -0.2113 0.9072 0.9072 0.9271 0.9271 1.2966 1.2966 1.3366 1.3366 3.9775 3.9775 4.6874 4.6874 5.1630 5.1630 5.4044 5.4044 5.5083 5.5083 5.8607 5.8607 5.9786 5.9786 6.0668 6.0668 6.3240 6.3240 6.3492 6.3492 6.4831 6.4831 6.5125 6.5125 6.7141 6.7141 7.1006 7.1006 7.1815 7.1815 7.8679 7.8679 7.9258 7.9258 8.1303 8.1303 8.5799 8.5799 8.5922 8.5922 8.6366 8.6366 8.6973 8.6973 8.7323 8.7323 8.7444 8.7444 8.7527 8.7527 9.2129 9.2129 9.2815 9.2815 9.3118 9.3118 9.3318 9.3318 9.3381 9.3381 9.9852 9.9852 10.7314 10.7314 10.8128 10.8128 11.7272 11.7272 11.8697 11.8697 11.9392 11.9392 12.0095 12.0095 12.0829 12.0829 12.3968 12.3968 12.4176 12.4177 k = 0.0682 0.0394-0.0000 ( 14295 PWs) bands (ev): -1.3931 -1.3931 -0.2247 -0.2247 -0.2144 -0.2144 0.8883 0.8883 0.9302 0.9302 1.2972 1.2972 1.3513 1.3513 3.9775 3.9775 4.6940 4.6940 5.1655 5.1655 5.4088 5.4088 5.5116 5.5116 5.8224 5.8224 5.9898 5.9898 6.0635 6.0635 6.3298 6.3298 6.3705 6.3705 6.5016 6.5016 6.5029 6.5029 6.7324 6.7324 7.0934 7.0934 7.1793 7.1793 7.8689 7.8689 7.9281 7.9281 8.1227 8.1227 8.5768 8.5768 8.5908 8.5908 8.6138 8.6138 8.7120 8.7120 8.7212 8.7212 8.7335 8.7335 8.7547 8.7547 9.2095 9.2095 9.2835 9.2835 9.3033 9.3033 9.3353 9.3353 9.3373 9.3373 10.0144 10.0144 10.7251 10.7251 10.8069 10.8069 11.7201 11.7201 11.8334 11.8334 11.8968 11.8968 12.0361 12.0361 12.1080 12.1080 12.3623 12.3623 12.3881 12.3882 k = 0.0909 0.0525-0.0000 ( 14295 PWs) bands (ev): -1.3839 -1.3839 -0.2343 -0.2343 -0.2181 -0.2181 0.8642 0.8642 0.9346 0.9346 1.2980 1.2980 1.3694 1.3694 3.9776 3.9776 4.7031 4.7031 5.1688 5.1688 5.4136 5.4136 5.5154 5.5154 5.7846 5.7846 5.9961 5.9961 6.0608 6.0608 6.3374 6.3374 6.3942 6.3942 6.4900 6.4900 6.5261 6.5261 6.7589 6.7589 7.0817 7.0817 7.1782 7.1782 7.8698 7.8698 7.9315 7.9315 8.1124 8.1124 8.5707 8.5707 8.5817 8.5817 8.5911 8.5911 8.7059 8.7059 8.7181 8.7181 8.7324 8.7324 8.7595 8.7595 9.1984 9.1984 9.2702 9.2702 9.3158 9.3158 9.3343 9.3343 9.3422 9.3422 10.0517 10.0517 10.7159 10.7159 10.7988 10.7988 11.7026 11.7026 11.8011 11.8011 11.8574 11.8574 12.0579 12.0579 12.1291 12.1291 12.3181 12.3181 12.3581 12.3581 k = 0.1136 0.0656-0.0000 ( 14307 PWs) bands (ev): -1.3721 -1.3721 -0.2469 -0.2469 -0.2223 -0.2223 0.8365 0.8365 0.9400 0.9400 1.2991 1.2991 1.3898 1.3898 3.9776 3.9776 4.7147 4.7147 5.1729 5.1729 5.4167 5.4167 5.5189 5.5189 5.7525 5.7525 5.9957 5.9957 6.0610 6.0610 6.3457 6.3457 6.4178 6.4178 6.4767 6.4767 6.5535 6.5535 6.7939 6.7939 7.0653 7.0653 7.1788 7.1788 7.8706 7.8706 7.9360 7.9360 8.0999 8.0999 8.5393 8.5393 8.5664 8.5664 8.5899 8.5899 8.6873 8.6873 8.6994 8.6994 8.7576 8.7576 8.7666 8.7666 9.1778 9.1778 9.2558 9.2558 9.3314 9.3314 9.3383 9.3383 9.3495 9.3495 10.0948 10.0948 10.7037 10.7037 10.7887 10.7887 11.6713 11.6713 11.7671 11.7671 11.8317 11.8317 12.0734 12.0734 12.1480 12.1480 12.2676 12.2676 12.3283 12.3283 k = 0.1364 0.0787-0.0000 ( 14313 PWs) bands (ev): -1.3577 -1.3577 -0.2625 -0.2625 -0.2271 -0.2271 0.8065 0.8065 0.9463 0.9463 1.3005 1.3005 1.4111 1.4111 3.9776 3.9776 4.7288 4.7288 5.1777 5.1777 5.4141 5.4141 5.5232 5.5232 5.7312 5.7312 5.9878 5.9878 6.0650 6.0650 6.3520 6.3520 6.4374 6.4374 6.4698 6.4698 6.5821 6.5821 6.8365 6.8365 7.0447 7.0447 7.1813 7.1813 7.8706 7.8706 7.9416 7.9416 8.0856 8.0856 8.4916 8.4916 8.5576 8.5576 8.5894 8.5894 8.6660 8.6660 8.6776 8.6776 8.7753 8.7753 8.7882 8.7882 9.1496 9.1496 9.2449 9.2449 9.3284 9.3284 9.3574 9.3574 9.3652 9.3652 10.1418 10.1418 10.6886 10.6886 10.7764 10.7764 11.6291 11.6291 11.7245 11.7245 11.8248 11.8248 12.0814 12.0814 12.1671 12.1671 12.2131 12.2131 12.2996 12.2996 k = 0.1591 0.0919-0.0000 ( 14299 PWs) bands (ev): -1.3408 -1.3408 -0.2810 -0.2810 -0.2325 -0.2325 0.7755 0.7755 0.9533 0.9533 1.3022 1.3022 1.4327 1.4327 3.9776 3.9776 4.7451 4.7451 5.1829 5.1829 5.4013 5.4013 5.5311 5.5311 5.7236 5.7236 5.9738 5.9738 6.0714 6.0714 6.3505 6.3505 6.4449 6.4449 6.4832 6.4832 6.6109 6.6109 6.8848 6.8848 7.0213 7.0213 7.1853 7.1853 7.8695 7.8695 7.9481 7.9481 8.0705 8.0705 8.4371 8.4371 8.5477 8.5477 8.5888 8.5888 8.6426 8.6426 8.6531 8.6531 8.7866 8.7866 8.8223 8.8223 9.1172 9.1172 9.2365 9.2365 9.3246 9.3246 9.3671 9.3671 9.3942 9.3942 10.1910 10.1910 10.6708 10.6708 10.7619 10.7619 11.5807 11.5807 11.6776 11.6776 11.8290 11.8290 12.0817 12.0817 12.1560 12.1560 12.1881 12.1881 12.2728 12.2728 k = 0.1818 0.1050-0.0000 ( 14289 PWs) bands (ev): -1.3214 -1.3214 -0.3024 -0.3024 -0.2382 -0.2382 0.7442 0.7442 0.9608 0.9608 1.3043 1.3043 1.4539 1.4539 3.9777 3.9777 4.7636 4.7636 5.1878 5.1878 5.3777 5.3777 5.5451 5.5451 5.7290 5.7290 5.9556 5.9556 6.0786 6.0786 6.3364 6.3364 6.4535 6.4535 6.5083 6.5083 6.6399 6.6399 6.9345 6.9345 6.9989 6.9989 7.1902 7.1902 7.8667 7.8667 7.9552 7.9552 8.0557 8.0557 8.3773 8.3773 8.5367 8.5367 8.5873 8.5873 8.6178 8.6178 8.6266 8.6266 8.7998 8.7998 8.8599 8.8599 9.0833 9.0833 9.2297 9.2297 9.3200 9.3200 9.3773 9.3773 9.4250 9.4250 10.2410 10.2410 10.6510 10.6510 10.7450 10.7450 11.5284 11.5284 11.6303 11.6303 11.8388 11.8388 12.0757 12.0757 12.0975 12.0975 12.2111 12.2111 12.2485 12.2485 k = 0.2045 0.1181-0.0000 ( 14285 PWs) bands (ev): -1.2996 -1.2996 -0.3267 -0.3267 -0.2443 -0.2443 0.7134 0.7134 0.9685 0.9685 1.3066 1.3066 1.4742 1.4742 3.9777 3.9777 4.7843 4.7843 5.1912 5.1912 5.3477 5.3477 5.5650 5.5650 5.7447 5.7447 5.9344 5.9344 6.0854 6.0854 6.3121 6.3121 6.4691 6.4691 6.5364 6.5364 6.6691 6.6691 6.9562 6.9562 7.0064 7.0064 7.1961 7.1961 7.8616 7.8616 7.9625 7.9625 8.0427 8.0427 8.3134 8.3134 8.5247 8.5247 8.5804 8.5804 8.5949 8.5949 8.5998 8.5998 8.8148 8.8148 8.9001 8.9001 9.0496 9.0496 9.2240 9.2240 9.3147 9.3147 9.3882 9.3882 9.4565 9.4565 10.2903 10.2903 10.6299 10.6299 10.7254 10.7254 11.4734 11.4734 11.5847 11.5847 11.8519 11.8519 12.0367 12.0367 12.0672 12.0672 12.2267 12.2267 12.2364 12.2364 k = 0.2273 0.1312-0.0000 ( 14288 PWs) bands (ev): -1.2755 -1.2755 -0.3537 -0.3537 -0.2505 -0.2505 0.6835 0.6835 0.9764 0.9764 1.3093 1.3093 1.4935 1.4935 3.9778 3.9778 4.8070 4.8070 5.1903 5.1903 5.3184 5.3184 5.5893 5.5893 5.7676 5.7676 5.9113 5.9113 6.0913 6.0913 6.2818 6.2818 6.4875 6.4875 6.5659 6.5659 6.6984 6.6984 6.9389 6.9389 7.0543 7.0543 7.2033 7.2033 7.8536 7.8536 7.9688 7.9688 8.0334 8.0334 8.2465 8.2465 8.5117 8.5117 8.5559 8.5559 8.5699 8.5699 8.5898 8.5898 8.8314 8.8314 8.9420 8.9420 9.0173 9.0173 9.2193 9.2193 9.3087 9.3087 9.3995 9.3995 9.4883 9.4883 10.3374 10.3374 10.6088 10.6088 10.7033 10.7033 11.4163 11.4163 11.5419 11.5419 11.8670 11.8670 11.9771 11.9771 12.0556 12.0556 12.2097 12.2097 12.2614 12.2614 k = 0.2500 0.1443-0.0000 ( 14286 PWs) bands (ev): -1.2492 -1.2492 -0.3833 -0.3833 -0.2567 -0.2567 0.6552 0.6552 0.9841 0.9841 1.3123 1.3123 1.5114 1.5114 3.9778 3.9778 4.8316 4.8316 5.1806 5.1806 5.2974 5.2974 5.6166 5.6166 5.7950 5.7950 5.8875 5.8875 6.0955 6.0955 6.2490 6.2490 6.5041 6.5041 6.5971 6.5971 6.7271 6.7271 6.9221 6.9221 7.1013 7.1013 7.2147 7.2147 7.8425 7.8425 7.9729 7.9729 8.0294 8.0294 8.1780 8.1780 8.4973 8.4973 8.5255 8.5255 8.5425 8.5425 8.5867 8.5867 8.8493 8.8493 8.9811 8.9811 8.9909 8.9909 9.2156 9.2156 9.3018 9.3018 9.4111 9.4111 9.5198 9.5198 10.3803 10.3803 10.5894 10.5894 10.6789 10.6789 11.3580 11.3580 11.5025 11.5025 11.8828 11.8828 11.9182 11.9182 12.0438 12.0438 12.1965 12.1965 12.2873 12.2873 k = 0.2727 0.1575-0.0000 ( 14290 PWs) bands (ev): -1.2207 -1.2207 -0.4154 -0.4154 -0.2629 -0.2629 0.6287 0.6287 0.9916 0.9916 1.3156 1.3156 1.5279 1.5279 3.9778 3.9778 4.8579 4.8579 5.1593 5.1593 5.2894 5.2894 5.6458 5.6458 5.8217 5.8217 5.8670 5.8670 6.0973 6.0973 6.2164 6.2164 6.5145 6.5145 6.6307 6.6307 6.7540 6.7540 6.9134 6.9134 7.1348 7.1348 7.2370 7.2370 7.8284 7.8284 7.9742 7.9742 8.0304 8.0304 8.1101 8.1101 8.4802 8.4802 8.4945 8.4945 8.5166 8.5166 8.5836 8.5836 8.8681 8.8681 8.9589 8.9589 9.0289 9.0289 9.2127 9.2127 9.2940 9.2940 9.4230 9.4230 9.5508 9.5508 10.4155 10.4155 10.5750 10.5750 10.6528 10.6528 11.2992 11.2992 11.4668 11.4668 11.8582 11.8582 11.9009 11.9009 12.0332 12.0332 12.1879 12.1879 12.3129 12.3129 k = 0.2955 0.1706-0.0000 ( 14300 PWs) bands (ev): -1.1902 -1.1902 -0.4499 -0.4499 -0.2688 -0.2688 0.6043 0.6043 0.9986 0.9986 1.3190 1.3190 1.5428 1.5428 3.9779 3.9779 4.8857 4.8857 5.1300 5.1300 5.2918 5.2918 5.6753 5.6753 5.8231 5.8231 5.8735 5.8735 6.0951 6.0951 6.1876 6.1876 6.5155 6.5155 6.6671 6.6671 6.7783 6.7783 6.9153 6.9153 7.1488 7.1488 7.2743 7.2743 7.8116 7.8116 7.9727 7.9727 8.0235 8.0235 8.0563 8.0563 8.4569 8.4569 8.4658 8.4658 8.4947 8.4947 8.5798 8.5798 8.8862 8.8862 8.9364 8.9364 9.0709 9.0709 9.2106 9.2106 9.2853 9.2853 9.4351 9.4351 9.5808 9.5808 10.4373 10.4373 10.5709 10.5709 10.6256 10.6256 11.2407 11.2407 11.4349 11.4349 11.8023 11.8023 11.9158 11.9158 12.0251 12.0251 12.1841 12.1841 12.3373 12.3373 k = 0.3182 0.1837-0.0000 ( 14306 PWs) bands (ev): -1.1577 -1.1577 -0.4863 -0.4863 -0.2744 -0.2744 0.5822 0.5822 1.0051 1.0051 1.3226 1.3226 1.5561 1.5561 3.9779 3.9779 4.9147 4.9147 5.0983 5.0983 5.3001 5.3001 5.7034 5.7034 5.8018 5.8018 5.9035 5.9035 6.0873 6.0873 6.1667 6.1667 6.5062 6.5062 6.7061 6.7061 6.8007 6.8007 6.9271 6.9271 7.1492 7.1492 7.3202 7.3202 7.7917 7.7917 7.9563 7.9563 7.9845 7.9845 8.0545 8.0545 8.4279 8.4279 8.4400 8.4400 8.4774 8.4774 8.5752 8.5752 8.8951 8.8951 8.9268 8.9268 9.1109 9.1109 9.2091 9.2091 9.2755 9.2755 9.4476 9.4476 9.6097 9.6097 10.4416 10.4416 10.5794 10.5794 10.6001 10.6001 11.1837 11.1837 11.4067 11.4067 11.7486 11.7486 11.9282 11.9282 12.0209 12.0209 12.1852 12.1852 12.3592 12.3592 k = 0.3409 0.1968-0.0000 ( 14306 PWs) bands (ev): -1.1236 -1.1236 -0.5245 -0.5245 -0.2796 -0.2796 0.5625 0.5625 1.0109 1.0109 1.3262 1.3262 1.5678 1.5678 3.9780 3.9780 4.9442 4.9442 5.0672 5.0672 5.3114 5.3114 5.7266 5.7266 5.7794 5.7794 5.9344 5.9344 6.0763 6.0763 6.1555 6.1555 6.4879 6.4879 6.7468 6.7468 6.8224 6.8224 6.9451 6.9451 7.1426 7.1426 7.3680 7.3680 7.7672 7.7672 7.9030 7.9030 7.9777 7.9777 8.0640 8.0640 8.3985 8.3985 8.4148 8.4148 8.4632 8.4632 8.5699 8.5699 8.8848 8.8848 8.9402 8.9402 9.1480 9.1480 9.2082 9.2082 9.2648 9.2648 9.4603 9.4603 9.6371 9.6371 10.4331 10.4331 10.5673 10.5673 10.6057 10.6057 11.1292 11.1292 11.3821 11.3821 11.6983 11.6983 11.9361 11.9361 12.0216 12.0216 12.1912 12.1912 12.3700 12.3703 k = 0.3636 0.2099-0.0000 ( 14302 PWs) bands (ev): -1.0880 -1.0880 -0.5640 -0.5640 -0.2843 -0.2843 0.5455 0.5455 1.0160 1.0160 1.3296 1.3296 1.5779 1.5779 3.9780 3.9780 4.9736 4.9736 5.0386 5.0386 5.3243 5.3243 5.7353 5.7353 5.7659 5.7659 5.9594 5.9594 6.0713 6.0713 6.1510 6.1510 6.4631 6.4631 6.7873 6.7873 6.8447 6.8447 6.9649 6.9649 7.1329 7.1329 7.4148 7.4148 7.7344 7.7344 7.8534 7.8534 7.9766 7.9766 8.0748 8.0748 8.3707 8.3707 8.3913 8.3913 8.4508 8.4508 8.5640 8.5640 8.8711 8.8711 8.9602 8.9602 9.1810 9.1810 9.2078 9.2078 9.2532 9.2532 9.4731 9.4731 9.6626 9.6626 10.4190 10.4190 10.5422 10.5422 10.6286 10.6286 11.0782 11.0782 11.3611 11.3611 11.6522 11.6522 11.9393 11.9393 12.0268 12.0268 12.2016 12.2016 12.3533 12.3536 k = 0.3864 0.2231-0.0000 ( 14316 PWs) bands (ev): -1.0511 -1.0511 -0.6045 -0.6045 -0.2884 -0.2884 0.5310 0.5310 1.0204 1.0204 1.3328 1.3328 1.5864 1.5864 3.9780 3.9780 5.0007 5.0007 5.0149 5.0149 5.3377 5.3377 5.7217 5.7217 5.7671 5.7671 5.9755 5.9755 6.0807 6.0807 6.1499 6.1499 6.4345 6.4345 6.8251 6.8251 6.8679 6.8679 6.9831 6.9831 7.1233 7.1233 7.4595 7.4595 7.6916 7.6916 7.8156 7.8156 7.9763 7.9763 8.0853 8.0853 8.3452 8.3452 8.3707 8.3707 8.4400 8.4400 8.5580 8.5580 8.8593 8.8593 8.9811 8.9811 9.2050 9.2050 9.2120 9.2120 9.2409 9.2409 9.4858 9.4858 9.6857 9.6857 10.4036 10.4036 10.5186 10.5186 10.6510 10.6510 11.0322 11.0322 11.3434 11.3434 11.6111 11.6111 11.9393 11.9393 12.0342 12.0342 12.2158 12.2158 12.3368 12.3368 k = 0.4091 0.2362-0.0000 ( 14330 PWs) bands (ev): -1.0135 -1.0135 -0.6454 -0.6454 -0.2918 -0.2918 0.5191 0.5191 1.0239 1.0239 1.3357 1.3357 1.5933 1.5933 3.9781 3.9781 4.9910 4.9910 5.0300 5.0300 5.3508 5.3508 5.7037 5.7037 5.7646 5.7646 5.9875 5.9875 6.1017 6.1017 6.1502 6.1502 6.4045 6.4045 6.8568 6.8568 6.8915 6.8915 6.9981 6.9981 7.1169 7.1169 7.5008 7.5008 7.6435 7.6435 7.7870 7.7870 7.9764 7.9764 8.0950 8.0950 8.3228 8.3228 8.3538 8.3538 8.4306 8.4306 8.5523 8.5523 8.8499 8.8499 9.0014 9.0014 9.2066 9.2066 9.2280 9.2280 9.2338 9.2338 9.4979 9.4979 9.7059 9.7059 10.3892 10.3892 10.4981 10.4981 10.6704 10.6704 10.9922 10.9922 11.3290 11.3290 11.5761 11.5761 11.9378 11.9378 12.0414 12.0414 12.2326 12.2326 12.3256 12.3257 k = 0.4318 0.2493-0.0000 ( 14334 PWs) bands (ev): -0.9758 -0.9758 -0.6857 -0.6857 -0.2946 -0.2946 0.5099 0.5099 1.0267 1.0267 1.3380 1.3380 1.5987 1.5987 3.9781 3.9781 4.9743 4.9743 5.0530 5.0530 5.3625 5.3625 5.6880 5.6880 5.7551 5.7551 6.0004 6.0004 6.1259 6.1259 6.1516 6.1516 6.3753 6.3753 6.8806 6.8806 6.9116 6.9116 7.0115 7.0115 7.1154 7.1154 7.5357 7.5357 7.5994 7.5994 7.7626 7.7626 7.9765 7.9765 8.1031 8.1031 8.3042 8.3042 8.3408 8.3408 8.4229 8.4229 8.5472 8.5472 8.8430 8.8430 9.0200 9.0200 9.2066 9.2066 9.2159 9.2159 9.2514 9.2514 9.5086 9.5086 9.7225 9.7225 10.3769 10.3769 10.4814 10.4814 10.6859 10.6859 10.9595 10.9595 11.3179 11.3179 11.5477 11.5477 11.9360 11.9360 12.0471 12.0471 12.2502 12.2502 12.3195 12.3195 k = 0.4545 0.2624-0.0000 ( 14334 PWs) bands (ev): -0.9397 -0.9397 -0.7238 -0.7238 -0.2966 -0.2966 0.5033 0.5033 1.0287 1.0287 1.3398 1.3398 1.6025 1.6025 3.9781 3.9781 4.9621 4.9621 5.0712 5.0712 5.3719 5.3719 5.6763 5.6763 5.7430 5.7430 6.0136 6.0136 6.1442 6.1442 6.1569 6.1569 6.3495 6.3495 6.8978 6.8978 6.9225 6.9225 7.0254 7.0254 7.1177 7.1177 7.5403 7.5403 7.5884 7.5884 7.7401 7.7401 7.9767 7.9767 8.1093 8.1093 8.2903 8.2903 8.3318 8.3318 8.4172 8.4172 8.5432 8.5432 8.8382 8.8382 9.0356 9.0356 9.2040 9.2040 9.2077 9.2077 9.2639 9.2639 9.5171 9.5171 9.7350 9.7350 10.3675 10.3675 10.4691 10.4691 10.6971 10.6971 10.9352 10.9352 11.3100 11.3100 11.5269 11.5269 11.9344 11.9344 12.0508 12.0508 12.2661 12.2661 12.3172 12.3172 k = 0.4773 0.2756-0.0000 ( 14338 PWs) bands (ev): -0.9093 -0.9093 -0.7554 -0.7554 -0.2978 -0.2978 0.4994 0.4994 1.0299 1.0299 1.3409 1.3409 1.6048 1.6048 3.9781 3.9781 4.9547 4.9547 5.0830 5.0830 5.3780 5.3780 5.6692 5.6692 5.7332 5.7332 6.0236 6.0236 6.1488 6.1488 6.1695 6.1695 6.3308 6.3308 6.9098 6.9098 6.9244 6.9244 7.0375 7.0375 7.1212 7.1212 7.5182 7.5182 7.6094 7.6094 7.7208 7.7208 7.9768 7.9768 8.1132 8.1132 8.2817 8.2817 8.3265 8.3265 8.4136 8.4136 8.5407 8.5407 8.8355 8.8355 9.0463 9.0463 9.1966 9.1966 9.2073 9.2073 9.2714 9.2714 9.5226 9.5226 9.7427 9.7427 10.3617 10.3617 10.4615 10.4615 10.7039 10.7039 10.9202 10.9202 11.3052 11.3052 11.5141 11.5141 11.9334 11.9334 12.0528 12.0528 12.2773 12.2773 12.3171 12.3171 k = 0.5000 0.2887-0.0000 ( 14350 PWs) bands (ev): -0.8958 -0.8958 -0.7693 -0.7693 -0.2982 -0.2982 0.4981 0.4981 1.0303 1.0303 1.3412 1.3412 1.6055 1.6055 3.9781 3.9781 4.9522 4.9522 5.0871 5.0871 5.3802 5.3802 5.6669 5.6669 5.7295 5.7295 6.0274 6.0274 6.1495 6.1495 6.1753 6.1753 6.3237 6.3237 6.9155 6.9155 6.9227 6.9227 7.0424 7.0424 7.1229 7.1229 7.5089 7.5089 7.6200 7.6200 7.7120 7.7120 7.9769 7.9769 8.1145 8.1145 8.2788 8.2788 8.3248 8.3248 8.4124 8.4124 8.5398 8.5398 8.8346 8.8346 9.0502 9.0502 9.1937 9.1937 9.2072 9.2072 9.2738 9.2738 9.5245 9.5245 9.7453 9.7453 10.3597 10.3597 10.4590 10.4590 10.7061 10.7061 10.9152 10.9152 11.3036 11.3036 11.5098 11.5098 11.9330 11.9330 12.0534 12.0534 12.2813 12.2813 12.3174 12.3174 k = 0.5000 0.2887-0.0000 ( 14350 PWs) bands (ev): -0.8958 -0.8958 -0.7693 -0.7693 -0.2982 -0.2982 0.4981 0.4981 1.0303 1.0303 1.3412 1.3412 1.6055 1.6055 3.9781 3.9781 4.9522 4.9522 5.0871 5.0871 5.3802 5.3802 5.6669 5.6669 5.7295 5.7295 6.0274 6.0274 6.1495 6.1495 6.1753 6.1753 6.3237 6.3237 6.9155 6.9155 6.9227 6.9227 7.0424 7.0424 7.1229 7.1229 7.5089 7.5089 7.6200 7.6200 7.7120 7.7120 7.9769 7.9769 8.1145 8.1145 8.2788 8.2788 8.3248 8.3248 8.4124 8.4124 8.5398 8.5398 8.8346 8.8346 9.0502 9.0502 9.1937 9.1937 9.2072 9.2072 9.2738 9.2738 9.5245 9.5245 9.7453 9.7453 10.3597 10.3597 10.4590 10.4590 10.7061 10.7061 10.9152 10.9152 11.3036 11.3036 11.5098 11.5098 11.9330 11.9330 12.0534 12.0534 12.2813 12.2813 12.3174 12.3174 k = 0.4872 0.3109-0.0000 ( 14328 PWs) bands (ev): -0.8949 -0.8949 -0.7685 -0.7685 -0.3005 -0.3005 0.4970 0.4970 1.0325 1.0325 1.3405 1.3405 1.6056 1.6056 3.9781 3.9781 4.9529 4.9529 5.0888 5.0888 5.3809 5.3809 5.6651 5.6651 5.7276 5.7276 6.0239 6.0239 6.1497 6.1497 6.1658 6.1658 6.3382 6.3382 6.9048 6.9048 6.9335 6.9335 7.0456 7.0456 7.1239 7.1239 7.5078 7.5078 7.6210 7.6210 7.7105 7.7105 7.9772 7.9772 8.1139 8.1139 8.2762 8.2762 8.3210 8.3210 8.4132 8.4132 8.5404 8.5404 8.8315 8.8315 9.0512 9.0512 9.1941 9.1941 9.2057 9.2057 9.2738 9.2738 9.5297 9.5297 9.7508 9.7508 10.3605 10.3605 10.4599 10.4599 10.6996 10.6996 10.9149 10.9149 11.2970 11.2970 11.5168 11.5168 11.9344 11.9344 12.0574 12.0574 12.2698 12.2698 12.2875 12.2875 k = 0.4744 0.3331-0.0000 ( 14320 PWs) bands (ev): -0.8921 -0.8921 -0.7662 -0.7662 -0.3075 -0.3075 0.4938 0.4938 1.0391 1.0391 1.3382 1.3382 1.6058 1.6058 3.9781 3.9781 4.9548 4.9548 5.0937 5.0937 5.3832 5.3832 5.6596 5.6596 5.7216 5.7216 6.0138 6.0138 6.1434 6.1434 6.1527 6.1527 6.3728 6.3728 6.8906 6.8906 6.9480 6.9480 7.0548 7.0548 7.1274 7.1274 7.5045 7.5045 7.6237 7.6237 7.7065 7.7065 7.9784 7.9784 8.1122 8.1122 8.2684 8.2684 8.3100 8.3100 8.4159 8.4159 8.5422 8.5422 8.8225 8.8225 9.0543 9.0543 9.1952 9.1952 9.2013 9.2013 9.2736 9.2736 9.5447 9.5447 9.7670 9.7670 10.3627 10.3627 10.4625 10.4625 10.6808 10.6808 10.9140 10.9140 11.2780 11.2780 11.5370 11.5370 11.9386 11.9386 12.0686 12.0686 12.1959 12.1959 12.2806 12.2806 k = 0.4615 0.3553-0.0000 ( 14328 PWs) bands (ev): -0.8874 -0.8874 -0.7624 -0.7624 -0.3189 -0.3189 0.4889 0.4889 1.0496 1.0496 1.3344 1.3344 1.6062 1.6062 3.9781 3.9781 4.9581 4.9581 5.1018 5.1018 5.3870 5.3870 5.6507 5.6507 5.7116 5.7116 5.9980 5.9980 6.1233 6.1233 6.1540 6.1540 6.4164 6.4164 6.8758 6.8758 6.9638 6.9638 7.0686 7.0686 7.1338 7.1338 7.4989 7.4989 7.6265 7.6265 7.7018 7.7018 7.9803 7.9803 8.1094 8.1094 8.2556 8.2556 8.2923 8.2923 8.4203 8.4203 8.5450 8.5450 8.8084 8.8084 9.0594 9.0594 9.1936 9.1936 9.1979 9.1979 9.2733 9.2733 9.5688 9.5688 9.7929 9.7929 10.3659 10.3659 10.4668 10.4668 10.6514 10.6514 10.9120 10.9120 11.2487 11.2487 11.5689 11.5689 11.9456 11.9456 12.0851 12.0851 12.1093 12.1093 12.2759 12.2759 k = 0.4487 0.3775-0.0000 ( 14328 PWs) bands (ev): -0.8808 -0.8808 -0.7572 -0.7572 -0.3344 -0.3344 0.4827 0.4827 1.0633 1.0633 1.3292 1.3292 1.6066 1.6066 3.9781 3.9781 4.9626 4.9626 5.1126 5.1126 5.3922 5.3922 5.6386 5.6386 5.6974 5.6974 5.9788 5.9788 6.1061 6.1061 6.1568 6.1568 6.4629 6.4629 6.8609 6.8609 6.9805 6.9805 7.0854 7.0854 7.1443 7.1443 7.4912 7.4912 7.6261 7.6261 7.6996 7.6996 7.9830 7.9830 8.1056 8.1056 8.2378 8.2378 8.2692 8.2692 8.4263 8.4263 8.5488 8.5488 8.7901 8.7901 9.0662 9.0662 9.1858 9.1858 9.1995 9.1995 9.2730 9.2730 9.6010 9.6010 9.8273 9.8273 10.3696 10.3696 10.4723 10.4723 10.6138 10.6138 10.9078 10.9078 11.2122 11.2122 11.6101 11.6101 11.9547 11.9547 12.0208 12.0208 12.1062 12.1062 12.2698 12.2698 k = 0.4359 0.3997-0.0000 ( 14336 PWs) bands (ev): -0.8724 -0.8724 -0.7508 -0.7508 -0.3537 -0.3537 0.4758 0.4758 1.0797 1.0797 1.3225 1.3225 1.6072 1.6072 3.9781 3.9781 4.9682 4.9682 5.1259 5.1259 5.3987 5.3987 5.6233 5.6233 5.6796 5.6796 5.9589 5.9589 6.0928 6.0928 6.1604 6.1604 6.5090 6.5090 6.8469 6.8469 6.9973 6.9973 7.1032 7.1032 7.1602 7.1602 7.4815 7.4815 7.6192 7.6192 7.7036 7.7036 7.9864 7.9864 8.1008 8.1008 8.2152 8.2152 8.2420 8.2420 8.4340 8.4340 8.5533 8.5533 8.7686 8.7686 9.0745 9.0745 9.1772 9.1772 9.2013 9.2013 9.2727 9.2727 9.6400 9.6400 9.8689 9.8689 10.3727 10.3727 10.4789 10.4789 10.5704 10.5704 10.8998 10.8998 11.1725 11.1725 11.6586 11.6586 11.9289 11.9289 11.9736 11.9736 12.1280 12.1280 12.2619 12.2619 k = 0.4231 0.4219-0.0000 ( 14324 PWs) bands (ev): -0.8623 -0.8623 -0.7435 -0.7435 -0.3762 -0.3762 0.4686 0.4686 1.0979 1.0979 1.3145 1.3145 1.6078 1.6078 3.9781 3.9781 4.9744 4.9744 5.1417 5.1417 5.4062 5.4062 5.6044 5.6044 5.6593 5.6593 5.9410 5.9410 6.0825 6.0825 6.1644 6.1644 6.5522 6.5522 6.8346 6.8346 7.0139 7.0139 7.1203 7.1203 7.1821 7.1821 7.4699 7.4699 7.6055 7.6055 7.7144 7.7144 7.9906 7.9906 8.0953 8.0953 8.1881 8.1881 8.2125 8.2125 8.4432 8.4432 8.5584 8.5584 8.7450 8.7450 9.0839 9.0839 9.1688 9.1688 9.2026 9.2026 9.2725 9.2725 9.6847 9.6847 9.9161 9.9161 10.3735 10.3735 10.4861 10.4861 10.5240 10.5240 10.8856 10.8856 11.1338 11.1338 11.7123 11.7123 11.8499 11.8499 11.9882 11.9882 12.1492 12.1492 12.2523 12.2523 k = 0.4103 0.4441-0.0000 ( 14330 PWs) bands (ev): -0.8504 -0.8504 -0.7357 -0.7357 -0.4012 -0.4012 0.4616 0.4616 1.1173 1.1173 1.3052 1.3052 1.6085 1.6085 3.9782 3.9782 4.9807 4.9807 5.1601 5.1601 5.4146 5.4146 5.5814 5.5814 5.6382 5.6382 5.9267 5.9267 6.0744 6.0744 6.1686 6.1686 6.5903 6.5903 6.8250 6.8250 7.0306 7.0306 7.1364 7.1364 7.2085 7.2085 7.4570 7.4570 7.5872 7.5872 7.7302 7.7302 7.9954 7.9954 8.0892 8.0892 8.1574 8.1574 8.1821 8.1821 8.4539 8.4539 8.5638 8.5638 8.7201 8.7201 9.0941 9.0941 9.1611 9.1611 9.2030 9.2030 9.2723 9.2723 9.7341 9.7341 9.9679 9.9679 10.3683 10.3683 10.4781 10.4781 10.4943 10.4943 10.8627 10.8627 11.1005 11.1005 11.7633 11.7633 11.7826 11.7826 12.0081 12.0081 12.1684 12.1684 12.2412 12.2412 k = 0.3974 0.4663-0.0000 ( 14338 PWs) bands (ev): -0.8368 -0.8368 -0.7281 -0.7281 -0.4276 -0.4276 0.4552 0.4552 1.1371 1.1371 1.2948 1.2948 1.6093 1.6093 3.9782 3.9782 4.9864 4.9864 5.1815 5.1815 5.4232 5.4232 5.5543 5.5543 5.6177 5.6177 5.9172 5.9172 6.0676 6.0676 6.1726 6.1726 6.6213 6.6213 6.8192 6.8192 7.0480 7.0480 7.1517 7.1517 7.2360 7.2360 7.4437 7.4437 7.5667 7.5667 7.7490 7.7490 8.0007 8.0007 8.0825 8.0825 8.1251 8.1251 8.1515 8.1515 8.4658 8.4658 8.5692 8.5692 8.6946 8.6946 9.1046 9.1046 9.1547 9.1547 9.2023 9.2023 9.2724 9.2724 9.7873 9.7873 10.0228 10.0228 10.3498 10.3498 10.4403 10.4403 10.5031 10.5031 10.8296 10.8296 11.0756 11.0756 11.7090 11.7090 11.8322 11.8322 12.0318 12.0318 12.1837 12.1838 12.2285 12.2285 k = 0.3846 0.4885-0.0000 ( 14340 PWs) bands (ev): -0.8215 -0.8215 -0.7216 -0.7216 -0.4541 -0.4541 0.4495 0.4495 1.1570 1.1570 1.2832 1.2832 1.6099 1.6099 3.9782 3.9782 4.9910 4.9910 5.2062 5.2062 5.4305 5.4305 5.5255 5.5255 5.5981 5.5981 5.9128 5.9128 6.0612 6.0612 6.1761 6.1761 6.6443 6.6443 6.8173 6.8173 7.0665 7.0665 7.1664 7.1664 7.2606 7.2606 7.4317 7.4317 7.5460 7.5460 7.7692 7.7692 8.0064 8.0064 8.0753 8.0753 8.0940 8.0940 8.1212 8.1212 8.4790 8.4790 8.5744 8.5744 8.6693 8.6693 9.1146 9.1146 9.1502 9.1502 9.2002 9.2002 9.2726 9.2726 9.8435 9.8435 10.0794 10.0794 10.3123 10.3123 10.4146 10.4146 10.5140 10.5140 10.7879 10.7879 11.0590 11.0590 11.6544 11.6544 11.8943 11.8943 12.0589 12.0589 12.1933 12.1933 12.2153 12.2153 k = 0.3718 0.5107-0.0000 ( 14342 PWs) bands (ev): -0.8047 -0.8047 -0.7179 -0.7179 -0.4787 -0.4787 0.4449 0.4449 1.1763 1.1763 1.2707 1.2707 1.6106 1.6106 3.9782 3.9782 4.9941 4.9941 5.2346 5.2346 5.4305 5.4305 5.5020 5.5020 5.5792 5.5792 5.9131 5.9131 6.0548 6.0548 6.1788 6.1788 6.6595 6.6595 6.8186 6.8186 7.0856 7.0856 7.1799 7.1799 7.2775 7.2775 7.4236 7.4236 7.5272 7.5272 7.7892 7.7892 8.0119 8.0119 8.0654 8.0654 8.0695 8.0695 8.0924 8.0924 8.4929 8.4929 8.5792 8.5792 8.6450 8.6450 9.1227 9.1227 9.1489 9.1489 9.1966 9.1966 9.2729 9.2729 9.9019 9.9019 10.1357 10.1357 10.2626 10.2626 10.3934 10.3934 10.5283 10.5283 10.7413 10.7413 11.0488 11.0488 11.6113 11.6113 11.9574 11.9574 12.0894 12.0894 12.1916 12.1916 12.2058 12.2058 k = 0.3590 0.5329-0.0000 ( 14356 PWs) bands (ev): -0.7863 -0.7863 -0.7191 -0.7191 -0.4989 -0.4989 0.4414 0.4414 1.1947 1.1947 1.2573 1.2573 1.6111 1.6111 3.9782 3.9782 4.9957 4.9957 5.2667 5.2667 5.4126 5.4126 5.4956 5.4956 5.5604 5.5604 5.9169 5.9169 6.0484 6.0484 6.1807 6.1807 6.6686 6.6686 6.8214 6.8214 7.1040 7.1040 7.1913 7.1913 7.2839 7.2839 7.4206 7.4206 7.5127 7.5127 7.8070 7.8070 8.0162 8.0162 8.0472 8.0472 8.0598 8.0598 8.0683 8.0683 8.5069 8.5069 8.5828 8.5828 8.6231 8.6231 9.1269 9.1269 9.1522 9.1522 9.1916 9.1916 9.2734 9.2734 9.9617 9.9617 10.1820 10.1820 10.2160 10.2160 10.3683 10.3683 10.5476 10.5476 10.6937 10.6937 11.0429 11.0429 11.5806 11.5806 12.0205 12.0205 12.1226 12.1226 12.1772 12.1772 12.2016 12.2021 k = 0.3462 0.5551-0.0000 ( 14358 PWs) bands (ev): -0.7666 -0.7666 -0.7278 -0.7278 -0.5119 -0.5119 0.4392 0.4392 1.2118 1.2118 1.2433 1.2433 1.6115 1.6115 3.9782 3.9782 4.9961 4.9961 5.3024 5.3024 5.3798 5.3798 5.5043 5.5043 5.5421 5.5421 5.9219 5.9219 6.0429 6.0429 6.1817 6.1817 6.6732 6.6732 6.8238 6.8238 7.1187 7.1187 7.1993 7.1993 7.2822 7.2822 7.4202 7.4202 7.5047 7.5047 7.8197 7.8197 8.0186 8.0186 8.0349 8.0349 8.0495 8.0495 8.0562 8.0562 8.5190 8.5190 8.5839 8.5839 8.6071 8.6071 9.1279 9.1279 9.1589 9.1589 9.1856 9.1856 9.2738 9.2738 10.0219 10.0219 10.1431 10.1431 10.2491 10.2491 10.3360 10.3360 10.5734 10.5734 10.6483 10.6483 11.0398 11.0398 11.5624 11.5624 12.0819 12.0819 12.1522 12.1522 12.1639 12.1639 12.1953 12.1992 k = 0.3333 0.5774-0.0000 ( 14358 PWs) bands (ev): -0.7475 -0.7475 -0.7433 -0.7433 -0.5163 -0.5163 0.4385 0.4385 1.2248 1.2248 1.2314 1.2314 1.6117 1.6117 3.9782 3.9782 4.9962 4.9962 5.3382 5.3382 5.3442 5.3442 5.5150 5.5150 5.5289 5.5289 5.9245 5.9245 6.0405 6.0405 6.1819 6.1819 6.6747 6.6747 6.8248 6.8248 7.1249 7.1249 7.2022 7.2022 7.2800 7.2800 7.4198 7.4198 7.5029 7.5029 7.8243 7.8243 8.0226 8.0226 8.0252 8.0252 8.0492 8.0492 8.0505 8.0505 8.5246 8.5246 8.5824 8.5824 8.6022 8.6022 9.1279 9.1279 9.1634 9.1634 9.1818 9.1818 9.2740 9.2740 10.0723 10.0723 10.0942 10.0942 10.2912 10.2912 10.3000 10.3000 10.6058 10.6058 10.6089 10.6089 11.0388 11.0388 11.5566 11.5566 12.1254 12.1254 12.1412 12.1412 12.1746 12.1747 12.1848 12.1858 k = 0.3333 0.5774-0.0000 ( 14358 PWs) bands (ev): -0.7475 -0.7475 -0.7433 -0.7433 -0.5163 -0.5163 0.4385 0.4385 1.2248 1.2248 1.2314 1.2314 1.6117 1.6117 3.9782 3.9782 4.9962 4.9962 5.3382 5.3382 5.3442 5.3442 5.5150 5.5150 5.5289 5.5289 5.9245 5.9245 6.0405 6.0405 6.1819 6.1819 6.6747 6.6747 6.8248 6.8248 7.1249 7.1249 7.2022 7.2022 7.2800 7.2800 7.4198 7.4198 7.5029 7.5029 7.8243 7.8243 8.0226 8.0226 8.0252 8.0252 8.0492 8.0492 8.0505 8.0505 8.5246 8.5246 8.5824 8.5824 8.6022 8.6022 9.1279 9.1279 9.1634 9.1634 9.1818 9.1818 9.2740 9.2740 10.0723 10.0723 10.0942 10.0942 10.2912 10.2912 10.3000 10.3000 10.6058 10.6058 10.6089 10.6089 11.0388 11.0388 11.5566 11.5566 12.1254 12.1254 12.1412 12.1412 12.1747 12.1750 12.1853 12.1868 k = 0.3200 0.5543-0.0000 ( 14346 PWs) bands (ev): -0.7721 -0.7721 -0.7221 -0.7221 -0.5121 -0.5121 0.4393 0.4393 1.2117 1.2117 1.2434 1.2434 1.6115 1.6115 3.9782 3.9782 4.9964 4.9964 5.2991 5.2991 5.3831 5.3831 5.5022 5.5022 5.5444 5.5444 5.9205 5.9205 6.0439 6.0439 6.1817 6.1817 6.6731 6.6731 6.8237 6.8237 7.1172 7.1172 7.1986 7.1986 7.2839 7.2839 7.4216 7.4216 7.5033 7.5033 7.8195 7.8195 8.0199 8.0199 8.0319 8.0319 8.0523 8.0523 8.0561 8.0561 8.5182 8.5182 8.5865 8.5865 8.6055 8.6055 9.1281 9.1281 9.1575 9.1575 9.1867 9.1867 9.2737 9.2737 10.0198 10.0198 10.1447 10.1447 10.2473 10.2473 10.3378 10.3378 10.5708 10.5708 10.6519 10.6519 11.0398 11.0398 11.5626 11.5626 12.0967 12.0967 12.1278 12.1278 12.1720 12.1720 12.1761 12.1761 k = 0.3067 0.5312-0.0000 ( 14346 PWs) bands (ev): -0.8048 -0.8048 -0.6977 -0.6977 -0.5014 -0.5014 0.4419 0.4419 1.1953 1.1953 1.2564 1.2564 1.6108 1.6108 3.9782 3.9782 4.9978 4.9978 5.2567 5.2567 5.4213 5.4213 5.4895 5.4895 5.5689 5.5689 5.9076 5.9076 6.0538 6.0538 6.1812 6.1812 6.6684 6.6684 6.8203 6.8203 7.0958 7.0958 7.1870 7.1870 7.2947 7.2947 7.4292 7.4292 7.5029 7.5029 7.8072 7.8072 8.0223 8.0223 8.0343 8.0343 8.0639 8.0639 8.0752 8.0752 8.5043 8.5043 8.5933 8.5933 8.6163 8.6163 9.1288 9.1288 9.1452 9.1452 9.1961 9.1961 9.2725 9.2725 9.9579 9.9579 10.1769 10.1769 10.2190 10.2190 10.3727 10.3727 10.5416 10.5416 10.7055 10.7055 11.0430 11.0430 11.5797 11.5797 12.0554 12.0554 12.1076 12.1076 12.1487 12.1487 12.1625 12.1625 k = 0.2933 0.5081-0.0000 ( 14336 PWs) bands (ev): -0.8416 -0.8416 -0.6721 -0.6721 -0.4862 -0.4862 0.4463 0.4463 1.1785 1.1785 1.2677 1.2677 1.6095 1.6095 3.9782 3.9782 5.0009 5.0009 5.2145 5.2145 5.4362 5.4362 5.4999 5.4999 5.5980 5.5980 5.8872 5.8872 6.0679 6.0679 6.1804 6.1804 6.6607 6.6607 6.8149 6.8149 7.0650 7.0650 7.1671 7.1671 7.3086 7.3086 7.4405 7.4405 7.5048 7.5048 7.7906 7.7906 8.0188 8.0188 8.0476 8.0476 8.0744 8.0744 8.1084 8.1084 8.4890 8.4890 8.5967 8.5967 8.6346 8.6346 9.1272 9.1272 9.1328 9.1328 9.2063 9.2063 9.2700 9.2700 9.8963 9.8963 10.1267 10.1267 10.2658 10.2658 10.4014 10.4014 10.5203 10.5203 10.7663 10.7663 11.0486 11.0486 11.6065 11.6065 12.0130 12.0130 12.0893 12.0893 12.1256 12.1256 12.1484 12.1484 k = 0.2800 0.4850-0.0000 ( 14340 PWs) bands (ev): -0.8806 -0.8806 -0.6457 -0.6457 -0.4682 -0.4682 0.4527 0.4527 1.1614 1.1614 1.2773 1.2773 1.6075 1.6075 3.9781 3.9781 5.0065 5.0065 5.1730 5.1730 5.4248 5.4248 5.5350 5.5350 5.6323 5.6323 5.8617 5.8617 6.0828 6.0828 6.1793 6.1793 6.6505 6.6505 6.8073 6.8073 7.0288 7.0288 7.1405 7.1405 7.3213 7.3213 7.4448 7.4448 7.5208 7.5208 7.7727 7.7727 8.0126 8.0126 8.0625 8.0625 8.0935 8.0935 8.1466 8.1466 8.4752 8.4752 8.5980 8.5980 8.6570 8.6570 9.1108 9.1108 9.1335 9.1335 9.2165 9.2165 9.2655 9.2655 9.8358 9.8358 10.0672 10.0672 10.3135 10.3135 10.4259 10.4259 10.5084 10.5084 10.8324 10.8324 11.0570 11.0570 11.6416 11.6416 11.9724 11.9724 12.0730 12.0730 12.1054 12.1054 12.1326 12.1326 k = 0.2667 0.4619-0.0000 ( 14326 PWs) bands (ev): -0.9206 -0.9206 -0.6184 -0.6184 -0.4484 -0.4484 0.4612 0.4612 1.1443 1.1443 1.2853 1.2853 1.6046 1.6046 3.9781 3.9781 5.0150 5.0150 5.1325 5.1325 5.4071 5.4071 5.5731 5.5731 5.6721 5.6721 5.8331 5.8331 6.0963 6.0963 6.1771 6.1771 6.6396 6.6396 6.7975 6.7975 6.9895 6.9895 7.1091 7.1091 7.3294 7.3294 7.4383 7.4383 7.5557 7.5557 7.7557 7.7557 8.0061 8.0061 8.0701 8.0701 8.1252 8.1252 8.1873 8.1873 8.4641 8.4641 8.5983 8.5983 8.6816 8.6816 9.0907 9.0907 9.1365 9.1365 9.2266 9.2266 9.2586 9.2586 9.7773 9.7773 10.0071 10.0071 10.3517 10.3517 10.4487 10.4487 10.5070 10.5070 10.9015 10.9015 11.0686 11.0686 11.6834 11.6834 11.9356 11.9356 12.0593 12.0593 12.0887 12.0887 12.1150 12.1150 k = 0.2533 0.4388-0.0000 ( 14326 PWs) bands (ev): -0.9609 -0.9609 -0.5905 -0.5905 -0.4278 -0.4278 0.4719 0.4719 1.1271 1.1271 1.2917 1.2917 1.6006 1.6006 3.9781 3.9781 5.0267 5.0267 5.0934 5.0934 5.3885 5.3885 5.6084 5.6084 5.7161 5.7161 5.8036 5.8036 6.1070 6.1070 6.1728 6.1728 6.6300 6.6300 6.7851 6.7851 6.9487 6.9487 7.0749 7.0749 7.3293 7.3293 7.4286 7.4286 7.6025 7.6025 7.7423 7.7423 7.9997 7.9997 8.0730 8.0730 8.1641 8.1641 8.2291 8.2291 8.4565 8.4565 8.5979 8.5979 8.7078 8.7078 9.0685 9.0685 9.1402 9.1402 9.2364 9.2364 9.2483 9.2483 9.7213 9.7213 9.9478 9.9478 10.3776 10.3776 10.4724 10.4724 10.5153 10.5153 10.9720 10.9720 11.0839 11.0839 11.7305 11.7305 11.9044 11.9044 12.0484 12.0484 12.0755 12.0755 12.0959 12.0959 k = 0.2400 0.4157-0.0000 ( 14322 PWs) bands (ev): -1.0009 -1.0009 -0.5622 -0.5622 -0.4068 -0.4068 0.4848 0.4848 1.1100 1.1100 1.2967 1.2967 1.5953 1.5953 3.9781 3.9781 5.0414 5.0414 5.0559 5.0559 5.3702 5.3702 5.6399 5.6399 5.7537 5.7537 5.7830 5.7830 6.1149 6.1149 6.1652 6.1652 6.6237 6.6237 6.7701 6.7701 6.9074 6.9074 7.0390 7.0390 7.3195 7.3195 7.4195 7.4195 7.6546 7.6546 7.7367 7.7367 7.9936 7.9936 8.0727 8.0727 8.2068 8.2068 8.2707 8.2707 8.4527 8.4527 8.5971 8.5971 8.7354 8.7354 9.0447 9.0447 9.1447 9.1447 9.2339 9.2339 9.2461 9.2461 9.6688 9.6688 9.8902 9.8902 10.3938 10.3938 10.4958 10.4958 10.5310 10.5310 11.0421 11.0421 11.1037 11.1037 11.7808 11.7808 11.8807 11.8807 12.0409 12.0409 12.0652 12.0652 12.0767 12.0767 k = 0.2267 0.3926-0.0000 ( 14320 PWs) bands (ev): -1.0401 -1.0401 -0.5336 -0.5336 -0.3860 -0.3860 0.5001 0.5001 1.0931 1.0931 1.3005 1.3005 1.5887 1.5887 3.9781 3.9781 5.0188 5.0188 5.0607 5.0607 5.3527 5.3527 5.6653 5.6653 5.7407 5.7407 5.8160 5.8160 6.1207 6.1207 6.1540 6.1540 6.6215 6.6215 6.7524 6.7524 6.8668 6.8668 7.0027 7.0027 7.3019 7.3019 7.4083 7.4083 7.6985 7.6985 7.7525 7.7525 7.9881 7.9881 8.0696 8.0696 8.2514 8.2514 8.3114 8.3114 8.4529 8.4529 8.5959 8.5959 8.7642 8.7642 9.0194 9.0194 9.1497 9.1497 9.2146 9.2146 9.2553 9.2553 9.6206 9.6206 9.8349 9.8349 10.4056 10.4056 10.5155 10.5155 10.5507 10.5507 11.1067 11.1067 11.1324 11.1324 11.8309 11.8309 11.8672 11.8672 12.0364 12.0364 12.0529 12.0529 12.0639 12.0639 k = 0.2133 0.3695-0.0000 ( 14316 PWs) bands (ev): -1.0782 -1.0782 -0.5049 -0.5049 -0.3656 -0.3656 0.5179 0.5179 1.0766 1.0766 1.3032 1.3032 1.5806 1.5806 3.9780 3.9780 4.9840 4.9840 5.0825 5.0825 5.3366 5.3366 5.6727 5.6727 5.7320 5.7320 5.8565 5.8565 6.1249 6.1249 6.1415 6.1415 6.6220 6.6220 6.7330 6.7330 6.8282 6.8282 6.9674 6.9674 7.2799 7.2799 7.3910 7.3910 7.7197 7.7197 7.8039 7.8039 7.9831 7.9831 8.0641 8.0641 8.2969 8.2969 8.3505 8.3505 8.4569 8.4569 8.5946 8.5946 8.7941 8.7941 8.9932 8.9932 9.1553 9.1553 9.1901 9.1901 9.2643 9.2643 9.5773 9.5773 9.7820 9.7820 10.4158 10.4158 10.5300 10.5300 10.5719 10.5719 11.1470 11.1470 11.1881 11.1881 11.8558 11.8558 11.8860 11.8860 12.0302 12.0302 12.0433 12.0433 12.0607 12.0607 k = 0.2000 0.3464-0.0000 ( 14316 PWs) bands (ev): -1.1149 -1.1149 -0.4764 -0.4764 -0.3461 -0.3461 0.5381 0.5381 1.0605 1.0605 1.3050 1.3050 1.5709 1.5709 3.9780 3.9780 4.9508 4.9508 5.1069 5.1069 5.3223 5.3223 5.6541 5.6541 5.7476 5.7476 5.8879 5.8879 6.1214 6.1214 6.1397 6.1397 6.6205 6.6205 6.7132 6.7132 6.7937 6.7937 6.9347 6.9347 7.2552 7.2552 7.3662 7.3662 7.7377 7.7377 7.8699 7.8699 7.9789 7.9789 8.0568 8.0568 8.3423 8.3423 8.3873 8.3873 8.4645 8.4645 8.5933 8.5933 8.8252 8.8252 8.9666 8.9666 9.1570 9.1570 9.1645 9.1645 9.2729 9.2729 9.5394 9.5394 9.7316 9.7316 10.4241 10.4241 10.5396 10.5396 10.5935 10.5935 11.1803 11.1803 11.2534 11.2534 11.8630 11.8630 11.9206 11.9206 12.0246 12.0246 12.0467 12.0467 12.0623 12.0623 k = 0.1867 0.3233-0.0000 ( 14322 PWs) bands (ev): -1.1501 -1.1501 -0.4482 -0.4482 -0.3277 -0.3277 0.5607 0.5607 1.0449 1.0449 1.3059 1.3059 1.5595 1.5595 3.9779 3.9779 4.9192 4.9192 5.1331 5.1331 5.3111 5.3111 5.6277 5.6277 5.7695 5.7695 5.9047 5.9047 6.1120 6.1120 6.1534 6.1534 6.6105 6.6105 6.6937 6.6937 6.7668 6.7668 6.9075 6.9075 7.2280 7.2280 7.3356 7.3356 7.7594 7.7594 7.9396 7.9396 7.9765 7.9765 8.0484 8.0484 8.3871 8.3871 8.4214 8.4214 8.4758 8.4758 8.5920 8.5920 8.8571 8.8571 8.9402 8.9402 9.1236 9.1236 9.1693 9.1693 9.2811 9.2811 9.5067 9.5067 9.6837 9.6837 10.4276 10.4276 10.5465 10.5465 10.6156 10.6156 11.2167 11.2167 11.3174 11.3174 11.8789 11.8789 11.9303 11.9303 12.0371 12.0371 12.0566 12.0566 12.0696 12.0696 k = 0.1733 0.3002-0.0000 ( 14312 PWs) bands (ev): -1.1835 -1.1835 -0.4206 -0.4206 -0.3105 -0.3105 0.5856 0.5856 1.0299 1.0299 1.3063 1.3063 1.5464 1.5464 3.9779 3.9779 4.8892 4.8892 5.1587 5.1587 5.3046 5.3046 5.6008 5.6008 5.7885 5.7885 5.9075 5.9075 6.1049 6.1049 6.1776 6.1776 6.5895 6.5895 6.6707 6.6707 6.7489 6.7489 6.8905 6.8905 7.1964 7.1964 7.3031 7.3031 7.7834 7.7834 7.9711 7.9711 8.0154 8.0154 8.0400 8.0400 8.4305 8.4305 8.4514 8.4514 8.4912 8.4912 8.5909 8.5909 8.8877 8.8877 8.9167 8.9167 9.0840 9.0840 9.1766 9.1766 9.2888 9.2888 9.4787 9.4787 9.6379 9.6379 10.4216 10.4216 10.5551 10.5551 10.6380 10.6380 11.2571 11.2571 11.3789 11.3789 11.9031 11.9031 11.9202 11.9202 12.0552 12.0552 12.0715 12.0715 12.0882 12.0882 k = 0.1600 0.2771-0.0000 ( 14302 PWs) bands (ev): -1.2149 -1.2149 -0.3937 -0.3937 -0.2946 -0.2946 0.6127 0.6127 1.0156 1.0156 1.3061 1.3061 1.5316 1.5316 3.9779 3.9779 4.8609 4.8609 5.1800 5.1800 5.3062 5.3062 5.5755 5.5755 5.7980 5.7980 5.9061 5.9061 6.0993 6.0993 6.2098 6.2098 6.5609 6.5609 6.6426 6.6426 6.7337 6.7337 6.8883 6.8883 7.1584 7.1584 7.2730 7.2730 7.8074 7.8074 7.9703 7.9703 8.0328 8.0328 8.0881 8.0881 8.4699 8.4699 8.4781 8.4781 8.5119 8.5119 8.5900 8.5900 8.8847 8.8847 8.9290 8.9290 9.0414 9.0414 9.1846 9.1846 9.2961 9.2961 9.4547 9.4547 9.5943 9.5943 10.4035 10.4035 10.5684 10.5684 10.6607 10.6607 11.3016 11.3016 11.4376 11.4376 11.9000 11.9000 11.9387 11.9387 12.0671 12.0671 12.0900 12.0900 12.1144 12.1144 k = 0.1467 0.2540-0.0000 ( 14302 PWs) bands (ev): -1.2443 -1.2443 -0.3679 -0.3679 -0.2802 -0.2802 0.6417 0.6417 1.0020 1.0020 1.3055 1.3055 1.5152 1.5152 3.9778 3.9778 4.8343 4.8343 5.1927 5.1927 5.3196 5.3196 5.5526 5.5526 5.7923 5.7923 5.9117 5.9117 6.0938 6.0938 6.2458 6.2458 6.5292 6.5292 6.6118 6.6118 6.7143 6.7143 6.9012 6.9012 7.1128 7.1128 7.2480 7.2480 7.8287 7.8287 7.9689 7.9689 8.0289 8.0289 8.1611 8.1611 8.4925 8.4925 8.5142 8.5142 8.5370 8.5370 8.5893 8.5893 8.8622 8.8622 8.9628 8.9628 8.9976 8.9976 9.1929 9.1929 9.3029 9.3029 9.4338 9.4338 9.5525 9.5525 10.3741 10.3741 10.5862 10.5862 10.6830 10.6830 11.3499 11.3499 11.4933 11.4933 11.8810 11.8810 11.9784 11.9784 12.0769 12.0769 12.1127 12.1127 12.1363 12.1363 k = 0.1333 0.2309-0.0000 ( 14292 PWs) bands (ev): -1.2714 -1.2714 -0.3433 -0.3433 -0.2673 -0.2673 0.6724 0.6724 0.9894 0.9894 1.3046 1.3046 1.4972 1.4972 3.9778 3.9778 4.8095 4.8095 5.1963 5.1963 5.3438 5.3438 5.5328 5.5328 5.7747 5.7747 5.9260 5.9260 6.0879 6.0879 6.2824 6.2824 6.4973 6.4973 6.5803 6.5803 6.6908 6.6908 6.9241 6.9241 7.0612 7.0612 7.2283 7.2283 7.8457 7.8457 7.9662 7.9662 8.0307 8.0307 8.2329 8.2329 8.5085 8.5085 8.5510 8.5510 8.5641 8.5641 8.5891 8.5891 8.8406 8.8406 8.9518 8.9518 9.0002 9.0002 9.2017 9.2017 9.3091 9.3091 9.4155 9.4155 9.5124 9.5124 10.3361 10.3361 10.6067 10.6067 10.7045 10.7045 11.4014 11.4014 11.5462 11.5462 11.8626 11.8626 12.0234 12.0234 12.0857 12.0857 12.1391 12.1391 12.1511 12.1511 k = 0.1200 0.2078-0.0000 ( 14310 PWs) bands (ev): -1.2963 -1.2963 -0.3202 -0.3202 -0.2559 -0.2559 0.7043 0.7043 0.9776 0.9776 1.3036 1.3036 1.4777 1.4777 3.9777 3.9777 4.7866 4.7866 5.1941 5.1941 5.3733 5.3733 5.5171 5.5171 5.7535 5.7535 5.9442 5.9442 6.0815 6.0815 6.3166 6.3166 6.4676 6.4676 6.5493 6.5493 6.6652 6.6652 6.9510 6.9510 7.0072 7.0072 7.2127 7.2127 7.8576 7.8576 7.9614 7.9614 8.0389 8.0389 8.3024 8.3024 8.5227 8.5227 8.5815 8.5815 8.5914 8.5914 8.5927 8.5927 8.8209 8.8209 8.9083 8.9083 9.0369 9.0369 9.2108 9.2108 9.3148 9.3148 9.3993 9.3993 9.4740 9.4740 10.2922 10.2922 10.6283 10.6283 10.7249 10.7249 11.4553 11.4553 11.5966 11.5966 11.8459 11.8459 12.0713 12.0713 12.0932 12.0932 12.1576 12.1576 12.1704 12.1704 k = 0.1067 0.1848-0.0000 ( 14315 PWs) bands (ev): -1.3187 -1.3187 -0.2988 -0.2988 -0.2458 -0.2458 0.7370 0.7370 0.9669 0.9669 1.3024 1.3024 1.4571 1.4571 3.9777 3.9777 4.7657 4.7657 5.1894 5.1894 5.4005 5.4005 5.5075 5.5075 5.7355 5.7355 5.9626 5.9626 6.0746 6.0746 6.3453 6.3453 6.4430 6.4430 6.5200 6.5200 6.6387 6.6387 6.9448 6.9448 6.9870 6.9870 7.2005 7.2005 7.8650 7.8650 7.9551 7.9551 8.0520 8.0520 8.3685 8.3685 8.5355 8.5355 8.5874 8.5874 8.6139 8.6139 8.6226 8.6226 8.8036 8.8036 8.8664 8.8664 9.0741 9.0741 9.2202 9.2202 9.3199 9.3199 9.3848 9.3848 9.4373 9.4373 10.2446 10.2446 10.6495 10.6495 10.7436 10.7436 11.5104 11.5104 11.6451 11.6451 11.8318 11.8318 12.0955 12.0955 12.1234 12.1234 12.1604 12.1604 12.2030 12.2030 k = 0.0933 0.1617-0.0000 ( 14325 PWs) bands (ev): -1.3387 -1.3387 -0.2793 -0.2793 -0.2372 -0.2372 0.7699 0.7699 0.9572 0.9572 1.3012 1.3012 1.4355 1.4355 3.9776 3.9776 4.7468 4.7468 5.1838 5.1838 5.4180 5.4180 5.5062 5.5062 5.7262 5.7262 5.9791 5.9791 6.0677 6.0677 6.3622 6.3622 6.4284 6.4284 6.4940 6.4940 6.6115 6.6115 6.8922 6.8922 7.0140 7.0140 7.1911 7.1911 7.8689 7.8689 7.9484 7.9484 8.0676 8.0676 8.4302 8.4302 8.5471 8.5471 8.5880 8.5880 8.6391 8.6391 8.6511 8.6511 8.7888 8.7888 8.8273 8.8273 9.1106 9.1106 9.2300 9.2300 9.3243 9.3243 9.3719 9.3719 9.4026 9.4026 10.1953 10.1953 10.6695 10.6695 10.7604 10.7604 11.5653 11.5653 11.6918 11.6918 11.8211 11.8211 12.0953 12.0953 12.1580 12.1580 12.1751 12.1751 12.2381 12.2381 k = 0.0800 0.1386-0.0000 ( 14313 PWs) bands (ev): -1.3561 -1.3561 -0.2620 -0.2620 -0.2299 -0.2299 0.8024 0.8024 0.9486 0.9486 1.3000 1.3000 1.4135 1.4135 3.9776 3.9776 4.7301 4.7301 5.1783 5.1783 5.4230 5.4230 5.5111 5.5111 5.7305 5.7305 5.9917 5.9917 6.0620 6.0620 6.3611 6.3611 6.4249 6.4249 6.4767 6.4767 6.5837 6.5837 6.8417 6.8417 7.0403 7.0403 7.1842 7.1842 7.8704 7.8704 7.9420 7.9420 8.0835 8.0835 8.4864 8.4864 8.5574 8.5574 8.5885 8.5885 8.6628 8.6628 8.6767 8.6767 8.7764 8.7764 8.7919 8.7919 9.1451 9.1451 9.2407 9.2407 9.3282 9.3282 9.3605 9.3605 9.3706 9.3706 10.1459 10.1459 10.6874 10.6874 10.7751 10.7751 11.6178 11.6178 11.7365 11.7365 11.8162 11.8162 12.0892 12.0892 12.1527 12.1527 12.2257 12.2257 12.2746 12.2746 k = 0.0667 0.1155-0.0000 ( 14299 PWs) bands (ev): -1.3710 -1.3710 -0.2470 -0.2470 -0.2238 -0.2238 0.8335 0.8335 0.9413 0.9413 1.2989 1.2989 1.3916 1.3916 3.9776 3.9776 4.7158 4.7158 5.1733 5.1733 5.4202 5.4202 5.5149 5.5149 5.7501 5.7501 5.9982 5.9982 6.0591 6.0591 6.3506 6.3506 6.4143 6.4143 6.4774 6.4774 6.5554 6.5554 6.7974 6.7974 7.0629 7.0629 7.1801 7.1801 7.8706 7.8706 7.9364 7.9364 8.0985 8.0985 8.5356 8.5356 8.5664 8.5664 8.5891 8.5891 8.6847 8.6847 8.6990 8.6990 8.7598 8.7598 8.7674 8.7674 9.1751 9.1751 9.2531 9.2531 9.3315 9.3315 9.3414 9.3414 9.3511 9.3511 10.0983 10.0983 10.7028 10.7028 10.7877 10.7877 11.6645 11.6645 11.7753 11.7753 11.8235 11.8235 12.0772 12.0772 12.1430 12.1430 12.2751 12.2751 12.3117 12.3117 k = 0.0533 0.0924-0.0000 ( 14301 PWs) bands (ev): -1.3832 -1.3832 -0.2346 -0.2346 -0.2188 -0.2188 0.8622 0.8622 0.9352 0.9352 1.2980 1.2980 1.3708 1.3708 3.9776 3.9776 4.7038 4.7038 5.1690 5.1690 5.4148 5.4148 5.5145 5.5145 5.7820 5.7820 5.9975 5.9975 6.0599 6.0599 6.3395 6.3395 6.3940 6.3940 6.4893 6.4893 6.5277 6.5277 6.7610 6.7610 7.0805 7.0805 7.1785 7.1785 7.8699 7.8699 7.9318 7.9318 8.1116 8.1116 8.5697 8.5697 8.5807 8.5807 8.5902 8.5902 8.7042 8.7042 8.7179 8.7179 8.7339 8.7339 8.7597 8.7597 9.1971 9.1971 9.2684 9.2684 9.3178 9.3178 9.3341 9.3341 9.3430 9.3430 10.0543 10.0543 10.7153 10.7153 10.7982 10.7982 11.6997 11.6997 11.8031 11.8031 11.8527 11.8527 12.0598 12.0598 12.1285 12.1285 12.3215 12.3215 12.3484 12.3484 k = 0.0400 0.0693-0.0000 ( 14295 PWs) bands (ev): -1.3927 -1.3927 -0.2250 -0.2250 -0.2147 -0.2147 0.8871 0.8871 0.9305 0.9305 1.2972 1.2972 1.3521 1.3521 3.9775 3.9775 4.6944 4.6944 5.1656 5.1656 5.4092 5.4092 5.5116 5.5116 5.8204 5.8204 5.9905 5.9905 6.0632 6.0632 6.3306 6.3306 6.3712 6.3712 6.5015 6.5015 6.5035 6.5035 6.7335 6.7335 7.0929 7.0929 7.1793 7.1793 7.8689 7.8689 7.9283 7.9283 8.1223 8.1223 8.5767 8.5767 8.5907 8.5907 8.6124 8.6124 8.7129 8.7129 8.7203 8.7203 8.7333 8.7333 8.7547 8.7547 9.2091 9.2091 9.2830 9.2830 9.3037 9.3037 9.3354 9.3354 9.3375 9.3375 10.0160 10.0160 10.7248 10.7248 10.8065 10.8065 11.7193 11.7193 11.8324 11.8324 11.8943 11.8943 12.0374 12.0374 12.1087 12.1087 12.3629 12.3629 12.3837 12.3837 k = 0.0267 0.0462-0.0000 ( 14297 PWs) bands (ev): -1.3996 -1.3996 -0.2185 -0.2185 -0.2114 -0.2114 0.9067 0.9067 0.9272 0.9272 1.2966 1.2966 1.3370 1.3370 3.9775 3.9775 4.6876 4.6876 5.1631 5.1631 5.4046 5.4046 5.5084 5.5084 5.8595 5.8595 5.9791 5.9791 6.0667 6.0667 6.3242 6.3242 6.3498 6.3498 6.4836 6.4836 6.5123 6.5123 6.7146 6.7146 7.1004 7.1004 7.1815 7.1815 7.8680 7.8680 7.9258 7.9258 8.1301 8.1301 8.5798 8.5798 8.5921 8.5921 8.6360 8.6360 8.6977 8.6977 8.7320 8.7320 8.7443 8.7443 8.7526 8.7526 9.2129 9.2129 9.2817 9.2817 9.3113 9.3113 9.3319 9.3319 9.3380 9.3380 9.9860 9.9860 10.7313 10.7313 10.8126 10.8126 11.7271 11.7271 11.8685 11.8685 11.9378 11.9378 12.0105 12.0105 12.0838 12.0838 12.3962 12.3962 12.4163 12.4163 k = 0.0133 0.0231-0.0000 ( 14307 PWs) bands (ev): -1.4037 -1.4037 -0.2150 -0.2150 -0.2090 -0.2090 0.9187 0.9187 0.9259 0.9259 1.2962 1.2962 1.3271 1.3271 3.9775 3.9775 4.6835 4.6835 5.1616 5.1616 5.4016 5.4016 5.5060 5.5060 5.8935 5.8935 5.9646 5.9646 6.0692 6.0692 6.3202 6.3202 6.3341 6.3341 6.4716 6.4716 6.5187 6.5187 6.7037 6.7037 7.1042 7.1042 7.1835 7.1835 7.8673 7.8673 7.9244 7.9244 8.1349 8.1349 8.5813 8.5813 8.5933 8.5933 8.6501 8.6501 8.6884 8.6884 8.7387 8.7387 8.7482 8.7482 8.7555 8.7555 9.2124 9.2124 9.2774 9.2774 9.3222 9.3222 9.3301 9.3301 9.3388 9.3388 9.9666 9.9666 10.7350 10.7350 10.8164 10.8164 11.7296 11.7296 11.9068 11.9068 11.9795 11.9795 11.9796 11.9796 12.0539 12.0539 12.4182 12.4182 12.4416 12.4416 k = 0.0000 0.0000 0.0000 ( 14327 PWs) bands (ev): -1.4051 -1.4051 -0.2140 -0.2140 -0.2081 -0.2081 0.9216 0.9216 0.9267 0.9267 1.2961 1.2961 1.3236 1.3236 3.9775 3.9775 4.6821 4.6821 5.1611 5.1611 5.4005 5.4005 5.5052 5.5052 5.9107 5.9107 5.9546 5.9546 6.0700 6.0700 6.3187 6.3187 6.3284 6.3284 6.4675 6.4675 6.5208 6.5208 6.7001 6.7001 7.1054 7.1054 7.1843 7.1843 7.8671 7.8671 7.9239 7.9239 8.1365 8.1365 8.5817 8.5817 8.5937 8.5937 8.6548 8.6548 8.6853 8.6853 8.7406 8.7406 8.7488 8.7488 8.7576 8.7576 9.2118 9.2118 9.2761 9.2761 9.3249 9.3249 9.3309 9.3309 9.3391 9.3391 9.9599 9.9599 10.7363 10.7363 10.8177 10.8177 11.7302 11.7302 11.9393 11.9393 11.9497 11.9497 12.0133 12.0133 12.0242 12.0242 12.4261 12.4261 12.4517 12.4517 k = 0.0000 0.0000 0.0000 ( 14327 PWs) bands (ev): -1.4051 -1.4051 -0.2140 -0.2140 -0.2081 -0.2081 0.9216 0.9216 0.9267 0.9267 1.2961 1.2961 1.3236 1.3236 3.9775 3.9775 4.6821 4.6821 5.1611 5.1611 5.4005 5.4005 5.5052 5.5052 5.9107 5.9107 5.9546 5.9546 6.0700 6.0700 6.3187 6.3187 6.3284 6.3284 6.4675 6.4675 6.5208 6.5208 6.7001 6.7001 7.1054 7.1054 7.1843 7.1843 7.8671 7.8671 7.9239 7.9239 8.1365 8.1365 8.5817 8.5817 8.5937 8.5937 8.6548 8.6548 8.6853 8.6853 8.7406 8.7406 8.7488 8.7488 8.7576 8.7576 9.2118 9.2118 9.2761 9.2761 9.3249 9.3249 9.3309 9.3309 9.3391 9.3391 9.9599 9.9599 10.7363 10.7363 10.8177 10.8177 11.7302 11.7302 11.9393 11.9393 11.9497 11.9497 12.0133 12.0133 12.0242 12.0242 12.4261 12.4261 12.4517 12.4518 k = 0.0000 0.0000 0.0264 ( 14321 PWs) bands (ev): -1.4036 -1.4036 -0.2130 -0.2130 -0.2071 -0.2071 0.9214 0.9214 0.9265 0.9265 1.2932 1.2932 1.3246 1.3246 3.9707 3.9707 4.6838 4.6838 5.1632 5.1632 5.3901 5.3901 5.4920 5.4920 5.9189 5.9189 5.9608 5.9608 6.0845 6.0845 6.3235 6.3235 6.3269 6.3269 6.4682 6.4682 6.5230 6.5230 6.7006 6.7006 7.1051 7.1051 7.1844 7.1844 7.8663 7.8663 7.9223 7.9223 8.1379 8.1379 8.5712 8.5712 8.5789 8.5789 8.5905 8.5905 8.7408 8.7408 8.7451 8.7451 8.7615 8.7615 8.7793 8.7793 9.2084 9.2084 9.2712 9.2712 9.3283 9.3283 9.3358 9.3358 9.3420 9.3420 9.9524 9.9524 10.7363 10.7363 10.8178 10.8178 11.7347 11.7347 11.9358 11.9358 11.9489 11.9489 12.0124 12.0124 12.0191 12.0191 12.4257 12.4257 12.4514 12.4515 k = 0.0000 0.0000 0.0528 ( 14333 PWs) bands (ev): -1.3991 -1.3991 -0.2101 -0.2101 -0.2042 -0.2042 0.9207 0.9207 0.9257 0.9257 1.2844 1.2844 1.3275 1.3275 3.9507 3.9507 4.6889 4.6889 5.1697 5.1697 5.3611 5.3611 5.4562 5.4562 5.9433 5.9433 5.9766 5.9766 6.1241 6.1241 6.3222 6.3222 6.3385 6.3385 6.4700 6.4700 6.5297 6.5297 6.7023 6.7023 7.1043 7.1043 7.1848 7.1848 7.8640 7.8640 7.9176 7.9176 8.1422 8.1422 8.4727 8.4727 8.5712 8.5712 8.5818 8.5818 8.7533 8.7533 8.7575 8.7575 8.7726 8.7726 8.8723 8.8723 9.1991 9.1991 9.2598 9.2598 9.3373 9.3373 9.3474 9.3474 9.3507 9.3507 9.9305 9.9305 10.7364 10.7364 10.8182 10.8182 11.7479 11.7479 11.9260 11.9260 11.9463 11.9463 12.0047 12.0047 12.0097 12.0097 12.4245 12.4245 12.4506 12.4506 k = 0.0000 0.0000 0.0792 ( 14339 PWs) bands (ev): -1.3917 -1.3917 -0.2052 -0.2052 -0.1993 -0.1993 0.9196 0.9196 0.9245 0.9245 1.2699 1.2699 1.3324 1.3324 3.9185 3.9185 4.6975 4.6975 5.1804 5.1804 5.3185 5.3185 5.4054 5.4054 5.9829 5.9829 5.9956 5.9956 6.1806 6.1806 6.3142 6.3142 6.3651 6.3651 6.4730 6.4730 6.5413 6.5413 6.7049 6.7049 7.1030 7.1030 7.1855 7.1855 7.8601 7.8601 7.9100 7.9100 8.1496 8.1496 8.3734 8.3734 8.5599 8.5599 8.5696 8.5696 8.7677 8.7677 8.7759 8.7759 8.7894 8.7894 8.9689 8.9689 9.1859 9.1859 9.2455 9.2455 9.3501 9.3501 9.3618 9.3618 9.3651 9.3651 9.8951 9.8951 10.7367 10.7367 10.8190 10.8190 11.7689 11.7689 11.9110 11.9110 11.9420 11.9420 11.9833 11.9833 12.0053 12.0053 12.4225 12.4225 12.4490 12.4495 k = 0.0000 0.0000 0.1056 ( 14345 PWs) bands (ev): -1.3814 -1.3814 -0.1984 -0.1984 -0.1925 -0.1925 0.9178 0.9178 0.9227 0.9227 1.2498 1.2498 1.3392 1.3392 3.8755 3.8755 4.7094 4.7094 5.1954 5.1954 5.2673 5.2673 5.3465 5.3465 6.0114 6.0114 6.0360 6.0360 6.2459 6.2459 6.3029 6.3029 6.4041 6.4041 6.4773 6.4773 6.5588 6.5588 6.7086 6.7086 7.1015 7.1015 7.1867 7.1867 7.8547 7.8547 7.8998 7.8998 8.1600 8.1600 8.2739 8.2739 8.5465 8.5465 8.5556 8.5556 8.7867 8.7867 8.7986 8.7986 8.8107 8.8107 9.0651 9.0651 9.1702 9.1702 9.2299 9.2299 9.3650 9.3650 9.3776 9.3776 9.3852 9.3852 9.8481 9.8481 10.7374 10.7374 10.8201 10.8201 11.7967 11.7967 11.8925 11.8925 11.9354 11.9354 11.9583 11.9583 11.9994 11.9994 12.4195 12.4196 12.4469 12.4479 k = 0.0000 0.0000 0.1321 ( 14357 PWs) bands (ev): -1.3681 -1.3681 -0.1897 -0.1897 -0.1838 -0.1838 0.9155 0.9155 0.9203 0.9203 1.2243 1.2243 1.3479 1.3479 3.8233 3.8233 4.7247 4.7247 5.2116 5.2116 5.2145 5.2145 5.2840 5.2840 6.0204 6.0204 6.1010 6.1010 6.2881 6.2881 6.3135 6.3135 6.4547 6.4547 6.4828 6.4828 6.5839 6.5839 6.7133 6.7133 7.1000 7.1000 7.1888 7.1888 7.8480 7.8480 7.8877 7.8877 8.1736 8.1736 8.1744 8.1744 8.5320 8.5320 8.5410 8.5410 8.8102 8.8102 8.8246 8.8246 8.8354 8.8354 9.1516 9.1516 9.1616 9.1616 9.2133 9.2133 9.3810 9.3810 9.3938 9.3938 9.4110 9.4110 9.7914 9.7914 10.7388 10.7388 10.8219 10.8219 11.8297 11.8297 11.8719 11.8719 11.9220 11.9220 11.9370 11.9370 11.9924 11.9924 12.4154 12.4156 12.4399 12.4405 k = 0.0000 0.0000 0.1585 ( 14369 PWs) bands (ev): -1.3519 -1.3519 -0.1791 -0.1791 -0.1732 -0.1732 0.9125 0.9125 0.9172 0.9172 1.1934 1.1934 1.3587 1.3587 3.7638 3.7638 4.7433 4.7433 5.1541 5.1541 5.2207 5.2207 5.2377 5.2377 6.0215 6.0215 6.1757 6.1757 6.2700 6.2700 6.3777 6.3777 6.4894 6.4894 6.5144 6.5144 6.6187 6.6187 6.7187 6.7187 7.0989 7.0989 7.1923 7.1923 7.8402 7.8402 7.8741 7.8741 8.0751 8.0751 8.1902 8.1902 8.5172 8.5172 8.5266 8.5266 8.8370 8.8370 8.8532 8.8532 8.8629 8.8629 9.1340 9.1340 9.1960 9.1960 9.2548 9.2548 9.3972 9.3972 9.4104 9.4104 9.4423 9.4423 9.7279 9.7279 10.7409 10.7409 10.8243 10.8243 11.8506 11.8506 11.8670 11.8670 11.8966 11.8966 11.9263 11.9263 11.9843 11.9843 12.4099 12.4100 12.4195 12.4196 k = 0.0000 0.0000 0.1849 ( 14334 PWs) bands (ev): -1.3328 -1.3328 -0.1666 -0.1666 -0.1607 -0.1607 0.9088 0.9088 0.9133 0.9133 1.1577 1.1577 1.3713 1.3713 3.6984 3.6984 4.7652 4.7652 5.0967 5.0967 5.1585 5.1585 5.2648 5.2648 6.0151 6.0151 6.2403 6.2403 6.2663 6.2663 6.4339 6.4339 6.4973 6.4973 6.5800 6.5800 6.6651 6.6651 6.7250 6.7250 7.0991 7.0991 7.1979 7.1979 7.8319 7.8319 7.8597 7.8597 7.9762 7.9762 8.2095 8.2095 8.5026 8.5026 8.5129 8.5129 8.8655 8.8655 8.8838 8.8838 8.8927 8.8927 9.1149 9.1149 9.1779 9.1779 9.3474 9.3474 9.4129 9.4129 9.4269 9.4269 9.4790 9.4790 9.6609 9.6609 10.7442 10.7442 10.8277 10.8277 11.8300 11.8300 11.8693 11.8693 11.9068 11.9068 11.9179 11.9179 11.9757 11.9757 12.3947 12.3947 12.4027 12.4029 k = 0.0000 0.0000 0.2113 ( 14304 PWs) bands (ev): -1.3108 -1.3108 -0.1523 -0.1523 -0.1464 -0.1464 0.9041 0.9041 0.9084 0.9084 1.1172 1.1172 1.3859 1.3859 3.6285 3.6285 4.7903 4.7903 5.0409 5.0409 5.0987 5.0987 5.2959 5.2959 6.0021 6.0021 6.2180 6.2180 6.3519 6.3519 6.4804 6.4804 6.5067 6.5067 6.6480 6.6480 6.7216 6.7216 6.7319 6.7319 7.1020 7.1020 7.2065 7.2065 7.8237 7.8237 7.8454 7.8454 7.8779 7.8779 8.2311 8.2311 8.4886 8.4886 8.5004 8.5004 8.8926 8.8926 8.9163 8.9163 8.9244 8.9244 9.0958 9.0958 9.1589 9.1589 9.4237 9.4237 9.4410 9.4410 9.4433 9.4433 9.5210 9.5210 9.5956 9.5956 10.7487 10.7487 10.8322 10.8322 11.8105 11.8105 11.8433 11.8433 11.9098 11.9098 11.9485 11.9485 11.9669 11.9669 12.3671 12.3671 12.3939 12.4007 k = 0.0000 0.0000 0.2377 ( 14322 PWs) bands (ev): -1.2860 -1.2860 -0.1361 -0.1361 -0.1303 -0.1303 0.8984 0.8984 0.9026 0.9026 1.0723 1.0723 1.4024 1.4024 3.5553 3.5553 4.8186 4.8186 4.9877 4.9877 5.0421 5.0421 5.3307 5.3307 5.9832 5.9832 6.1871 6.1871 6.4455 6.4455 6.5191 6.5191 6.5193 6.5193 6.7146 6.7146 6.7396 6.7396 6.7829 6.7829 7.1101 7.1101 7.2196 7.2196 7.7805 7.7805 7.8163 7.8163 7.8318 7.8318 8.2543 8.2543 8.4754 8.4754 8.4896 8.4896 8.9125 8.9125 8.9503 8.9503 8.9577 8.9577 9.0785 9.0785 9.1389 9.1389 9.4323 9.4323 9.4593 9.4593 9.5248 9.5248 9.5448 9.5448 9.5682 9.5682 10.7549 10.7549 10.8380 10.8380 11.7929 11.7929 11.8196 11.8196 11.9021 11.9021 11.9582 11.9582 11.9912 11.9912 12.3374 12.3374 12.3826 12.3835 k = 0.0000 0.0000 0.2641 ( 14346 PWs) bands (ev): -1.2584 -1.2584 -0.1182 -0.1182 -0.1124 -0.1124 0.8916 0.8916 0.8955 0.8955 1.0233 1.0233 1.4209 1.4209 3.4797 3.4797 4.8500 4.8500 4.9377 4.9377 4.9893 4.9893 5.3691 5.3691 5.9587 5.9587 6.1513 6.1513 6.5141 6.5141 6.5527 6.5527 6.5626 6.5626 6.7465 6.7465 6.7780 6.7780 6.8406 6.8406 7.1275 7.1275 7.2392 7.2392 7.6844 7.6844 7.8103 7.8103 7.8197 7.8197 8.2783 8.2783 8.4633 8.4633 8.4811 8.4811 8.9168 8.9168 8.9856 8.9856 8.9925 8.9925 9.0647 9.0647 9.1177 9.1177 9.4249 9.4249 9.4749 9.4749 9.5104 9.5104 9.6179 9.6179 9.6203 9.6203 10.7628 10.7628 10.8455 10.8455 11.7775 11.7775 11.7986 11.7986 11.8949 11.8949 11.9500 11.9500 12.0343 12.0343 12.3061 12.3061 12.3692 12.3725 k = 0.0000 0.0000 0.2905 ( 14376 PWs) bands (ev): -1.2280 -1.2280 -0.0985 -0.0985 -0.0929 -0.0929 0.8835 0.8835 0.8872 0.8872 0.9705 0.9705 1.4413 1.4413 3.4026 3.4026 4.8844 4.8844 4.8916 4.8916 4.9409 4.9409 5.4111 5.4111 5.9291 5.9291 6.1110 6.1110 6.5322 6.5322 6.5835 6.5835 6.6609 6.6609 6.7549 6.7549 6.8326 6.8326 6.8860 6.8860 7.1592 7.1592 7.2672 7.2672 7.5903 7.5903 7.8063 7.8063 7.8098 7.8098 8.3021 8.3021 8.4526 8.4526 8.4756 8.4756 8.8985 8.8985 9.0220 9.0220 9.0283 9.0283 9.0522 9.0522 9.0953 9.0953 9.4115 9.4115 9.4899 9.4899 9.5089 9.5089 9.6770 9.6770 9.7033 9.7033 10.7728 10.7728 10.8547 10.8547 11.7646 11.7646 11.7806 11.7806 11.8885 11.8885 11.9426 11.9426 12.0770 12.0770 12.2737 12.2737 12.3538 12.3541 k = 0.0000 0.0000 0.3169 ( 14364 PWs) bands (ev): -1.1948 -1.1948 -0.0772 -0.0772 -0.0716 -0.0716 0.8741 0.8741 0.8775 0.8775 0.9143 0.9143 1.4636 1.4636 3.3246 3.3246 4.8498 4.8498 4.8973 4.8973 4.9218 4.9218 5.4565 5.4565 5.8946 5.8946 6.0662 6.0662 6.5455 6.5455 6.6125 6.6125 6.7632 6.7632 6.7674 6.7674 6.8770 6.8770 6.9144 6.9144 7.2059 7.2059 7.3052 7.3052 7.5004 7.5004 7.8028 7.8028 7.8048 7.8048 8.3244 8.3244 8.4431 8.4431 8.4741 8.4741 8.8578 8.8578 9.0343 9.0343 9.0593 9.0593 9.0646 9.0646 9.0721 9.0721 9.4159 9.4159 9.5043 9.5043 9.5177 9.5177 9.7380 9.7380 9.7868 9.7868 10.7850 10.7850 10.8660 10.8660 11.7546 11.7546 11.7661 11.7661 11.8833 11.8833 11.9363 11.9363 12.1188 12.1188 12.2407 12.2407 12.3359 12.3360 k = 0.0000 0.0000 0.3434 ( 14352 PWs) bands (ev): -1.1589 -1.1589 -0.0543 -0.0543 -0.0487 -0.0487 0.8550 0.8550 0.8631 0.8631 0.8663 0.8663 1.4879 1.4879 3.2461 3.2461 4.8129 4.8129 4.8589 4.8589 4.9621 4.9621 5.5052 5.5052 5.8555 5.8555 6.0172 6.0172 6.5587 6.5587 6.6401 6.6401 6.7717 6.7717 6.8761 6.8761 6.9103 6.9103 6.9279 6.9279 7.2549 7.2549 7.3532 7.3532 7.4240 7.4240 7.7991 7.7991 7.8062 7.8062 8.3436 8.3436 8.4352 8.4352 8.4781 8.4781 8.7984 8.7984 9.0088 9.0088 9.0461 9.0461 9.0971 9.0971 9.1030 9.1030 9.4444 9.4444 9.5178 9.5178 9.5291 9.5291 9.8030 9.8030 9.8678 9.8678 10.7995 10.7995 10.8794 10.8794 11.7475 11.7475 11.7550 11.7550 11.8794 11.8794 11.9313 11.9313 12.1581 12.1581 12.2076 12.2076 12.3158 12.3159 k = 0.0000 0.0000 0.3698 ( 14328 PWs) bands (ev): -1.1204 -1.1204 -0.0298 -0.0298 -0.0243 -0.0243 0.7930 0.7930 0.8506 0.8506 0.8534 0.8534 1.5141 1.5141 3.1678 3.1678 4.7810 4.7810 4.8259 4.8259 5.0052 5.0052 5.5570 5.5570 5.8121 5.8121 5.9642 5.9642 6.5722 6.5722 6.6661 6.6661 6.7802 6.7802 6.9313 6.9313 6.9334 6.9334 6.9856 6.9856 7.2550 7.2550 7.4067 7.4067 7.4093 7.4093 7.7993 7.7993 7.8108 7.8108 8.3584 8.3584 8.4288 8.4288 8.4888 8.4888 8.7252 8.7252 8.9787 8.9787 9.0194 9.0194 9.1354 9.1354 9.1410 9.1410 9.4916 9.4916 9.5305 9.5305 9.5407 9.5407 9.8715 9.8715 9.9463 9.9463 10.8166 10.8166 10.8951 10.8951 11.7436 11.7436 11.7477 11.7477 11.8770 11.8770 11.9278 11.9278 12.1750 12.1750 12.1896 12.1896 12.2934 12.2934 k = 0.0000 0.0000 0.3962 ( 14340 PWs) bands (ev): -1.0793 -1.0793 -0.0038 -0.0038 0.0016 0.0016 0.7285 0.7285 0.8363 0.8363 0.8388 0.8388 1.5422 1.5422 3.0899 3.0899 4.7544 4.7544 4.7985 4.7985 5.0509 5.0509 5.6118 5.6118 5.7648 5.7648 5.9077 5.9077 6.5862 6.5862 6.6895 6.6895 6.7887 6.7887 6.9287 6.9287 6.9483 6.9483 7.0946 7.0946 7.1897 7.1897 7.4612 7.4612 7.4707 7.4707 7.8035 7.8035 7.8187 7.8187 8.3688 8.3688 8.4239 8.4239 8.5065 8.5065 8.6428 8.6428 8.9466 8.9466 8.9911 8.9911 9.1738 9.1738 9.1794 9.1794 9.5422 9.5422 9.5484 9.5484 9.5543 9.5543 9.9430 9.9430 10.0219 10.0219 10.8362 10.8362 10.9133 10.9133 11.7429 11.7429 11.7443 11.7443 11.8762 11.8762 11.9259 11.9259 12.1434 12.1434 12.1861 12.1861 12.2686 12.2687 k = 0.0000 0.0000 0.4226 ( 14310 PWs) bands (ev): -1.0356 -1.0356 0.0236 0.0236 0.0289 0.0289 0.6618 0.6618 0.8203 0.8203 0.8225 0.8225 1.5723 1.5723 3.0126 3.0126 4.7334 4.7334 4.7770 4.7770 5.0993 5.0993 5.6695 5.6695 5.7138 5.7138 5.8481 5.8481 6.6007 6.6007 6.7087 6.7087 6.7972 6.7972 6.9220 6.9220 6.9571 6.9571 7.1116 7.1116 7.2015 7.2015 7.5332 7.5332 7.5345 7.5345 7.8119 7.8119 7.8300 7.8300 8.3756 8.3756 8.4206 8.4206 8.5307 8.5307 8.5555 8.5555 8.9137 8.9137 8.9614 8.9614 9.2122 9.2122 9.2177 9.2177 9.5531 9.5531 9.5616 9.5616 9.6174 9.6174 10.0168 10.0168 10.0947 10.0947 10.8585 10.8585 10.9340 10.9340 11.7449 11.7449 11.7455 11.7455 11.8771 11.8771 11.9256 11.9256 12.1113 12.1113 12.1134 12.1134 12.2414 12.2414 k = 0.0000 0.0000 0.4490 ( 14292 PWs) bands (ev): -0.9895 -0.9895 0.0523 0.0523 0.0575 0.0575 0.5934 0.5934 0.8025 0.8025 0.8043 0.8043 1.6043 1.6043 2.9363 2.9363 4.7181 4.7181 4.7614 4.7614 5.1501 5.1501 5.6598 5.6598 5.7298 5.7298 5.7859 5.7859 6.6155 6.6155 6.7199 6.7199 6.8057 6.8057 6.9123 6.9123 6.9615 6.9615 7.0374 7.0374 7.3049 7.3049 7.5981 7.5981 7.6076 7.6076 7.8246 7.8246 7.8446 7.8446 8.3805 8.3805 8.4189 8.4189 8.4662 8.4662 8.5607 8.5607 8.8802 8.8802 8.9304 8.9304 9.2502 9.2502 9.2557 9.2557 9.5630 9.5630 9.5708 9.5708 9.6864 9.6864 10.0921 10.0921 10.1643 10.1643 10.8836 10.8836 10.9574 10.9574 11.7496 11.7496 11.7509 11.7509 11.8794 11.8794 11.9268 11.9268 12.0084 12.0084 12.0856 12.0856 12.2114 12.2114 k = 0.0000 0.0000 0.4754 ( 14304 PWs) bands (ev): -0.9410 -0.9410 0.0823 0.0823 0.0873 0.0873 0.5235 0.5235 0.7828 0.7828 0.7842 0.7842 1.6382 1.6382 2.8612 2.8612 4.7085 4.7085 4.7518 4.7518 5.2033 5.2033 5.6031 5.6031 5.7215 5.7215 5.7930 5.7930 6.6306 6.6306 6.7165 6.7165 6.8141 6.8141 6.8994 6.8994 6.9628 6.9628 6.9767 6.9767 7.4030 7.4030 7.6595 7.6595 7.6803 7.6803 7.8416 7.8416 7.8623 7.8623 8.3774 8.3774 8.3847 8.3847 8.4187 8.4187 8.5964 8.5964 8.8463 8.8463 8.8980 8.8980 9.2875 9.2875 9.2932 9.2932 9.5719 9.5719 9.5789 9.5789 9.7548 9.7548 10.1680 10.1680 10.2307 10.2307 10.9115 10.9115 10.9834 10.9834 11.7568 11.7568 11.7583 11.7583 11.8831 11.8831 11.9058 11.9058 11.9290 11.9290 12.0609 12.0609 12.1783 12.1785 k = 0.0000 0.0000 0.5018 ( 14316 PWs) bands (ev): -0.8901 -0.8901 0.1134 0.1134 0.1183 0.1183 0.4523 0.4523 0.7613 0.7613 0.7623 0.7623 1.6740 1.6740 2.7873 2.7873 4.7047 4.7047 4.7483 4.7483 5.2585 5.2585 5.5443 5.5443 5.6562 5.6562 5.8581 5.8581 6.6461 6.6461 6.6896 6.6896 6.8225 6.8225 6.8823 6.8823 6.9392 6.9392 6.9618 6.9618 7.4936 7.4936 7.7168 7.7168 7.7495 7.7495 7.8627 7.8627 7.8828 7.8828 8.2913 8.2913 8.3889 8.3889 8.4202 8.4202 8.6385 8.6385 8.8119 8.8119 8.8646 8.8646 9.3240 9.3240 9.3298 9.3298 9.5800 9.5800 9.5858 9.5858 9.8190 9.8190 10.2435 10.2435 10.2936 10.2936 10.9422 10.9422 11.0123 11.0123 11.7474 11.7474 11.7709 11.7709 11.8275 11.8275 11.8876 11.8876 11.9313 11.9313 12.0399 12.0399 12.1418 12.1418 k = 0.0000 0.0000 0.5282 ( 14334 PWs) bands (ev): -0.8369 -0.8369 0.1456 0.1456 0.1503 0.1503 0.3802 0.3802 0.7379 0.7379 0.7386 0.7386 1.7118 1.7118 2.7148 2.7148 4.7067 4.7067 4.7507 4.7507 5.3153 5.3153 5.4840 5.4840 5.5906 5.5906 5.9255 5.9255 6.6376 6.6376 6.6618 6.6618 6.8308 6.8308 6.8641 6.8641 6.9233 6.9233 6.9592 6.9592 7.5749 7.5749 7.7689 7.7689 7.8140 7.8140 7.8876 7.8876 7.9059 7.9059 8.2096 8.2096 8.3936 8.3936 8.4233 8.4233 8.6884 8.6884 8.7771 8.7771 8.8303 8.8303 9.3592 9.3592 9.3653 9.3653 9.5871 9.5871 9.5915 9.5915 9.8748 9.8748 10.3171 10.3171 10.3528 10.3528 10.9760 10.9760 11.0441 11.0441 11.6852 11.6852 11.7871 11.7871 11.8161 11.8161 11.8920 11.8920 11.9319 11.9319 12.0236 12.0236 12.1016 12.1018 k = 0.0000 0.0000 0.5547 ( 14358 PWs) bands (ev): -0.7815 -0.7815 0.1786 0.1786 0.1832 0.1832 0.3074 0.3074 0.7129 0.7129 0.7132 0.7132 1.7515 1.7515 2.6438 2.6438 4.7145 4.7145 4.7592 4.7592 5.3715 5.3715 5.4227 5.4227 5.5273 5.5273 5.9946 5.9946 6.5693 6.5693 6.6778 6.6778 6.8390 6.8390 6.8465 6.8465 6.9175 6.9175 6.9553 6.9553 7.6449 7.6449 7.8150 7.8150 7.8728 7.8728 7.9153 7.9153 7.9308 7.9308 8.1341 8.1341 8.3991 8.3991 8.4280 8.4280 8.7422 8.7422 8.7473 8.7473 8.7954 8.7954 9.3930 9.3930 9.3993 9.3993 9.5933 9.5933 9.5960 9.5960 9.9174 9.9174 10.3875 10.3875 10.4083 10.4083 11.0130 11.0130 11.0791 11.0791 11.6140 11.6140 11.8062 11.8062 11.8325 11.8325 11.8945 11.8945 11.9259 11.9259 12.0129 12.0129 12.0588 12.0590 k = 0.0000 0.0000 0.5811 ( 14346 PWs) bands (ev): -0.7241 -0.7241 0.2125 0.2125 0.2169 0.2169 0.2342 0.2342 0.6860 0.6860 0.6861 0.6861 1.7931 1.7931 2.5745 2.5745 4.7279 4.7279 4.7735 4.7735 5.3610 5.3610 5.4093 5.4093 5.4847 5.4847 6.0653 6.0653 6.4932 6.4932 6.6941 6.6941 6.8274 6.8274 6.8473 6.8473 6.9140 6.9140 6.9505 6.9505 7.7028 7.7028 7.8556 7.8556 7.9253 7.9253 7.9442 7.9442 7.9569 7.9569 8.0664 8.0664 8.4054 8.4054 8.4345 8.4345 8.7073 8.7073 8.7602 8.7602 8.8164 8.8164 9.4250 9.4250 9.4315 9.4315 9.5983 9.5983 9.5993 9.5993 9.9420 9.9420 10.4530 10.4530 10.4596 10.4596 11.0533 11.0533 11.1174 11.1174 11.5593 11.5593 11.8265 11.8265 11.8559 11.8559 11.8912 11.8912 11.9033 11.9033 12.0089 12.0089 12.0174 12.0192 k = 0.0000 0.0000 0.6075 ( 14382 PWs) bands (ev): -0.6646 -0.6646 0.1608 0.1608 0.2471 0.2471 0.2513 0.2513 0.6573 0.6573 0.6578 0.6578 1.8366 1.8366 2.5068 2.5068 4.7467 4.7467 4.7935 4.7935 5.2994 5.2994 5.3727 5.3727 5.5192 5.5192 6.1370 6.1370 6.4138 6.4138 6.7105 6.7105 6.8054 6.8054 6.8554 6.8554 6.9087 6.9087 6.9450 6.9450 7.7483 7.7483 7.8915 7.8915 7.9700 7.9700 7.9719 7.9719 7.9831 7.9831 8.0088 8.0088 8.4129 8.4129 8.4428 8.4428 8.6727 8.6727 8.7251 8.7251 8.8959 8.8959 9.4550 9.4550 9.4615 9.4615 9.6012 9.6012 9.6021 9.6021 9.9442 9.9442 10.5065 10.5065 10.5120 10.5120 11.0972 11.0972 11.1592 11.1592 11.5280 11.5280 11.8398 11.8398 11.8573 11.8573 11.8798 11.8798 11.8825 11.8825 11.9867 11.9873 12.0110 12.0114 k = 0.0000 0.0000 0.6339 ( 14382 PWs) bands (ev): -0.6033 -0.6033 0.0874 0.0874 0.2822 0.2822 0.2862 0.2862 0.6272 0.6272 0.6280 0.6280 1.8821 1.8821 2.4408 2.4408 4.7709 4.7709 4.8191 4.8191 5.2386 5.2386 5.3119 5.3119 5.5810 5.5810 6.2094 6.2094 6.3333 6.3333 6.7272 6.7272 6.7794 6.7794 6.8636 6.8636 6.8998 6.8998 6.9389 6.9389 7.7826 7.7826 7.9237 7.9237 7.9577 7.9577 7.9962 7.9962 8.0086 8.0086 8.0110 8.0110 8.4216 8.4216 8.4531 8.4531 8.6388 8.6388 8.6905 8.6905 8.9852 8.9852 9.4827 9.4827 9.4892 9.4892 9.6014 9.6014 9.6044 9.6044 9.9219 9.9219 10.5486 10.5486 10.5630 10.5630 11.1447 11.1447 11.2047 11.2047 11.5229 11.5229 11.7955 11.7955 11.8124 11.8124 11.8867 11.8867 11.9106 11.9106 11.9729 11.9729 12.0109 12.0111 k = 0.0000 0.0000 0.6603 ( 14394 PWs) bands (ev): -0.5401 -0.5401 0.0143 0.0143 0.3177 0.3177 0.3214 0.3214 0.5957 0.5957 0.5970 0.5970 1.9295 1.9295 2.3766 2.3766 4.8001 4.8001 4.8499 4.8499 5.1789 5.1789 5.2496 5.2496 5.6480 5.6480 6.2526 6.2526 6.2819 6.2819 6.7441 6.7441 6.7480 6.7480 6.8717 6.8717 6.8868 6.8868 6.9323 6.9323 7.8070 7.8070 7.9201 7.9201 7.9527 7.9527 8.0155 8.0155 8.0322 8.0322 8.0413 8.0413 8.4318 8.4318 8.4655 8.4655 8.6060 8.6060 8.6568 8.6568 9.0829 9.0829 9.5079 9.5079 9.5141 9.5141 9.5998 9.5998 9.6050 9.6050 9.8755 9.8755 10.5854 10.5854 10.6046 10.6046 11.1962 11.1962 11.2541 11.2541 11.5433 11.5433 11.7264 11.7264 11.7562 11.7562 11.9065 11.9065 11.9384 11.9384 11.9694 11.9694 12.0105 12.0107 k = 0.0000 0.0000 0.6867 ( 14370 PWs) bands (ev): -0.4753 -0.4753 -0.0584 -0.0584 0.3534 0.3534 0.3569 0.3569 0.5632 0.5632 0.5648 0.5648 1.9787 1.9787 2.3142 2.3142 4.8342 4.8342 4.8857 4.8857 5.1210 5.1210 5.1884 5.1884 5.7177 5.7177 6.1725 6.1725 6.3536 6.3536 6.7103 6.7103 6.7613 6.7613 6.8707 6.8707 6.8797 6.8797 6.9254 6.9254 7.8237 7.8237 7.8918 7.8918 7.9783 7.9783 8.0288 8.0288 8.0529 8.0529 8.0644 8.0644 8.4440 8.4440 8.4803 8.4803 8.5749 8.5749 8.6245 8.6245 9.1868 9.1868 9.5305 9.5305 9.5362 9.5362 9.5957 9.5957 9.6035 9.6035 9.8085 9.8085 10.6164 10.6164 10.6359 10.6359 11.2517 11.2517 11.3073 11.3073 11.5858 11.5858 11.6543 11.6543 11.6913 11.6913 11.9258 11.9258 11.9638 11.9638 11.9689 11.9689 12.0035 12.0035 k = 0.0000 0.0000 0.7131 ( 14346 PWs) bands (ev): -0.4089 -0.4089 -0.1304 -0.1304 0.3892 0.3892 0.3924 0.3924 0.5296 0.5296 0.5316 0.5316 2.0299 2.0299 2.2536 2.2536 4.8727 4.8727 4.9263 4.9263 5.0652 5.0652 5.1295 5.1295 5.7895 5.7895 6.0932 6.0932 6.4238 6.4238 6.6654 6.6654 6.7789 6.7789 6.8526 6.8526 6.8877 6.8877 6.9182 6.9182 7.8348 7.8348 7.8720 7.8720 8.0001 8.0001 8.0355 8.0355 8.0698 8.0698 8.0798 8.0798 8.4585 8.4585 8.4976 8.4976 8.5459 8.5459 8.5941 8.5941 9.2945 9.2945 9.5506 9.5506 9.5552 9.5552 9.5879 9.5879 9.5996 9.5996 9.7262 9.7262 10.6408 10.6408 10.6566 10.6566 11.3110 11.3110 11.3645 11.3645 11.5816 11.5816 11.6235 11.6235 11.6456 11.6456 11.9417 11.9417 11.9561 11.9561 11.9684 11.9684 11.9852 11.9852 k = 0.0000 0.0000 0.7395 ( 14328 PWs) bands (ev): -0.3410 -0.3410 -0.2017 -0.2017 0.4248 0.4248 0.4278 0.4278 0.4952 0.4952 0.4975 0.4975 2.0830 2.0830 2.1949 2.1949 4.9155 4.9155 4.9714 4.9714 5.0121 5.0121 5.0734 5.0734 5.8631 5.8631 6.0152 6.0152 6.4913 6.4913 6.6134 6.6134 6.7968 6.7968 6.8339 6.8339 6.8955 6.8955 6.9108 6.9108 7.8427 7.8427 7.8588 7.8588 8.0174 8.0174 8.0357 8.0357 8.0819 8.0819 8.0876 8.0876 8.4757 8.4757 8.5176 8.5176 8.5195 8.5195 8.5659 8.5659 9.4027 9.4027 9.5689 9.5689 9.5699 9.5699 9.5710 9.5710 9.5931 9.5931 9.6395 9.6395 10.6580 10.6580 10.6667 10.6667 11.3741 11.3741 11.4252 11.4252 11.5101 11.5101 11.5556 11.5556 11.7174 11.7174 11.8781 11.8781 11.9536 11.9536 11.9662 11.9662 12.0015 12.0015 k = 0.0000 0.0000 0.7660 ( 14304 PWs) bands (ev): -0.2719 -0.2719 -0.2719 -0.2719 0.4603 0.4603 0.4603 0.4603 0.4629 0.4629 0.4629 0.4629 2.1380 2.1380 2.1380 2.1380 4.9621 4.9621 4.9621 4.9621 5.0205 5.0205 5.0205 5.0205 5.9384 5.9384 5.9384 5.9384 6.5550 6.5550 6.5550 6.5550 6.8152 6.8152 6.8152 6.8152 6.9032 6.9032 6.9032 6.9032 7.8499 7.8499 7.8499 7.8499 8.0295 8.0295 8.0295 8.0295 8.0881 8.0881 8.0881 8.0881 8.4960 8.4960 8.4960 8.4960 8.5404 8.5404 8.5404 8.5404 9.5049 9.5049 9.5049 9.5049 9.5836 9.5836 9.5836 9.5836 9.5891 9.5891 9.5891 9.5891 10.6669 10.6669 10.6669 10.6669 11.4406 11.4406 11.4406 11.4406 11.4891 11.4891 11.4891 11.4891 11.7964 11.7964 11.7964 11.7964 11.9615 11.9615 11.9615 11.9616 12.0129 12.0129 k = 0.0000 0.0000 0.7660 ( 14304 PWs) bands (ev): -0.2719 -0.2719 -0.2719 -0.2719 0.4603 0.4603 0.4603 0.4603 0.4629 0.4629 0.4629 0.4629 2.1380 2.1380 2.1380 2.1380 4.9621 4.9621 4.9621 4.9621 5.0205 5.0205 5.0205 5.0205 5.9384 5.9384 5.9384 5.9384 6.5550 6.5550 6.5550 6.5550 6.8152 6.8152 6.8152 6.8152 6.9032 6.9032 6.9032 6.9032 7.8499 7.8499 7.8499 7.8499 8.0295 8.0295 8.0295 8.0295 8.0881 8.0881 8.0881 8.0881 8.4960 8.4960 8.4960 8.4960 8.5404 8.5404 8.5404 8.5404 9.5049 9.5049 9.5049 9.5049 9.5836 9.5836 9.5836 9.5836 9.5891 9.5891 9.5891 9.5891 10.6669 10.6669 10.6669 10.6669 11.4406 11.4406 11.4406 11.4406 11.4891 11.4891 11.4891 11.4891 11.7964 11.7964 11.7964 11.7964 11.9615 11.9615 11.9615 11.9616 12.0129 12.0129 k = 0.0227 0.0131 0.7660 ( 14330 PWs) bands (ev): -0.2709 -0.2709 -0.2709 -0.2709 0.4597 0.4597 0.4597 0.4597 0.4624 0.4624 0.4624 0.4624 2.1367 2.1367 2.1367 2.1367 4.9631 4.9631 4.9633 4.9633 5.0217 5.0217 5.0219 5.0219 5.9415 5.9415 5.9415 5.9415 6.5499 6.5499 6.5500 6.5500 6.8164 6.8164 6.8166 6.8166 6.9059 6.9059 6.9060 6.9060 7.8453 7.8453 7.8453 7.8453 8.0286 8.0286 8.0291 8.0291 8.0883 8.0883 8.0888 8.0888 8.4969 8.4969 8.4972 8.4972 8.5412 8.5412 8.5415 8.5415 9.5051 9.5051 9.5051 9.5051 9.5827 9.5827 9.5827 9.5827 9.5915 9.5915 9.5915 9.5915 10.6676 10.6676 10.6676 10.6676 11.4364 11.4364 11.4364 11.4364 11.4860 11.4860 11.4860 11.4860 11.7993 11.7993 11.7994 11.7994 11.9594 11.9594 11.9603 11.9603 12.0101 12.0103 k = 0.0455 0.0262 0.7660 ( 14330 PWs) bands (ev): -0.2680 -0.2680 -0.2680 -0.2680 0.4581 0.4581 0.4581 0.4581 0.4609 0.4609 0.4610 0.4610 2.1328 2.1328 2.1328 2.1328 4.9651 4.9651 4.9665 4.9665 5.0255 5.0255 5.0271 5.0271 5.9505 5.9505 5.9507 5.9507 6.5353 6.5353 6.5360 6.5360 6.8194 6.8194 6.8211 6.8211 6.9131 6.9131 6.9140 6.9140 7.8319 7.8319 7.8323 7.8323 8.0246 8.0246 8.0285 8.0285 8.0882 8.0882 8.0914 8.0914 8.4988 8.4988 8.5014 8.5014 8.5431 8.5431 8.5457 8.5457 9.5057 9.5057 9.5058 9.5058 9.5815 9.5815 9.5815 9.5815 9.5970 9.5970 9.5972 9.5972 10.6696 10.6696 10.6696 10.6696 11.4237 11.4237 11.4239 11.4239 11.4765 11.4765 11.4765 11.4765 11.8073 11.8073 11.8083 11.8083 11.9511 11.9511 11.9571 11.9571 12.0011 12.0033 k = 0.0682 0.0394 0.7660 ( 14346 PWs) bands (ev): -0.2631 -0.2631 -0.2631 -0.2631 0.4551 0.4551 0.4553 0.4553 0.4585 0.4585 0.4587 0.4587 2.1265 2.1265 2.1265 2.1265 4.9661 4.9661 4.9703 4.9703 5.0335 5.0335 5.0381 5.0381 5.9651 5.9651 5.9659 5.9659 6.5127 6.5127 6.5150 6.5150 6.8231 6.8231 6.8278 6.8278 6.9238 6.9238 6.9262 6.9262 7.8114 7.8114 7.8123 7.8123 8.0164 8.0164 8.0268 8.0268 8.0869 8.0869 8.0955 8.0955 8.5010 8.5010 8.5092 8.5092 8.5460 8.5460 8.5540 8.5540 9.5067 9.5067 9.5073 9.5073 9.5804 9.5804 9.5805 9.5805 9.6048 9.6048 9.6055 9.6055 10.6727 10.6727 10.6727 10.6727 11.4031 11.4031 11.4035 11.4035 11.4604 11.4604 11.4605 11.4605 11.8183 11.8183 11.8220 11.8220 11.9357 11.9357 11.9523 11.9523 11.9885 11.9896 k = 0.0909 0.0525 0.7660 ( 14336 PWs) bands (ev): -0.2562 -0.2562 -0.2562 -0.2562 0.4507 0.4507 0.4511 0.4511 0.4556 0.4556 0.4559 0.4559 2.1179 2.1179 2.1180 2.1180 4.9650 4.9650 4.9726 4.9726 5.0477 5.0477 5.0563 5.0563 5.9846 5.9846 5.9867 5.9867 6.4844 6.4844 6.4891 6.4891 6.8271 6.8271 6.8363 6.8363 6.9366 6.9366 6.9410 6.9410 7.7855 7.7855 7.7868 7.7868 8.0035 8.0035 8.0224 8.0224 8.0847 8.0847 8.1003 8.1003 8.5029 8.5029 8.5195 8.5195 8.5512 8.5512 8.5675 8.5675 9.5086 9.5086 9.5098 9.5098 9.5795 9.5795 9.5796 9.5796 9.6145 9.6145 9.6160 9.6160 10.6769 10.6769 10.6769 10.6769 11.3754 11.3754 11.3762 11.3762 11.4374 11.4374 11.4376 11.4376 11.8284 11.8284 11.8378 11.8378 11.9180 11.9180 11.9462 11.9462 11.9791 11.9793 k = 0.1136 0.0656 0.7660 ( 14340 PWs) bands (ev): -0.2474 -0.2474 -0.2474 -0.2474 0.4449 0.4449 0.4453 0.4453 0.4521 0.4521 0.4525 0.4525 2.1073 2.1073 2.1073 2.1073 4.9620 4.9620 4.9727 4.9727 5.0690 5.0690 5.0815 5.0815 6.0084 6.0084 6.0124 6.0124 6.4520 6.4520 6.4601 6.4601 6.8310 6.8310 6.8460 6.8460 6.9500 6.9500 6.9567 6.9567 7.7556 7.7556 7.7568 7.7568 7.9863 7.9863 8.0131 8.0131 8.0831 8.0831 8.1049 8.1049 8.5041 8.5041 8.5279 8.5279 8.5632 8.5632 8.5864 8.5864 9.5113 9.5113 9.5134 9.5134 9.5787 9.5787 9.5790 9.5790 9.6256 9.6256 9.6283 9.6283 10.6817 10.6817 10.6819 10.6819 11.3417 11.3417 11.3432 11.3432 11.4069 11.4069 11.4074 11.4074 11.8317 11.8317 11.8474 11.8474 11.9085 11.9085 11.9427 11.9427 11.9781 11.9783 k = 0.1364 0.0787 0.7660 ( 14336 PWs) bands (ev): -0.2368 -0.2368 -0.2368 -0.2368 0.4375 0.4375 0.4379 0.4379 0.4482 0.4482 0.4487 0.4487 2.0949 2.0949 2.0950 2.0950 4.9578 4.9578 4.9709 4.9709 5.0971 5.0971 5.1130 5.1130 6.0353 6.0353 6.0424 6.0424 6.4172 6.4172 6.4298 6.4298 6.8346 6.8346 6.8565 6.8565 6.9626 6.9626 6.9720 6.9720 7.7228 7.7228 7.7231 7.7231 7.9655 7.9655 7.9979 7.9979 8.0834 8.0834 8.1094 8.1094 8.5045 8.5045 8.5311 8.5311 8.5846 8.5846 8.6104 8.6104 9.5152 9.5152 9.5184 9.5184 9.5781 9.5781 9.5785 9.5785 9.6378 9.6378 9.6420 9.6420 10.6869 10.6869 10.6872 10.6872 11.3032 11.3032 11.3055 11.3055 11.3693 11.3693 11.3706 11.3706 11.8267 11.8267 11.8424 11.8424 11.9121 11.9121 11.9394 11.9394 11.9887 11.9892 k = 0.1591 0.0919 0.7660 ( 14336 PWs) bands (ev): -0.2244 -0.2244 -0.2244 -0.2244 0.4285 0.4285 0.4290 0.4290 0.4440 0.4440 0.4445 0.4445 2.0810 2.0810 2.0811 2.0811 4.9532 4.9532 4.9679 4.9679 5.1312 5.1312 5.1501 5.1501 6.0642 6.0642 6.0758 6.0758 6.3812 6.3812 6.3996 6.3996 6.8377 6.8377 6.8677 6.8677 6.9735 6.9735 6.9859 6.9859 7.6860 7.6860 7.6878 7.6878 7.9423 7.9423 7.9777 7.9777 8.0856 8.0856 8.1137 8.1137 8.5040 8.5040 8.5309 8.5309 8.6128 8.6128 8.6388 8.6388 9.5203 9.5203 9.5248 9.5248 9.5776 9.5776 9.5784 9.5784 9.6510 9.6510 9.6569 9.6569 10.6917 10.6917 10.6922 10.6922 11.2611 11.2611 11.2641 11.2641 11.3263 11.3263 11.3286 11.3286 11.8179 11.8179 11.8299 11.8299 11.9048 11.9048 11.9250 11.9250 11.9855 11.9856 k = 0.1818 0.1050 0.7660 ( 14320 PWs) bands (ev): -0.2102 -0.2102 -0.2102 -0.2102 0.4180 0.4180 0.4185 0.4185 0.4396 0.4396 0.4401 0.4401 2.0661 2.0661 2.0662 2.0662 4.9486 4.9486 4.9644 4.9644 5.1706 5.1706 5.1921 5.1921 6.0931 6.0931 6.1114 6.1114 6.3453 6.3453 6.3718 6.3718 6.8396 6.8396 6.8793 6.8793 6.9816 6.9816 6.9977 6.9977 7.6462 7.6462 7.6511 7.6511 7.9178 7.9178 7.9543 7.9543 8.0894 8.0894 8.1181 8.1181 8.5027 8.5027 8.5288 8.5288 8.6454 8.6454 8.6705 8.6705 9.5266 9.5266 9.5328 9.5328 9.5773 9.5773 9.5788 9.5788 9.6650 9.6650 9.6728 9.6728 10.6950 10.6950 10.6960 10.6960 11.2162 11.2162 11.2189 11.2189 11.2812 11.2812 11.2840 11.2840 11.8071 11.8071 11.8121 11.8121 11.8773 11.8773 11.8952 11.8952 11.9690 11.9690 k = 0.2045 0.1181 0.7660 ( 14324 PWs) bands (ev): -0.1943 -0.1943 -0.1942 -0.1942 0.4059 0.4059 0.4063 0.4063 0.4349 0.4349 0.4354 0.4354 2.0504 2.0504 2.0506 2.0506 4.9445 4.9445 4.9609 4.9609 5.2146 5.2146 5.2385 5.2385 6.1190 6.1190 6.1472 6.1472 6.3115 6.3115 6.3490 6.3490 6.8396 6.8396 6.8908 6.8908 6.9863 6.9863 7.0073 7.0073 7.6040 7.6040 7.6134 7.6134 7.8935 7.8935 7.9294 7.9294 8.0942 8.0942 8.1225 8.1225 8.5005 8.5005 8.5254 8.5254 8.6806 8.6806 8.7046 8.7046 9.5339 9.5339 9.5422 9.5422 9.5774 9.5774 9.5800 9.5800 9.6799 9.6799 9.6896 9.6896 10.6952 10.6952 10.6971 10.6971 11.1701 11.1701 11.1703 11.1703 11.2381 11.2381 11.2396 11.2396 11.7792 11.7792 11.7878 11.7878 11.8564 11.8564 11.8642 11.8642 11.9582 11.9583 k = 0.2273 0.1312 0.7660 ( 14330 PWs) bands (ev): -0.1767 -0.1767 -0.1767 -0.1767 0.3921 0.3921 0.3925 0.3925 0.4302 0.4302 0.4307 0.4307 2.0342 2.0342 2.0345 2.0345 4.9410 4.9410 4.9575 4.9575 5.2628 5.2628 5.2886 5.2886 6.1375 6.1375 6.1780 6.1780 6.2849 6.2849 6.3357 6.3357 6.8367 6.8367 6.9015 6.9015 6.9873 6.9873 7.0147 7.0147 7.5605 7.5605 7.5752 7.5752 7.8703 7.8703 7.9046 7.9046 8.0996 8.0996 8.1270 8.1270 8.4977 8.4977 8.5211 8.5211 8.7172 8.7172 8.7399 8.7399 9.5418 9.5418 9.5528 9.5528 9.5782 9.5782 9.5826 9.5826 9.6958 9.6958 9.7075 9.7075 10.6903 10.6903 10.6935 10.6935 11.1199 11.1199 11.1250 11.1250 11.1979 11.1979 11.1999 11.1999 11.7304 11.7304 11.7498 11.7498 11.8491 11.8491 11.8502 11.8502 11.9483 11.9483 k = 0.2500 0.1443 0.7660 ( 14330 PWs) bands (ev): -0.1577 -0.1577 -0.1577 -0.1577 0.3768 0.3768 0.3771 0.3771 0.4256 0.4256 0.4260 0.4260 2.0181 2.0181 2.0183 2.0183 4.9383 4.9383 4.9547 4.9547 5.3145 5.3145 5.3419 5.3419 6.1436 6.1436 6.1879 6.1879 6.2809 6.2809 6.3368 6.3368 6.8296 6.8296 6.9098 6.9098 6.9850 6.9850 7.0203 7.0203 7.5169 7.5169 7.5373 7.5373 7.8488 7.8488 7.8810 7.8810 8.1054 8.1054 8.1316 8.1316 8.4943 8.4943 8.5161 8.5161 8.7542 8.7542 8.7756 8.7756 9.5495 9.5495 9.5635 9.5635 9.5807 9.5807 9.5872 9.5872 9.7130 9.7130 9.7266 9.7266 10.6772 10.6772 10.6826 10.6826 11.0710 11.0710 11.0840 11.0840 11.1606 11.1606 11.1679 11.1679 11.6747 11.6747 11.6986 11.6986 11.8458 11.8458 11.8509 11.8509 11.9376 11.9376 k = 0.2727 0.1575 0.7660 ( 14330 PWs) bands (ev): -0.1372 -0.1372 -0.1372 -0.1372 0.3598 0.3598 0.3601 0.3601 0.4210 0.4210 0.4213 0.4213 2.0022 2.0022 2.0025 2.0025 4.9365 4.9365 4.9524 4.9524 5.3691 5.3691 5.3978 5.3978 6.1367 6.1367 6.1703 6.1703 6.3062 6.3062 6.3526 6.3526 6.8173 6.8173 6.9125 6.9125 6.9815 6.9815 7.0246 7.0246 7.4745 7.4745 7.5005 7.5005 7.8296 7.8296 7.8591 7.8591 8.1114 8.1114 8.1361 8.1361 8.4905 8.4905 8.5105 8.5105 8.7908 8.7908 8.8107 8.8107 9.5560 9.5560 9.5706 9.5706 9.5883 9.5883 9.5948 9.5948 9.7318 9.7318 9.7471 9.7471 10.6535 10.6535 10.6617 10.6617 11.0276 11.0276 11.0500 11.0500 11.1291 11.1291 11.1431 11.1431 11.6170 11.6170 11.6427 11.6427 11.8434 11.8434 11.8526 11.8526 11.9278 11.9278 k = 0.2955 0.1706 0.7660 ( 14342 PWs) bands (ev): -0.1154 -0.1154 -0.1154 -0.1154 0.3413 0.3413 0.3415 0.3415 0.4166 0.4166 0.4169 0.4169 1.9869 1.9869 1.9872 1.9872 4.9356 4.9356 4.9506 4.9506 5.4260 5.4260 5.4555 5.4555 6.1211 6.1211 6.1428 6.1428 6.3425 6.3425 6.3785 6.3785 6.7989 6.7989 6.9049 6.9049 6.9807 6.9807 7.0281 7.0281 7.4350 7.4350 7.4657 7.4657 7.8128 7.8128 7.8394 7.8394 8.1175 8.1175 8.1404 8.1404 8.4863 8.4863 8.5047 8.5047 8.8260 8.8260 8.8444 8.8444 9.5607 9.5607 9.5733 9.5733 9.6017 9.6017 9.6058 9.6058 9.7526 9.7526 9.7695 9.7695 10.6180 10.6180 10.6290 10.6290 10.9919 10.9919 11.0238 11.0238 11.1051 11.1051 11.1260 11.1260 11.5597 11.5597 11.5861 11.5861 11.8327 11.8327 11.8485 11.8485 11.9243 11.9284 k = 0.3182 0.1837 0.7660 ( 14346 PWs) bands (ev): -0.0924 -0.0924 -0.0924 -0.0924 0.3213 0.3213 0.3215 0.3215 0.4124 0.4124 0.4127 0.4127 1.9725 1.9725 1.9728 1.9728 4.9355 4.9355 4.9495 4.9495 5.4846 5.4846 5.5141 5.5141 6.1018 6.1018 6.1140 6.1140 6.3811 6.3811 6.4095 6.4095 6.7744 6.7744 6.8848 6.8848 6.9843 6.9843 7.0310 7.0310 7.3998 7.3998 7.4335 7.4335 7.7984 7.7984 7.8220 7.8220 8.1235 8.1235 8.1444 8.1444 8.4821 8.4821 8.4986 8.4986 8.8593 8.8593 8.8761 8.8761 9.5641 9.5641 9.5744 9.5744 9.6176 9.6176 9.6193 9.6193 9.7759 9.7759 9.7941 9.7941 10.5718 10.5718 10.5851 10.5851 10.9644 10.9644 11.0037 11.0037 11.0897 11.0897 11.1163 11.1163 11.5051 11.5051 11.5315 11.5315 11.8088 11.8088 11.8304 11.8304 11.9298 11.9309 k = 0.3409 0.1968 0.7660 ( 14350 PWs) bands (ev): -0.0683 -0.0683 -0.0683 -0.0683 0.3000 0.3000 0.3001 0.3001 0.4086 0.4086 0.4088 0.4088 1.9592 1.9592 1.9595 1.9595 4.9361 4.9361 4.9488 4.9488 5.5439 5.5439 5.5727 5.5727 6.0818 6.0818 6.0864 6.0864 6.4188 6.4188 6.4419 6.4419 6.7445 6.7445 6.8544 6.8544 6.9902 6.9902 7.0332 7.0332 7.3699 7.3699 7.4047 7.4047 7.7863 7.7863 7.8069 7.8069 8.1293 8.1293 8.1481 8.1481 8.4779 8.4779 8.4925 8.4925 8.8900 8.8900 8.9052 8.9052 9.5665 9.5665 9.5751 9.5751 9.6345 9.6345 9.6345 9.6345 9.8020 9.8020 9.8211 9.8211 10.5176 10.5176 10.5324 10.5324 10.9441 10.9441 10.9876 10.9876 11.0822 11.0822 11.1127 11.1127 11.4555 11.4555 11.4813 11.4813 11.7740 11.7740 11.7975 11.7975 11.9424 11.9424 k = 0.3636 0.2099 0.7660 ( 14364 PWs) bands (ev): -0.0433 -0.0433 -0.0433 -0.0433 0.2773 0.2773 0.2774 0.2774 0.4051 0.4051 0.4053 0.4053 1.9472 1.9472 1.9475 1.9475 4.9372 4.9372 4.9485 4.9485 5.6028 5.6028 5.6299 5.6299 6.0612 6.0612 6.0631 6.0631 6.4540 6.4540 6.4736 6.4736 6.7107 6.7107 6.8168 6.8168 6.9965 6.9965 7.0345 7.0345 7.3458 7.3458 7.3794 7.3794 7.7764 7.7764 7.7940 7.7940 8.1348 8.1348 8.1513 8.1513 8.4740 8.4740 8.4866 8.4866 8.9176 8.9176 8.9310 8.9310 9.5685 9.5685 9.5756 9.5756 9.6504 9.6504 9.6513 9.6513 9.8313 9.8313 9.8511 9.8511 10.4584 10.4584 10.4741 10.4741 10.9298 10.9298 10.9746 10.9746 11.0795 11.0795 11.1122 11.1122 11.4140 11.4140 11.4385 11.4385 11.7322 11.7322 11.7554 11.7554 11.9557 11.9568 k = 0.3864 0.2231 0.7660 ( 14356 PWs) bands (ev): -0.0175 -0.0175 -0.0175 -0.0175 0.2536 0.2536 0.2537 0.2537 0.4021 0.4021 0.4023 0.4023 1.9368 1.9368 1.9371 1.9371 4.9388 4.9388 4.9484 4.9484 5.6602 5.6602 5.6842 5.6842 6.0392 6.0392 6.0467 6.0467 6.4853 6.4853 6.5027 6.5027 6.6756 6.6756 6.7751 6.7751 7.0019 7.0019 7.0345 7.0345 7.3274 7.3274 7.3579 7.3579 7.7685 7.7685 7.7832 7.7832 8.1399 8.1399 8.1539 8.1539 8.4705 8.4705 8.4811 8.4811 8.9417 8.9417 8.9532 8.9532 9.5701 9.5701 9.5759 9.5759 9.6659 9.6659 9.6674 9.6674 9.8642 9.8642 9.8841 9.8841 10.3967 10.3967 10.4128 10.4128 10.9211 10.9211 10.9653 10.9653 11.0766 11.0766 11.1107 11.1107 11.3844 11.3844 11.4071 11.4071 11.6864 11.6864 11.7084 11.7084 11.9702 11.9717 k = 0.4091 0.2362 0.7660 ( 14354 PWs) bands (ev): 0.0089 0.0089 0.0089 0.0089 0.2289 0.2289 0.2290 0.2290 0.3996 0.3996 0.3997 0.3997 1.9281 1.9281 1.9283 1.9283 4.9405 4.9405 4.9484 4.9484 5.7140 5.7140 5.7335 5.7335 6.0210 6.0210 6.0331 6.0331 6.5110 6.5110 6.5267 6.5267 6.6431 6.6431 6.7327 6.7327 7.0061 7.0061 7.0330 7.0330 7.3144 7.3144 7.3403 7.3403 7.7625 7.7625 7.7743 7.7743 8.1444 8.1444 8.1559 8.1559 8.4675 8.4675 8.4762 8.4762 8.9621 8.9621 8.9715 8.9715 9.5715 9.5715 9.5760 9.5760 9.6803 9.6803 9.6819 9.6819 9.9006 9.9006 9.9204 9.9204 10.3345 10.3345 10.3509 10.3509 10.9178 10.9178 10.9601 10.9601 11.0693 11.0693 11.1040 11.1040 11.3703 11.3703 11.3910 11.3910 11.6385 11.6385 11.6593 11.6593 11.9865 11.9894 k = 0.4318 0.2493 0.7660 ( 14350 PWs) bands (ev): 0.0355 0.0355 0.0356 0.0356 0.2036 0.2036 0.2036 0.2036 0.3976 0.3976 0.3977 0.3977 1.9212 1.9212 1.9214 1.9214 4.9424 4.9424 4.9484 4.9484 5.7616 5.7616 5.7753 5.7753 6.0074 6.0074 6.0225 6.0225 6.5295 6.5295 6.5415 6.5415 6.6199 6.6199 6.6937 6.6937 7.0093 7.0093 7.0302 7.0302 7.3060 7.3060 7.3262 7.3262 7.7583 7.7583 7.7671 7.7671 8.1484 8.1484 8.1571 8.1571 8.4653 8.4653 8.4719 8.4719 8.9784 8.9784 8.9856 8.9856 9.5727 9.5727 9.5761 9.5761 9.6926 9.6926 9.6941 9.6941 9.9405 9.9405 9.9598 9.9598 10.2734 10.2734 10.2899 10.2899 10.9198 10.9198 10.9586 10.9586 11.0567 11.0567 11.0903 11.0903 11.3726 11.3726 11.3918 11.3918 11.5903 11.5903 11.6100 11.6100 12.0017 12.0044 k = 0.4545 0.2624 0.7660 ( 14346 PWs) bands (ev): 0.0621 0.0621 0.0621 0.0621 0.1780 0.1780 0.1780 0.1780 0.3962 0.3962 0.3962 0.3962 1.9162 1.9162 1.9163 1.9163 4.9441 4.9441 4.9481 4.9481 5.7998 5.7998 5.8073 5.8073 5.9993 5.9993 6.0142 6.0142 6.5386 6.5386 6.5427 6.5427 6.6134 6.6134 6.6624 6.6624 7.0121 7.0121 7.0264 7.0264 7.3017 7.3017 7.3155 7.3155 7.7558 7.7558 7.7617 7.7617 8.1517 8.1517 8.1576 8.1576 8.4640 8.4640 8.4684 8.4684 8.9905 8.9905 8.9953 8.9953 9.5737 9.5737 9.5759 9.5759 9.7021 9.7021 9.7032 9.7032 9.9834 9.9834 10.0016 10.0016 10.2153 10.2153 10.2315 10.2315 10.9267 10.9267 10.9591 10.9591 11.0425 11.0425 11.0717 11.0717 11.3894 11.3894 11.4075 11.4075 11.5433 11.5433 11.5621 11.5621 12.0160 12.0235 k = 0.4773 0.2756 0.7660 ( 14358 PWs) bands (ev): 0.0872 0.0872 0.0872 0.0872 0.1535 0.1535 0.1535 0.1535 0.3953 0.3953 0.3953 0.3953 1.9132 1.9132 1.9133 1.9133 4.9456 4.9456 4.9476 4.9476 5.8245 5.8245 5.8273 5.8273 5.9975 5.9975 6.0071 6.0071 6.5377 6.5377 6.5391 6.5391 6.6191 6.6191 6.6416 6.6416 7.0150 7.0150 7.0223 7.0223 7.3009 7.3009 7.3078 7.3078 7.7549 7.7549 7.7579 7.7579 8.1544 8.1544 8.1573 8.1573 8.4636 8.4636 8.4658 8.4658 8.9983 8.9983 9.0007 9.0007 9.5745 9.5745 9.5756 9.5756 9.7082 9.7082 9.7088 9.7088 10.0269 10.0269 10.0419 10.0419 10.1647 10.1647 10.1786 10.1786 10.9373 10.9373 10.9571 10.9571 11.0343 11.0343 11.0526 11.0526 11.4167 11.4167 11.4336 11.4336 11.4999 11.4999 11.5172 11.5172 12.0268 12.0315 k = 0.5000 0.2887 0.7660 ( 14356 PWs) bands (ev): 0.1020 0.1020 0.1020 0.1020 0.1388 0.1388 0.1388 0.1388 0.3950 0.3950 0.3950 0.3950 1.9122 1.9122 1.9122 1.9122 4.9468 4.9468 4.9468 4.9468 5.8336 5.8336 5.8336 5.8336 6.0010 6.0010 6.0010 6.0010 6.5365 6.5365 6.5365 6.5365 6.6286 6.6286 6.6286 6.6286 7.0183 7.0183 7.0183 7.0183 7.3030 7.3030 7.3030 7.3030 7.7556 7.7556 7.7556 7.7556 8.1562 8.1562 8.1562 8.1562 8.4642 8.4642 8.4642 8.4642 9.0017 9.0017 9.0017 9.0017 9.5752 9.5752 9.5752 9.5752 9.7105 9.7105 9.7105 9.7105 10.0583 10.0583 10.0583 10.0583 10.1444 10.1444 10.1444 10.1444 10.9490 10.9490 10.9490 10.9490 11.0383 11.0383 11.0383 11.0383 11.4467 11.4467 11.4467 11.4467 11.4813 11.4813 11.4813 11.4813 12.0327 12.0327 k = 0.5000 0.2887 0.7660 ( 14356 PWs) bands (ev): 0.1020 0.1020 0.1020 0.1020 0.1388 0.1388 0.1388 0.1388 0.3950 0.3950 0.3950 0.3950 1.9122 1.9122 1.9122 1.9122 4.9468 4.9468 4.9468 4.9468 5.8336 5.8336 5.8336 5.8336 6.0010 6.0010 6.0010 6.0010 6.5365 6.5365 6.5365 6.5365 6.6286 6.6286 6.6286 6.6286 7.0183 7.0183 7.0183 7.0183 7.3030 7.3030 7.3030 7.3030 7.7556 7.7556 7.7556 7.7556 8.1562 8.1562 8.1562 8.1562 8.4642 8.4642 8.4642 8.4642 9.0017 9.0017 9.0017 9.0017 9.5752 9.5752 9.5752 9.5752 9.7105 9.7105 9.7105 9.7105 10.0583 10.0583 10.0583 10.0583 10.1444 10.1444 10.1444 10.1444 10.9490 10.9490 10.9490 10.9490 11.0383 11.0383 11.0383 11.0383 11.4467 11.4467 11.4467 11.4467 11.4813 11.4813 11.4813 11.4813 12.0327 12.0327 k = 0.4872 0.3109 0.7660 ( 14368 PWs) bands (ev): 0.1026 0.1026 0.1026 0.1026 0.1394 0.1394 0.1394 0.1394 0.3938 0.3938 0.3938 0.3938 1.9118 1.9118 1.9118 1.9118 4.9495 4.9495 4.9495 4.9495 5.8271 5.8271 5.8271 5.8271 6.0009 6.0009 6.0009 6.0009 6.5407 6.5407 6.5407 6.5407 6.6317 6.6317 6.6317 6.6317 7.0183 7.0183 7.0183 7.0183 7.3030 7.3030 7.3030 7.3030 7.7545 7.7545 7.7545 7.7545 8.1457 8.1457 8.1457 8.1457 8.4746 8.4746 8.4746 8.4746 9.0009 9.0009 9.0009 9.0009 9.5762 9.5762 9.5762 9.5762 9.7109 9.7109 9.7109 9.7109 10.0556 10.0556 10.0556 10.0556 10.1411 10.1411 10.1411 10.1411 10.9521 10.9521 10.9521 10.9521 11.0424 11.0424 11.0424 11.0424 11.4474 11.4474 11.4474 11.4474 11.4817 11.4817 11.4817 11.4817 12.0307 12.0307 k = 0.4744 0.3331 0.7660 ( 14350 PWs) bands (ev): 0.1043 0.1043 0.1043 0.1043 0.1411 0.1411 0.1411 0.1411 0.3903 0.3903 0.3903 0.3903 1.9107 1.9107 1.9107 1.9107 4.9578 4.9578 4.9578 4.9578 5.8085 5.8085 5.8085 5.8085 6.0007 6.0007 6.0007 6.0007 6.5524 6.5524 6.5524 6.5524 6.6413 6.6413 6.6413 6.6413 7.0184 7.0184 7.0184 7.0184 7.3030 7.3030 7.3030 7.3030 7.7509 7.7509 7.7509 7.7509 8.1180 8.1180 8.1180 8.1180 8.5023 8.5023 8.5023 8.5023 8.9986 8.9986 8.9986 8.9986 9.5793 9.5793 9.5793 9.5793 9.7119 9.7119 9.7119 9.7119 10.0474 10.0474 10.0474 10.0474 10.1313 10.1313 10.1313 10.1313 10.9609 10.9609 10.9609 10.9609 11.0546 11.0546 11.0546 11.0546 11.4495 11.4495 11.4495 11.4495 11.4827 11.4827 11.4827 11.4827 12.0251 12.0251 k = 0.4615 0.3553 0.7660 ( 14338 PWs) bands (ev): 0.1071 0.1071 0.1071 0.1071 0.1439 0.1439 0.1439 0.1439 0.3845 0.3845 0.3845 0.3845 1.9088 1.9088 1.9088 1.9088 4.9713 4.9713 4.9713 4.9713 5.7797 5.7797 5.7797 5.7797 6.0002 6.0002 6.0002 6.0002 6.5688 6.5688 6.5688 6.5688 6.6576 6.6576 6.6576 6.6576 7.0188 7.0188 7.0188 7.0188 7.3032 7.3032 7.3032 7.3032 7.7443 7.7443 7.7443 7.7443 8.0808 8.0808 8.0808 8.0808 8.5400 8.5400 8.5400 8.5400 8.9948 8.9948 8.9948 8.9948 9.5846 9.5846 9.5846 9.5846 9.7137 9.7137 9.7137 9.7137 10.0343 10.0343 10.0343 10.0343 10.1158 10.1158 10.1158 10.1158 10.9749 10.9749 10.9749 10.9749 11.0742 11.0742 11.0742 11.0742 11.4525 11.4525 11.4525 11.4525 11.4844 11.4844 11.4844 11.4844 12.0165 12.0165 k = 0.4487 0.3775 0.7660 ( 14326 PWs) bands (ev): 0.1110 0.1110 0.1110 0.1110 0.1477 0.1477 0.1477 0.1477 0.3764 0.3764 0.3764 0.3764 1.9063 1.9063 1.9063 1.9063 4.9900 4.9900 4.9900 4.9900 5.7431 5.7431 5.7431 5.7431 5.9996 5.9996 5.9996 5.9996 6.5872 6.5872 6.5872 6.5872 6.6801 6.6801 6.6801 6.6801 7.0201 7.0201 7.0201 7.0201 7.3037 7.3037 7.3037 7.3037 7.7339 7.7339 7.7339 7.7339 8.0401 8.0401 8.0401 8.0401 8.5826 8.5826 8.5826 8.5826 8.9894 8.9894 8.9894 8.9894 9.5922 9.5922 9.5922 9.5922 9.7163 9.7163 9.7163 9.7163 10.0173 10.0173 10.0173 10.0173 10.0955 10.0955 10.0955 10.0955 10.9927 10.9927 10.9927 10.9927 11.1002 11.1002 11.1002 11.1002 11.4558 11.4558 11.4558 11.4558 11.4868 11.4868 11.4868 11.4868 12.0057 12.0057 k = 0.4359 0.3997 0.7660 ( 14322 PWs) bands (ev): 0.1160 0.1160 0.1160 0.1160 0.1526 0.1526 0.1526 0.1526 0.3661 0.3661 0.3661 0.3661 1.9034 1.9034 1.9034 1.9034 5.0135 5.0135 5.0135 5.0135 5.7010 5.7010 5.7010 5.7010 5.9988 5.9988 5.9988 5.9988 6.6059 6.6059 6.6059 6.6059 6.7067 6.7067 6.7067 6.7067 7.0229 7.0229 7.0229 7.0229 7.3046 7.3046 7.3046 7.3046 7.7185 7.7185 7.7185 7.7185 8.0007 8.0007 8.0007 8.0007 8.6267 8.6267 8.6267 8.6267 8.9826 8.9826 8.9826 8.9826 9.6022 9.6022 9.6022 9.6022 9.7197 9.7197 9.7197 9.7197 9.9971 9.9971 9.9971 9.9971 10.0716 10.0716 10.0716 10.0716 11.0132 11.0132 11.0132 11.0132 11.1316 11.1316 11.1316 11.1316 11.4586 11.4586 11.4586 11.4586 11.4897 11.4897 11.4897 11.4897 11.9939 11.9939 k = 0.4231 0.4219 0.7660 ( 14332 PWs) bands (ev): 0.1220 0.1220 0.1220 0.1220 0.1585 0.1585 0.1585 0.1585 0.3538 0.3538 0.3538 0.3538 1.9001 1.9001 1.9001 1.9001 5.0415 5.0415 5.0415 5.0415 5.6553 5.6553 5.6553 5.6553 5.9981 5.9981 5.9981 5.9981 6.6247 6.6247 6.6247 6.6247 6.7341 6.7341 6.7341 6.7341 7.0283 7.0283 7.0283 7.0283 7.3064 7.3064 7.3064 7.3064 7.6966 7.6966 7.6966 7.6966 7.9657 7.9657 7.9657 7.9657 8.6704 8.6704 8.6704 8.6704 8.9743 8.9743 8.9743 8.9743 9.6147 9.6147 9.6147 9.6147 9.7239 9.7239 9.7239 9.7239 9.9747 9.9747 9.9747 9.9747 10.0451 10.0451 10.0451 10.0451 11.0351 11.0351 11.0351 11.0351 11.1670 11.1670 11.1670 11.1670 11.4601 11.4601 11.4601 11.4601 11.4930 11.4930 11.4930 11.4930 11.9821 11.9821 k = 0.4103 0.4441 0.7660 ( 14344 PWs) bands (ev): 0.1291 0.1291 0.1291 0.1291 0.1652 0.1652 0.1652 0.1652 0.3396 0.3396 0.3396 0.3396 1.8967 1.8967 1.8967 1.8967 5.0735 5.0735 5.0735 5.0735 5.6074 5.6074 5.6074 5.6074 5.9974 5.9974 5.9974 5.9974 6.6437 6.6437 6.6437 6.6437 6.7584 6.7584 6.7584 6.7584 7.0371 7.0371 7.0371 7.0371 7.3096 7.3096 7.3096 7.3096 7.6677 7.6677 7.6677 7.6677 7.9374 7.9374 7.9374 7.9374 8.7123 8.7123 8.7123 8.7123 8.9646 8.9646 8.9646 8.9646 9.6297 9.6297 9.6297 9.6297 9.7291 9.7291 9.7291 9.7291 9.9511 9.9511 9.9511 9.9511 10.0170 10.0170 10.0170 10.0170 11.0571 11.0571 11.0571 11.0571 11.2049 11.2049 11.2049 11.2049 11.4592 11.4592 11.4592 11.4592 11.4965 11.4965 11.4965 11.4965 11.9708 11.9709 k = 0.3974 0.4663 0.7660 ( 14340 PWs) bands (ev): 0.1371 0.1371 0.1371 0.1371 0.1726 0.1726 0.1726 0.1726 0.3237 0.3237 0.3237 0.3237 1.8933 1.8933 1.8933 1.8933 5.1090 5.1090 5.1090 5.1090 5.5586 5.5586 5.5586 5.5586 5.9970 5.9970 5.9970 5.9970 6.6629 6.6629 6.6629 6.6629 6.7768 6.7768 6.7768 6.7768 7.0496 7.0496 7.0496 7.0496 7.3152 7.3152 7.3152 7.3152 7.6323 7.6323 7.6323 7.6323 7.9163 7.9163 7.9163 7.9163 8.7516 8.7516 8.7516 8.7516 8.9537 8.9537 8.9537 8.9537 9.6474 9.6474 9.6474 9.6474 9.7352 9.7352 9.7352 9.7352 9.9271 9.9271 9.9271 9.9271 9.9883 9.9883 9.9883 9.9883 11.0782 11.0782 11.0782 11.0782 11.2440 11.2440 11.2440 11.2440 11.4549 11.4549 11.4549 11.4549 11.5001 11.5001 11.5001 11.5001 11.9598 11.9598 k = 0.3846 0.4885 0.7660 ( 14336 PWs) bands (ev): 0.1460 0.1460 0.1460 0.1460 0.1804 0.1804 0.1804 0.1804 0.3065 0.3065 0.3065 0.3065 1.8901 1.8901 1.8901 1.8901 5.1474 5.1474 5.1474 5.1474 5.5098 5.5098 5.5098 5.5098 5.9967 5.9967 5.9967 5.9967 6.6821 6.6821 6.6821 6.6821 6.7876 6.7876 6.7876 6.7876 7.0646 7.0646 7.0646 7.0646 7.3241 7.3241 7.3241 7.3241 7.5925 7.5925 7.5925 7.5925 7.9017 7.9017 7.9017 7.9017 8.7874 8.7874 8.7874 8.7874 8.9418 8.9418 8.9418 8.9418 9.6672 9.6672 9.6672 9.6672 9.7422 9.7422 9.7422 9.7422 9.9037 9.9037 9.9037 9.9037 9.9597 9.9597 9.9597 9.9597 11.0973 11.0973 11.0973 11.0973 11.2828 11.2828 11.2828 11.2828 11.4469 11.4469 11.4469 11.4469 11.5034 11.5034 11.5034 11.5034 11.9479 11.9481 k = 0.3718 0.5107 0.7660 ( 14354 PWs) bands (ev): 0.1559 0.1559 0.1559 0.1559 0.1882 0.1882 0.1882 0.1882 0.2886 0.2886 0.2886 0.2886 1.8873 1.8873 1.8873 1.8873 5.1879 5.1879 5.1879 5.1879 5.4617 5.4617 5.4617 5.4617 5.9967 5.9967 5.9967 5.9967 6.7010 6.7010 6.7010 6.7010 6.7910 6.7910 6.7910 6.7910 7.0798 7.0798 7.0798 7.0798 7.3376 7.3376 7.3376 7.3376 7.5509 7.5509 7.5509 7.5509 7.8921 7.8921 7.8921 7.8921 8.8193 8.8193 8.8193 8.8193 8.9289 8.9289 8.9289 8.9289 9.6884 9.6884 9.6884 9.6884 9.7501 9.7501 9.7501 9.7501 9.8821 9.8821 9.8821 9.8821 9.9320 9.9320 9.9320 9.9320 11.1134 11.1134 11.1134 11.1134 11.3195 11.3195 11.3195 11.3195 11.4360 11.4360 11.4360 11.4360 11.5055 11.5055 11.5055 11.5055 11.9352 11.9358 k = 0.3590 0.5329 0.7660 ( 14352 PWs) bands (ev): 0.1665 0.1665 0.1665 0.1665 0.1947 0.1947 0.1947 0.1947 0.2711 0.2711 0.2711 0.2711 1.8852 1.8852 1.8852 1.8852 5.2295 5.2295 5.2295 5.2295 5.4153 5.4153 5.4153 5.4153 5.9968 5.9968 5.9968 5.9968 6.7188 6.7188 6.7188 6.7188 6.7882 6.7882 6.7882 6.7882 7.0921 7.0921 7.0921 7.0921 7.3560 7.3560 7.3560 7.3560 7.5105 7.5105 7.5105 7.5105 7.8862 7.8862 7.8862 7.8862 8.8465 8.8465 8.8465 8.8465 8.9153 8.9153 8.9153 8.9153 9.7086 9.7086 9.7086 9.7086 9.7589 9.7589 9.7589 9.7589 9.8644 9.8644 9.8644 9.8644 9.9059 9.9059 9.9059 9.9059 11.1255 11.1255 11.1255 11.1255 11.3523 11.3523 11.3523 11.3523 11.4237 11.4237 11.4237 11.4237 11.5054 11.5054 11.5054 11.5054 11.9238 11.9247 k = 0.3462 0.5551 0.7660 ( 14364 PWs) bands (ev): 0.1778 0.1778 0.1778 0.1778 0.1971 0.1971 0.1971 0.1971 0.2572 0.2572 0.2572 0.2572 1.8838 1.8838 1.8838 1.8838 5.2699 5.2699 5.2699 5.2699 5.3724 5.3724 5.3724 5.3724 5.9970 5.9970 5.9970 5.9970 6.7340 6.7340 6.7340 6.7340 6.7816 6.7816 6.7816 6.7816 7.0998 7.0998 7.0998 7.0998 7.3769 7.3769 7.3769 7.3769 7.4760 7.4760 7.4760 7.4760 7.8832 7.8832 7.8832 7.8832 8.8689 8.8689 8.8689 8.8689 8.9012 8.9012 8.9012 8.9012 9.7234 9.7234 9.7234 9.7234 9.7677 9.7677 9.7677 9.7677 9.8554 9.8554 9.8554 9.8554 9.8824 9.8824 9.8824 9.8824 11.1329 11.1329 11.1329 11.1329 11.3775 11.3775 11.3775 11.3775 11.4133 11.4133 11.4133 11.4133 11.5026 11.5026 11.5026 11.5026 11.9147 11.9161 k = 0.3333 0.5774 0.7660 ( 14352 PWs) bands (ev): 0.1882 0.1882 0.1882 0.1882 0.1919 0.1919 0.1919 0.1919 0.2520 0.2520 0.2520 0.2520 1.8833 1.8833 1.8833 1.8833 5.2947 5.2947 5.2947 5.2947 5.3469 5.3469 5.3469 5.3469 5.9971 5.9971 5.9971 5.9971 6.7413 6.7413 6.7413 6.7413 6.7770 6.7770 6.7770 6.7770 7.1023 7.1023 7.1023 7.1023 7.3889 7.3889 7.3889 7.3889 7.4595 7.4595 7.4595 7.4595 7.8823 7.8823 7.8823 7.8823 8.8838 8.8838 8.8838 8.8838 8.8890 8.8890 8.8890 8.8890 9.7286 9.7286 9.7286 9.7286 9.7719 9.7719 9.7719 9.7719 9.8622 9.8622 9.8622 9.8622 9.8633 9.8633 9.8633 9.8633 11.1353 11.1353 11.1353 11.1353 11.3868 11.3868 11.3868 11.3868 11.4102 11.4102 11.4102 11.4102 11.5001 11.5001 11.5001 11.5001 11.9127 11.9128 k = 0.3333 0.5774 0.7660 ( 14352 PWs) bands (ev): 0.1882 0.1882 0.1882 0.1882 0.1919 0.1919 0.1919 0.1919 0.2520 0.2520 0.2520 0.2520 1.8833 1.8833 1.8833 1.8833 5.2947 5.2947 5.2947 5.2947 5.3469 5.3469 5.3469 5.3469 5.9971 5.9971 5.9971 5.9971 6.7413 6.7413 6.7413 6.7413 6.7770 6.7770 6.7770 6.7770 7.1023 7.1023 7.1023 7.1023 7.3889 7.3889 7.3889 7.3889 7.4595 7.4595 7.4595 7.4595 7.8823 7.8823 7.8823 7.8823 8.8838 8.8838 8.8838 8.8838 8.8890 8.8890 8.8890 8.8890 9.7286 9.7286 9.7286 9.7286 9.7719 9.7719 9.7719 9.7719 9.8622 9.8622 9.8622 9.8622 9.8633 9.8633 9.8633 9.8633 11.1353 11.1353 11.1353 11.1353 11.3868 11.3868 11.3868 11.3868 11.4102 11.4102 11.4102 11.4102 11.5001 11.5001 11.5001 11.5001 11.9127 11.9129 k = 0.3200 0.5543 0.7660 ( 14370 PWs) bands (ev): 0.1726 0.1726 0.1726 0.1726 0.2033 0.2033 0.2033 0.2033 0.2562 0.2562 0.2562 0.2562 1.8839 1.8839 1.8839 1.8839 5.2696 5.2696 5.2696 5.2696 5.3725 5.3725 5.3725 5.3725 5.9969 5.9969 5.9969 5.9969 6.7327 6.7327 6.7327 6.7327 6.7828 6.7828 6.7828 6.7828 7.1000 7.1000 7.1000 7.1000 7.3765 7.3765 7.3765 7.3765 7.4765 7.4765 7.4765 7.4765 7.8831 7.8831 7.8831 7.8831 8.8707 8.8707 8.8707 8.8707 8.8991 8.8991 8.8991 8.8991 9.7237 9.7237 9.7237 9.7237 9.7675 9.7675 9.7675 9.7675 9.8479 9.8479 9.8479 9.8479 9.8899 9.8899 9.8899 9.8899 11.1331 11.1331 11.1331 11.1331 11.3818 11.3818 11.3818 11.3818 11.4067 11.4067 11.4067 11.4067 11.5054 11.5054 11.5054 11.5054 11.9126 11.9130 k = 0.3067 0.5312 0.7660 ( 14354 PWs) bands (ev): 0.1498 0.1498 0.1498 0.1498 0.2170 0.2170 0.2170 0.2170 0.2656 0.2656 0.2656 0.2656 1.8857 1.8857 1.8857 1.8857 5.2312 5.2312 5.2312 5.2312 5.4114 5.4114 5.4114 5.4114 5.9966 5.9966 5.9966 5.9966 6.7133 6.7133 6.7133 6.7133 6.7940 6.7940 6.7940 6.7940 7.0940 7.0940 7.0940 7.0940 7.3562 7.3562 7.3562 7.3562 7.5105 7.5105 7.5105 7.5105 7.8855 7.8855 7.8855 7.8855 8.8553 8.8553 8.8553 8.8553 8.9059 8.9059 8.9059 8.9059 9.7117 9.7117 9.7117 9.7117 9.7566 9.7566 9.7566 9.7566 9.8392 9.8392 9.8392 9.8392 9.9302 9.9302 9.9302 9.9302 11.1273 11.1273 11.1273 11.1273 11.3662 11.3662 11.3662 11.3662 11.3993 11.3993 11.3993 11.3993 11.5208 11.5208 11.5208 11.5208 11.9181 11.9181 k = 0.2933 0.5081 0.7660 ( 14338 PWs) bands (ev): 0.1245 0.1245 0.1245 0.1245 0.2312 0.2312 0.2312 0.2312 0.2771 0.2771 0.2771 0.2771 1.8889 1.8889 1.8889 1.8889 5.1935 5.1935 5.1935 5.1935 5.4487 5.4487 5.4487 5.4487 5.9961 5.9961 5.9961 5.9961 6.6888 6.6888 6.6888 6.6888 6.8055 6.8055 6.8055 6.8055 7.0855 7.0855 7.0855 7.0855 7.3395 7.3395 7.3395 7.3395 7.5490 7.5490 7.5490 7.5490 7.8894 7.8894 7.8894 7.8894 8.8396 8.8396 8.8396 8.8396 8.9073 8.9073 8.9073 8.9073 9.6963 9.6963 9.6963 9.6963 9.7418 9.7418 9.7418 9.7418 9.8345 9.8345 9.8345 9.8345 9.9787 9.9787 9.9787 9.9787 11.1202 11.1202 11.1202 11.1202 11.3352 11.3352 11.3352 11.3352 11.4010 11.4010 11.4010 11.4010 11.5415 11.5415 11.5415 11.5415 11.9286 11.9286 k = 0.2800 0.4850 0.7660 ( 14342 PWs) bands (ev): 0.0980 0.0980 0.0980 0.0980 0.2458 0.2458 0.2458 0.2458 0.2896 0.2896 0.2896 0.2896 1.8936 1.8936 1.8936 1.8936 5.1579 5.1579 5.1579 5.1579 5.4810 5.4810 5.4810 5.4810 5.9962 5.9962 5.9962 5.9962 6.6608 6.6608 6.6608 6.6608 6.8167 6.8167 6.8167 6.8167 7.0755 7.0755 7.0755 7.0755 7.3290 7.3290 7.3290 7.3290 7.5883 7.5883 7.5883 7.5883 7.8944 7.8944 7.8944 7.8944 8.8239 8.8239 8.8239 8.8239 8.9036 8.9036 8.9036 8.9036 9.6798 9.6798 9.6798 9.6798 9.7252 9.7252 9.7252 9.7252 9.8309 9.8309 9.8309 9.8309 10.0331 10.0331 10.0331 10.0331 11.1137 11.1137 11.1137 11.1137 11.2963 11.2963 11.2963 11.2963 11.4101 11.4101 11.4101 11.4101 11.5642 11.5642 11.5642 11.5642 11.9428 11.9428 k = 0.2667 0.4619 0.7660 ( 14346 PWs) bands (ev): 0.0709 0.0709 0.0709 0.0709 0.2606 0.2606 0.2606 0.2606 0.3026 0.3026 0.3026 0.3026 1.8997 1.8997 1.8997 1.8997 5.1251 5.1251 5.1251 5.1251 5.5061 5.5061 5.5061 5.5061 5.9978 5.9978 5.9978 5.9978 6.6298 6.6298 6.6298 6.6298 6.8279 6.8279 6.8279 6.8279 7.0645 7.0645 7.0645 7.0645 7.3254 7.3254 7.3254 7.3254 7.6271 7.6271 7.6271 7.6271 7.9007 7.9007 7.9007 7.9007 8.8081 8.8081 8.8081 8.8081 8.8950 8.8950 8.8950 8.8950 9.6635 9.6635 9.6635 9.6635 9.7080 9.7080 9.7080 9.7080 9.8266 9.8266 9.8266 9.8266 10.0924 10.0924 10.0924 10.0924 11.1095 11.1095 11.1095 11.1095 11.2548 11.2548 11.2548 11.2548 11.4250 11.4250 11.4250 11.4250 11.5879 11.5879 11.5879 11.5879 11.9578 11.9578 k = 0.2533 0.4388 0.7660 ( 14342 PWs) bands (ev): 0.0436 0.0436 0.0436 0.0436 0.2757 0.2757 0.2757 0.2757 0.3158 0.3158 0.3158 0.3158 1.9073 1.9073 1.9073 1.9073 5.0952 5.0952 5.0952 5.0952 5.5218 5.5218 5.5218 5.5218 6.0024 6.0024 6.0024 6.0024 6.5962 6.5962 6.5962 6.5962 6.8397 6.8397 6.8397 6.8397 7.0530 7.0530 7.0530 7.0530 7.3283 7.3283 7.3283 7.3283 7.6647 7.6647 7.6647 7.6647 7.9082 7.9082 7.9082 7.9082 8.7921 8.7921 8.7921 8.7921 8.8821 8.8821 8.8821 8.8821 9.6479 9.6479 9.6479 9.6479 9.6910 9.6910 9.6910 9.6910 9.8203 9.8203 9.8203 9.8203 10.1556 10.1556 10.1556 10.1556 11.1081 11.1081 11.1081 11.1081 11.2137 11.2137 11.2137 11.2137 11.4451 11.4451 11.4451 11.4451 11.6120 11.6120 11.6120 11.6120 11.9617 11.9620 k = 0.2400 0.4157 0.7660 ( 14342 PWs) bands (ev): 0.0164 0.0164 0.0164 0.0164 0.2908 0.2908 0.2908 0.2908 0.3290 0.3290 0.3290 0.3290 1.9165 1.9165 1.9165 1.9165 5.0683 5.0683 5.0683 5.0683 5.5265 5.5265 5.5265 5.5265 6.0114 6.0114 6.0114 6.0114 6.5604 6.5604 6.5604 6.5604 6.8524 6.8524 6.8524 6.8524 7.0413 7.0413 7.0413 7.0413 7.3374 7.3374 7.3374 7.3374 7.7007 7.7007 7.7007 7.7007 7.9168 7.9168 7.9168 7.9168 8.7759 8.7759 8.7759 8.7759 8.8653 8.8653 8.8653 8.8653 9.6333 9.6333 9.6333 9.6333 9.6745 9.6745 9.6745 9.6745 9.8118 9.8118 9.8118 9.8118 10.2220 10.2220 10.2220 10.2220 11.1089 11.1089 11.1089 11.1089 11.1761 11.1761 11.1761 11.1761 11.4702 11.4702 11.4702 11.4702 11.6363 11.6363 11.6363 11.6363 11.9509 11.9509 k = 0.2267 0.3926 0.7660 ( 14338 PWs) bands (ev): -0.0105 -0.0105 -0.0105 -0.0105 0.3058 0.3058 0.3058 0.3058 0.3419 0.3419 0.3419 0.3419 1.9271 1.9271 1.9271 1.9271 5.0446 5.0446 5.0446 5.0446 5.5197 5.5197 5.5197 5.5197 6.0256 6.0256 6.0256 6.0256 6.5227 6.5227 6.5227 6.5227 6.8658 6.8658 6.8658 6.8658 7.0298 7.0298 7.0298 7.0298 7.3521 7.3521 7.3521 7.3521 7.7348 7.7348 7.7348 7.7348 7.9266 7.9266 7.9266 7.9266 8.7593 8.7593 8.7593 8.7593 8.8451 8.8451 8.8451 8.8451 9.6200 9.6200 9.6200 9.6200 9.6585 9.6585 9.6585 9.6585 9.8012 9.8012 9.8012 9.8012 10.2907 10.2907 10.2907 10.2907 11.1055 11.1055 11.1055 11.1055 11.1494 11.1494 11.1494 11.1494 11.5001 11.5001 11.5001 11.5001 11.6606 11.6606 11.6606 11.6606 11.9386 11.9386 k = 0.2133 0.3695 0.7660 ( 14338 PWs) bands (ev): -0.0368 -0.0368 -0.0368 -0.0368 0.3207 0.3207 0.3207 0.3207 0.3546 0.3546 0.3546 0.3546 1.9390 1.9390 1.9390 1.9390 5.0240 5.0240 5.0240 5.0240 5.5019 5.5019 5.5019 5.5019 6.0452 6.0452 6.0452 6.0452 6.4835 6.4835 6.4835 6.4835 6.8788 6.8788 6.8788 6.8788 7.0192 7.0192 7.0192 7.0192 7.3717 7.3717 7.3717 7.3717 7.7670 7.7670 7.7670 7.7670 7.9376 7.9376 7.9376 7.9376 8.7423 8.7423 8.7423 8.7423 8.8220 8.8220 8.8220 8.8220 9.6079 9.6079 9.6079 9.6079 9.6431 9.6431 9.6431 9.6431 9.7889 9.7889 9.7889 9.7889 10.3607 10.3607 10.3607 10.3607 11.0862 11.0862 11.0862 11.0862 11.1466 11.1466 11.1466 11.1466 11.5344 11.5344 11.5344 11.5344 11.6845 11.6845 11.6845 11.6845 11.9279 11.9279 k = 0.2000 0.3464 0.7660 ( 14338 PWs) bands (ev): -0.0624 -0.0624 -0.0624 -0.0624 0.3353 0.3353 0.3353 0.3353 0.3668 0.3668 0.3668 0.3668 1.9523 1.9523 1.9523 1.9523 5.0065 5.0065 5.0065 5.0065 5.4746 5.4746 5.4746 5.4746 6.0691 6.0691 6.0691 6.0691 6.4434 6.4434 6.4434 6.4434 6.8900 6.8900 6.8900 6.8900 7.0104 7.0104 7.0104 7.0104 7.3958 7.3958 7.3958 7.3958 7.7972 7.7972 7.7972 7.7972 7.9498 7.9498 7.9498 7.9498 8.7248 8.7248 8.7248 8.7248 8.7966 8.7966 8.7966 8.7966 9.5970 9.5970 9.5970 9.5970 9.6287 9.6287 9.6287 9.6287 9.7752 9.7752 9.7752 9.7752 10.4304 10.4304 10.4304 10.4304 11.0615 11.0615 11.0615 11.0615 11.1581 11.1581 11.1581 11.1581 11.5725 11.5725 11.5725 11.5725 11.7076 11.7076 11.7076 11.7076 11.9202 11.9202 k = 0.1867 0.3233 0.7660 ( 14306 PWs) bands (ev): -0.0871 -0.0871 -0.0871 -0.0871 0.3496 0.3496 0.3496 0.3496 0.3785 0.3785 0.3785 0.3785 1.9666 1.9666 1.9666 1.9666 4.9921 4.9921 4.9921 4.9921 5.4399 5.4399 5.4399 5.4399 6.0960 6.0960 6.0960 6.0960 6.4031 6.4031 6.4031 6.4031 6.8975 6.8975 6.8975 6.8975 7.0045 7.0045 7.0045 7.0045 7.4239 7.4239 7.4239 7.4239 7.8255 7.8255 7.8255 7.8255 7.9632 7.9632 7.9632 7.9632 8.7068 8.7068 8.7068 8.7068 8.7696 8.7696 8.7696 8.7696 9.5869 9.5869 9.5869 9.5869 9.6155 9.6155 9.6155 9.6155 9.7606 9.7606 9.7606 9.7606 10.4978 10.4978 10.4978 10.4978 11.0412 11.0412 11.0412 11.0412 11.1754 11.1754 11.1754 11.1754 11.6137 11.6137 11.6137 11.6137 11.7294 11.7294 11.7294 11.7294 11.9164 11.9164 k = 0.1733 0.3002 0.7660 ( 14306 PWs) bands (ev): -0.1107 -0.1107 -0.1107 -0.1107 0.3634 0.3634 0.3634 0.3634 0.3896 0.3896 0.3896 0.3896 1.9820 1.9820 1.9820 1.9820 4.9807 4.9807 4.9807 4.9807 5.4000 5.4000 5.4000 5.4000 6.1238 6.1238 6.1238 6.1238 6.3642 6.3642 6.3642 6.3642 6.8999 6.8999 6.8999 6.8999 7.0019 7.0019 7.0019 7.0019 7.4556 7.4556 7.4556 7.4556 7.8519 7.8519 7.8519 7.8519 7.9776 7.9776 7.9776 7.9776 8.6880 8.6880 8.6880 8.6880 8.7414 8.7414 8.7414 8.7414 9.5771 9.5771 9.5771 9.5771 9.6041 9.6041 9.6041 9.6041 9.7455 9.7455 9.7455 9.7455 10.5599 10.5599 10.5599 10.5599 11.0296 11.0296 11.0296 11.0296 11.1961 11.1961 11.1961 11.1961 11.6567 11.6567 11.6567 11.6567 11.7494 11.7494 11.7494 11.7494 11.9173 11.9173 k = 0.1600 0.2771 0.7660 ( 14322 PWs) bands (ev): -0.1331 -0.1331 -0.1331 -0.1331 0.3766 0.3766 0.3766 0.3766 0.4001 0.4001 0.4001 0.4001 1.9980 1.9980 1.9980 1.9980 4.9721 4.9721 4.9721 4.9721 5.3567 5.3567 5.3567 5.3567 6.1493 6.1493 6.1493 6.1493 6.3295 6.3295 6.3295 6.3295 6.8974 6.8974 6.8974 6.8974 7.0016 7.0016 7.0016 7.0016 7.4904 7.4904 7.4904 7.4904 7.8765 7.8765 7.8765 7.8765 7.9930 7.9930 7.9930 7.9930 8.6685 8.6685 8.6685 8.6685 8.7131 8.7131 8.7131 8.7131 9.5673 9.5673 9.5673 9.5673 9.5950 9.5950 9.5950 9.5950 9.7301 9.7301 9.7301 9.7301 10.6128 10.6128 10.6128 10.6128 11.0304 11.0304 11.0304 11.0304 11.2194 11.2194 11.2194 11.2194 11.7001 11.7001 11.7001 11.7001 11.7674 11.7674 11.7674 11.7674 11.9234 11.9234 k = 0.1467 0.2540 0.7660 ( 14334 PWs) bands (ev): -0.1542 -0.1542 -0.1542 -0.1542 0.3891 0.3891 0.3891 0.3891 0.4098 0.4098 0.4098 0.4098 2.0145 2.0145 2.0145 2.0145 4.9662 4.9662 4.9662 4.9662 5.3118 5.3118 5.3118 5.3118 6.1654 6.1654 6.1654 6.1654 6.3059 6.3059 6.3059 6.3059 6.8913 6.8913 6.8913 6.8913 7.0018 7.0018 7.0018 7.0018 7.5274 7.5274 7.5274 7.5274 7.8995 7.8995 7.8995 7.8995 8.0092 8.0092 8.0092 8.0092 8.6480 8.6480 8.6480 8.6480 8.6856 8.6856 8.6856 8.6856 9.5573 9.5573 9.5573 9.5573 9.5884 9.5884 9.5884 9.5884 9.7147 9.7147 9.7147 9.7147 10.6525 10.6525 10.6525 10.6525 11.0467 11.0467 11.0467 11.0467 11.2449 11.2449 11.2449 11.2449 11.7421 11.7421 11.7421 11.7421 11.7840 11.7840 11.7840 11.7840 11.9346 11.9346 k = 0.1333 0.2309 0.7660 ( 14338 PWs) bands (ev): -0.1738 -0.1738 -0.1738 -0.1738 0.4009 0.4009 0.4009 0.4009 0.4187 0.4187 0.4187 0.4187 2.0312 2.0312 2.0312 2.0312 4.9627 4.9627 4.9627 4.9627 5.2666 5.2666 5.2666 5.2666 6.1616 6.1616 6.1616 6.1616 6.3039 6.3039 6.3039 6.3039 6.8831 6.8831 6.8831 6.8831 7.0007 7.0007 7.0007 7.0007 7.5661 7.5661 7.5661 7.5661 7.9208 7.9208 7.9208 7.9208 8.0255 8.0255 8.0255 8.0255 8.6262 8.6262 8.6262 8.6262 8.6599 8.6599 8.6599 8.6599 9.5474 9.5474 9.5474 9.5474 9.5839 9.5839 9.5839 9.5839 9.6994 9.6994 9.6994 9.6994 10.6775 10.6775 10.6775 10.6775 11.0792 11.0792 11.0792 11.0792 11.2719 11.2719 11.2719 11.2719 11.7792 11.7792 11.7792 11.7792 11.8013 11.8013 11.8013 11.8013 11.9502 11.9502 k = 0.1200 0.2078 0.7660 ( 14342 PWs) bands (ev): -0.1918 -0.1918 -0.1918 -0.1918 0.4118 0.4118 0.4118 0.4118 0.4269 0.4269 0.4269 0.4269 2.0478 2.0478 2.0478 2.0478 4.9613 4.9613 4.9613 4.9613 5.2224 5.2224 5.2224 5.2224 6.1387 6.1387 6.1387 6.1387 6.3228 6.3228 6.3228 6.3228 6.8740 6.8740 6.8740 6.8740 6.9970 6.9970 6.9970 6.9970 7.6054 7.6054 7.6054 7.6054 7.9407 7.9407 7.9407 7.9407 8.0416 8.0416 8.0416 8.0416 8.6035 8.6035 8.6035 8.6035 8.6369 8.6369 8.6369 8.6369 9.5382 9.5382 9.5382 9.5382 9.5810 9.5810 9.5810 9.5810 9.6843 9.6843 9.6843 9.6843 10.6897 10.6897 10.6897 10.6897 11.1247 11.1247 11.1247 11.1247 11.3002 11.3002 11.3002 11.3002 11.8050 11.8050 11.8050 11.8050 11.8248 11.8248 11.8248 11.8248 11.9689 11.9689 k = 0.1067 0.1848 0.7660 ( 14338 PWs) bands (ev): -0.2082 -0.2082 -0.2082 -0.2082 0.4218 0.4218 0.4218 0.4218 0.4342 0.4342 0.4342 0.4342 2.0640 2.0640 2.0640 2.0640 4.9616 4.9616 4.9616 4.9616 5.1803 5.1803 5.1803 5.1803 6.1073 6.1073 6.1073 6.1073 6.3521 6.3521 6.3521 6.3521 6.8648 6.8648 6.8648 6.8648 6.9903 6.9903 6.9903 6.9903 7.6446 7.6446 7.6446 7.6446 7.9589 7.9589 7.9589 7.9589 8.0566 8.0566 8.0566 8.0566 8.5809 8.5809 8.5809 8.5809 8.6165 8.6165 8.6165 8.6165 9.5300 9.5300 9.5300 9.5300 9.5794 9.5794 9.5794 9.5794 9.6694 9.6694 9.6694 9.6694 10.6931 10.6931 10.6931 10.6931 11.1776 11.1776 11.1776 11.1776 11.3292 11.3292 11.3292 11.3292 11.8230 11.8230 11.8230 11.8230 11.8496 11.8496 11.8496 11.8496 11.9891 11.9891 k = 0.0933 0.1617 0.7660 ( 14332 PWs) bands (ev): -0.2228 -0.2228 -0.2228 -0.2228 0.4307 0.4307 0.4307 0.4307 0.4407 0.4407 0.4407 0.4407 2.0794 2.0794 2.0794 2.0794 4.9633 4.9633 4.9633 4.9633 5.1413 5.1413 5.1413 5.1413 6.0741 6.0741 6.0741 6.0741 6.3853 6.3853 6.3853 6.3853 6.8558 6.8558 6.8558 6.8558 6.9807 6.9807 6.9807 6.9807 7.6829 7.6829 7.6829 7.6829 7.9756 7.9756 7.9756 7.9756 8.0697 8.0697 8.0697 8.0697 8.5596 8.5596 8.5596 8.5596 8.5985 8.5985 8.5985 8.5985 9.5229 9.5229 9.5229 9.5229 9.5787 9.5787 9.5787 9.5787 9.6549 9.6549 9.6549 9.6549 10.6914 10.6914 10.6914 10.6914 11.2326 11.2326 11.2326 11.2326 11.3583 11.3583 11.3583 11.3583 11.8397 11.8397 11.8397 11.8397 11.8674 11.8674 11.8674 11.8674 12.0054 12.0056 k = 0.0800 0.1386 0.7660 ( 14338 PWs) bands (ev): -0.2357 -0.2357 -0.2357 -0.2357 0.4386 0.4386 0.4386 0.4386 0.4464 0.4464 0.4464 0.4464 2.0936 2.0936 2.0936 2.0936 4.9655 4.9655 4.9655 4.9655 5.1065 5.1065 5.1065 5.1065 6.0420 6.0420 6.0420 6.0420 6.4196 6.4196 6.4196 6.4196 6.8473 6.8473 6.8473 6.8473 6.9685 6.9685 6.9685 6.9685 7.7194 7.7194 7.7194 7.7194 7.9905 7.9905 7.9905 7.9905 8.0800 8.0800 8.0800 8.0800 8.5411 8.5411 8.5411 8.5411 8.5827 8.5827 8.5827 8.5827 9.5171 9.5171 9.5171 9.5171 9.5786 9.5786 9.5786 9.5786 9.6409 9.6409 9.6409 9.6409 10.6872 10.6872 10.6872 10.6872 11.2851 11.2851 11.2851 11.2851 11.3869 11.3869 11.3869 11.3869 11.8511 11.8511 11.8511 11.8511 11.8809 11.8809 11.8809 11.8809 12.0020 12.0022 k = 0.0667 0.1155 0.7660 ( 14342 PWs) bands (ev): -0.2466 -0.2466 -0.2466 -0.2466 0.4453 0.4453 0.4453 0.4453 0.4512 0.4512 0.4512 0.4512 2.1064 2.1064 2.1064 2.1064 4.9677 4.9677 4.9677 4.9677 5.0768 5.0768 5.0768 5.0768 6.0126 6.0126 6.0126 6.0126 6.4532 6.4532 6.4532 6.4532 6.8394 6.8394 6.8394 6.8394 6.9545 6.9545 6.9545 6.9545 7.7535 7.7535 7.7535 7.7535 8.0033 8.0033 8.0033 8.0033 8.0869 8.0869 8.0869 8.0869 8.5259 8.5259 8.5259 8.5259 8.5692 8.5692 8.5692 8.5692 9.5126 9.5126 9.5126 9.5126 9.5789 9.5789 9.5789 9.5789 9.6278 9.6278 9.6278 9.6278 10.6821 10.6821 10.6821 10.6821 11.3320 11.3320 11.3320 11.3320 11.4143 11.4143 11.4143 11.4143 11.8487 11.8487 11.8487 11.8487 11.8993 11.8993 11.8993 11.8993 11.9963 11.9963 k = 0.0533 0.0924 0.7660 ( 14334 PWs) bands (ev): -0.2557 -0.2557 -0.2557 -0.2557 0.4509 0.4509 0.4509 0.4509 0.4552 0.4552 0.4552 0.4552 2.1173 2.1173 2.1173 2.1173 4.9689 4.9689 4.9689 4.9689 5.0531 5.0531 5.0531 5.0531 5.9871 5.9871 5.9871 5.9871 6.4847 6.4847 6.4847 6.4847 6.8322 6.8322 6.8322 6.8322 6.9397 6.9397 6.9397 6.9397 7.7842 7.7842 7.7842 7.7842 8.0138 8.0138 8.0138 8.0138 8.0903 8.0903 8.0903 8.0903 8.5142 8.5142 8.5142 8.5142 8.5583 8.5583 8.5583 8.5583 9.5093 9.5093 9.5093 9.5093 9.5796 9.5796 9.5796 9.5796 9.6159 9.6159 9.6159 9.6159 10.6772 10.6772 10.6772 10.6772 11.3711 11.3711 11.3711 11.3711 11.4392 11.4392 11.4392 11.4392 11.8362 11.8362 11.8362 11.8362 11.9212 11.9212 11.9212 11.9213 11.9951 11.9951 k = 0.0400 0.0693 0.7660 ( 14334 PWs) bands (ev): -0.2628 -0.2628 -0.2628 -0.2628 0.4551 0.4551 0.4551 0.4551 0.4584 0.4584 0.4584 0.4584 2.1262 2.1262 2.1262 2.1262 4.9682 4.9682 4.9682 4.9682 5.0364 5.0364 5.0364 5.0364 5.9664 5.9664 5.9664 5.9664 6.5126 6.5126 6.5126 6.5126 6.8258 6.8258 6.8258 6.8258 6.9256 6.9256 6.9256 6.9256 7.8107 7.8107 7.8107 7.8107 8.0215 8.0215 8.0215 8.0215 8.0909 8.0909 8.0909 8.0909 8.5059 8.5059 8.5059 8.5059 8.5500 8.5500 8.5500 8.5500 9.5071 9.5071 9.5071 9.5071 9.5804 9.5804 9.5804 9.5804 9.6056 9.6056 9.6056 9.6056 10.6729 10.6729 10.6729 10.6729 11.4015 11.4015 11.4015 11.4015 11.4603 11.4603 11.4603 11.4603 11.8213 11.8213 11.8213 11.8213 11.9407 11.9407 11.9407 11.9407 11.9982 11.9982 k = 0.0267 0.0462 0.7660 ( 14340 PWs) bands (ev): -0.2678 -0.2678 -0.2678 -0.2678 0.4580 0.4580 0.4580 0.4580 0.4608 0.4608 0.4608 0.4608 2.1327 2.1327 2.1327 2.1327 4.9659 4.9659 4.9659 4.9659 5.0265 5.0265 5.0265 5.0265 5.9510 5.9510 5.9510 5.9510 6.5350 6.5350 6.5350 6.5350 6.8204 6.8204 6.8204 6.8204 6.9138 6.9138 6.9138 6.9138 7.8316 7.8316 7.8316 7.8316 8.0264 8.0264 8.0264 8.0264 8.0898 8.0898 8.0898 8.0898 8.5003 8.5003 8.5003 8.5003 8.5445 8.5445 8.5445 8.5445 9.5058 9.5058 9.5058 9.5058 9.5814 9.5814 9.5814 9.5814 9.5974 9.5974 9.5974 9.5974 10.6696 10.6696 10.6696 10.6696 11.4232 11.4232 11.4232 11.4232 11.4761 11.4761 11.4761 11.4761 11.8082 11.8082 11.8082 11.8082 11.9535 11.9535 11.9535 11.9535 12.0044 12.0044 k = 0.0133 0.0231 0.7660 ( 14336 PWs) bands (ev): -0.2709 -0.2709 -0.2709 -0.2709 0.4597 0.4597 0.4597 0.4597 0.4624 0.4624 0.4624 0.4624 2.1367 2.1367 2.1367 2.1367 4.9632 4.9632 4.9632 4.9632 5.0218 5.0218 5.0218 5.0218 5.9416 5.9416 5.9416 5.9416 6.5498 6.5498 6.5498 6.5498 6.8166 6.8166 6.8166 6.8166 6.9060 6.9060 6.9060 6.9060 7.8451 7.8451 7.8451 7.8451 8.0288 8.0288 8.0288 8.0288 8.0886 8.0886 8.0886 8.0886 8.4971 8.4971 8.4971 8.4971 8.5414 8.5414 8.5414 8.5414 9.5051 9.5051 9.5051 9.5051 9.5827 9.5827 9.5827 9.5827 9.5915 9.5915 9.5915 9.5915 10.6676 10.6676 10.6676 10.6676 11.4363 11.4363 11.4363 11.4363 11.4859 11.4859 11.4859 11.4859 11.7995 11.7995 11.7995 11.7995 11.9598 11.9598 11.9598 11.9598 12.0104 12.0104 k = 0.0000 0.0000 0.7660 ( 14304 PWs) bands (ev): -0.2719 -0.2719 -0.2719 -0.2719 0.4603 0.4603 0.4603 0.4603 0.4629 0.4629 0.4629 0.4629 2.1380 2.1380 2.1380 2.1380 4.9621 4.9621 4.9621 4.9621 5.0205 5.0205 5.0205 5.0205 5.9384 5.9384 5.9384 5.9384 6.5550 6.5550 6.5550 6.5550 6.8152 6.8152 6.8152 6.8152 6.9032 6.9032 6.9032 6.9032 7.8499 7.8499 7.8499 7.8499 8.0295 8.0295 8.0295 8.0295 8.0881 8.0881 8.0881 8.0881 8.4960 8.4960 8.4960 8.4960 8.5404 8.5404 8.5404 8.5404 9.5049 9.5049 9.5049 9.5049 9.5836 9.5836 9.5836 9.5836 9.5891 9.5891 9.5891 9.5891 10.6669 10.6669 10.6669 10.6669 11.4406 11.4406 11.4406 11.4406 11.4891 11.4891 11.4891 11.4891 11.7964 11.7964 11.7964 11.7964 11.9615 11.9615 11.9615 11.9616 12.0129 12.0129 k = 0.5000 0.2887 0.7660 ( 14356 PWs) bands (ev): 0.1020 0.1020 0.1020 0.1020 0.1388 0.1388 0.1388 0.1388 0.3950 0.3950 0.3950 0.3950 1.9122 1.9122 1.9122 1.9122 4.9468 4.9468 4.9468 4.9468 5.8336 5.8336 5.8336 5.8336 6.0010 6.0010 6.0010 6.0010 6.5365 6.5365 6.5365 6.5365 6.6286 6.6286 6.6286 6.6286 7.0183 7.0183 7.0183 7.0183 7.3030 7.3030 7.3030 7.3030 7.7556 7.7556 7.7556 7.7556 8.1562 8.1562 8.1562 8.1562 8.4642 8.4642 8.4642 8.4642 9.0017 9.0017 9.0017 9.0017 9.5752 9.5752 9.5752 9.5752 9.7105 9.7105 9.7105 9.7105 10.0583 10.0583 10.0583 10.0583 10.1444 10.1444 10.1444 10.1444 10.9490 10.9490 10.9490 10.9490 11.0383 11.0383 11.0383 11.0383 11.4467 11.4467 11.4467 11.4467 11.4813 11.4813 11.4813 11.4813 12.0327 12.0327 k = 0.5000 0.2887 0.7395 ( 14360 PWs) bands (ev): 0.0425 0.0425 0.0919 0.0919 0.1623 0.1623 0.1813 0.1813 0.3713 0.3713 0.4222 0.4222 1.8587 1.8587 1.9688 1.9688 4.9197 4.9197 4.9741 4.9741 5.7908 5.7908 5.8752 5.8752 5.9691 5.9691 6.0343 6.0343 6.5135 6.5135 6.5432 6.5432 6.6265 6.6265 6.6484 6.6484 7.0153 7.0153 7.0223 7.0223 7.2829 7.2829 7.3268 7.3268 7.7046 7.7046 7.8022 7.8022 8.1095 8.1095 8.2010 8.2010 8.4260 8.4260 8.5027 8.5027 8.9901 8.9901 9.0077 9.0077 9.5551 9.5551 9.5934 9.5934 9.5971 9.5971 9.8258 9.8258 10.0233 10.0233 10.0536 10.0536 10.1140 10.1140 10.2201 10.2201 10.8828 10.8828 10.9364 10.9364 11.0252 11.0252 11.1232 11.1232 11.3963 11.3963 11.4268 11.4268 11.4934 11.4934 11.5263 11.5263 12.0127 12.0127 k = 0.5000 0.2887 0.7131 ( 14358 PWs) bands (ev): -0.0162 -0.0162 0.0431 0.0431 0.2122 0.2122 0.2233 0.2233 0.3580 0.3580 0.4500 0.4500 1.8086 1.8086 2.0284 2.0284 4.8934 4.8934 5.0009 5.0009 5.7475 5.7475 5.9146 5.9146 5.9394 5.9394 6.0684 6.0684 6.4832 6.4832 6.5332 6.5332 6.6431 6.6431 6.6763 6.6763 7.0135 7.0135 7.0269 7.0269 7.2673 7.2673 7.3540 7.3540 7.6500 7.6500 7.8439 7.8439 8.0620 8.0620 8.2421 8.2421 8.3890 8.3890 8.5406 8.5406 8.9743 8.9743 9.0064 9.0064 9.4837 9.4837 9.5380 9.5380 9.6098 9.6098 9.9337 9.9337 9.9864 9.9864 9.9977 9.9977 10.1491 10.1491 10.3008 10.3008 10.8104 10.8104 10.8516 10.8516 11.0738 11.0738 11.1997 11.1997 11.3424 11.3424 11.3832 11.3832 11.5219 11.5219 11.5685 11.5685 11.9651 11.9651 k = 0.5000 0.2887 0.6867 ( 14374 PWs) bands (ev): -0.0738 -0.0738 -0.0062 -0.0062 0.2210 0.2210 0.2845 0.2845 0.3662 0.3662 0.4772 0.4772 1.7620 1.7620 2.0908 2.0908 4.8685 4.8685 5.0266 5.0266 5.7042 5.7042 5.9106 5.9106 5.9528 5.9528 6.1027 6.1027 6.4497 6.4497 6.5177 6.5177 6.6677 6.6677 6.7080 6.7080 7.0130 7.0130 7.0317 7.0317 7.2569 7.2569 7.3836 7.3836 7.5930 7.5930 7.8800 7.8800 8.0147 8.0147 8.2747 8.2747 8.3566 8.3566 8.5766 8.5766 8.9556 8.9556 8.9961 8.9961 9.3766 9.3766 9.5231 9.5231 9.6212 9.6212 9.9144 9.9144 9.9563 9.9563 10.0616 10.0616 10.1920 10.1920 10.3827 10.3827 10.7357 10.7357 10.7664 10.7664 11.0965 11.0965 11.2227 11.2227 11.3036 11.3036 11.3900 11.3900 11.5382 11.5382 11.6066 11.6066 11.8958 11.8958 k = 0.5000 0.2887 0.6603 ( 14368 PWs) bands (ev): -0.1302 -0.1302 -0.0556 -0.0556 0.2072 0.2072 0.3459 0.3459 0.3961 0.3961 0.5030 0.5030 1.7193 1.7193 2.1558 2.1558 4.8457 4.8457 5.0507 5.0507 5.6616 5.6616 5.8850 5.8850 5.9869 5.9869 6.1362 6.1362 6.4143 6.4143 6.5031 6.5031 6.6943 6.6943 6.7420 6.7420 7.0139 7.0139 7.0360 7.0360 7.2525 7.2525 7.4142 7.4142 7.5357 7.5357 7.9096 7.9096 7.9693 7.9693 8.2788 8.2788 8.3469 8.3469 8.6093 8.6093 8.9345 8.9345 8.9758 8.9758 9.2751 9.2751 9.5139 9.5139 9.6275 9.6275 9.8613 9.8613 9.9190 9.9190 10.1695 10.1695 10.2387 10.2387 10.4641 10.4641 10.6602 10.6602 10.6839 10.6839 11.0694 11.0694 11.1770 11.1770 11.3046 11.3046 11.4636 11.4636 11.5444 11.5444 11.6409 11.6409 11.8282 11.8282 k = 0.5000 0.2887 0.6339 ( 14356 PWs) bands (ev): -0.1853 -0.1853 -0.1045 -0.1045 0.1822 0.1822 0.4074 0.4074 0.4365 0.4365 0.5267 0.5267 1.6806 1.6806 2.2232 2.2232 4.8254 4.8254 5.0727 5.0727 5.6201 5.6201 5.8616 5.8616 6.0175 6.0175 6.1675 6.1675 6.3781 6.3781 6.4912 6.4912 6.7211 6.7211 6.7773 6.7773 7.0161 7.0161 7.0393 7.0393 7.2550 7.2550 7.4371 7.4371 7.4878 7.4878 7.9141 7.9141 7.9449 7.9449 8.2466 8.2466 8.3654 8.3654 8.6366 8.6366 8.9108 8.9108 8.9462 8.9462 9.1812 9.1812 9.5107 9.5107 9.6282 9.6282 9.8172 9.8172 9.8820 9.8820 10.2655 10.2655 10.2922 10.2922 10.5407 10.5407 10.5877 10.5877 10.6047 10.6047 11.0100 11.0100 11.1067 11.1067 11.3368 11.3368 11.5383 11.5383 11.5625 11.5625 11.6719 11.6719 11.7637 11.7637 k = 0.5000 0.2887 0.6075 ( 14348 PWs) bands (ev): -0.2390 -0.2390 -0.1527 -0.1527 0.1527 0.1527 0.4687 0.4687 0.4804 0.4804 0.5479 0.5479 1.6462 1.6462 2.2930 2.2930 4.8081 4.8081 5.0922 5.0922 5.5802 5.5802 5.8404 5.8404 6.0442 6.0442 6.1950 6.1950 6.3421 6.3421 6.4827 6.4827 6.7474 6.7474 6.8135 6.8135 7.0195 7.0195 7.0412 7.0412 7.2650 7.2650 7.4061 7.4061 7.4966 7.4966 7.8754 7.8754 7.9601 7.9601 8.2018 8.2018 8.3862 8.3862 8.6568 8.6568 8.8816 8.8816 8.9114 8.9114 9.0963 9.0963 9.5131 9.5131 9.6235 9.6235 9.7855 9.7855 9.8451 9.8451 10.3273 10.3273 10.3644 10.3644 10.5086 10.5086 10.5287 10.5287 10.6228 10.6228 10.9482 10.9482 11.0301 11.0301 11.3766 11.3766 11.5372 11.5372 11.6571 11.6571 11.6952 11.6952 11.7082 11.7082 k = 0.5000 0.2887 0.5811 ( 14336 PWs) bands (ev): -0.2912 -0.2912 -0.2001 -0.2001 0.1215 0.1215 0.5249 0.5249 0.5299 0.5299 0.5663 0.5663 1.6162 1.6162 2.3650 2.3650 4.7943 4.7943 5.1089 5.1089 5.5423 5.5423 5.8213 5.8213 6.0667 6.0667 6.2150 6.2150 6.3087 6.3087 6.4778 6.4778 6.7731 6.7731 6.8502 6.8502 7.0234 7.0234 7.0415 7.0415 7.2824 7.2824 7.3550 7.3550 7.5301 7.5301 7.8353 7.8353 7.9732 7.9732 8.1498 8.1498 8.4019 8.4019 8.6688 8.6688 8.8396 8.8396 8.8808 8.8808 9.0220 9.0220 9.5193 9.5193 9.6136 9.6136 9.7678 9.7678 9.8088 9.8088 10.3694 10.3694 10.4173 10.4173 10.4468 10.4468 10.4559 10.4559 10.6926 10.6926 10.9053 10.9053 10.9562 10.9562 11.4150 11.4150 11.5330 11.5330 11.6397 11.6397 11.7269 11.7269 11.7608 11.7608 k = 0.5000 0.2887 0.5547 ( 14332 PWs) bands (ev): -0.3417 -0.3417 -0.2462 -0.2462 0.0899 0.0899 0.5692 0.5692 0.5811 0.5811 0.5906 0.5906 1.5908 1.5908 2.4391 2.4391 4.7843 4.7843 5.1229 5.1229 5.5067 5.5067 5.8044 5.8044 6.0849 6.0849 6.2193 6.2193 6.2846 6.2846 6.4764 6.4764 6.7978 6.7978 6.8868 6.8868 7.0270 7.0270 7.0411 7.0411 7.2982 7.2982 7.3162 7.3162 7.5662 7.5662 7.7980 7.7980 7.9803 7.9803 8.0910 8.0910 8.4110 8.4110 8.6725 8.6725 8.7855 8.7855 8.8555 8.8555 8.9586 8.9586 9.5273 9.5273 9.5989 9.5989 9.7609 9.7609 9.7777 9.7777 10.3501 10.3501 10.3859 10.3859 10.4230 10.4230 10.4449 10.4449 10.7549 10.7549 10.8756 10.8756 10.9176 10.9176 11.4488 11.4488 11.5299 11.5299 11.5836 11.5836 11.7509 11.7509 11.8602 11.8602 k = 0.5000 0.2887 0.5282 ( 14320 PWs) bands (ev): -0.3905 -0.3905 -0.2912 -0.2912 0.0583 0.0583 0.5928 0.5928 0.6128 0.6128 0.6498 0.6498 1.5701 1.5701 2.5151 2.5151 4.7785 4.7785 5.1341 5.1341 5.4737 5.4737 5.7896 5.7896 6.0989 6.0989 6.2000 6.2000 6.2758 6.2758 6.4784 6.4784 6.8213 6.8213 6.9227 6.9227 7.0277 7.0277 7.0421 7.0421 7.2641 7.2641 7.3420 7.3420 7.6025 7.6025 7.7643 7.7643 7.9790 7.9790 8.0270 8.0270 8.4136 8.4136 8.6688 8.6688 8.7247 8.7247 8.8322 8.8322 8.9059 8.9059 9.5339 9.5339 9.5801 9.5801 9.7365 9.7365 9.7808 9.7808 10.2891 10.2891 10.3200 10.3200 10.3911 10.3911 10.4647 10.4647 10.7956 10.7956 10.8470 10.8470 10.9497 10.9497 11.4759 11.4759 11.5131 11.5131 11.5492 11.5492 11.7725 11.7725 11.9356 11.9357 k = 0.5000 0.2887 0.5018 ( 14332 PWs) bands (ev): -0.4374 -0.4374 -0.3346 -0.3346 0.0272 0.0272 0.6012 0.6012 0.6545 0.6545 0.7082 0.7082 1.5539 1.5539 2.5931 2.5931 4.7771 4.7771 5.1428 5.1428 5.4436 5.4436 5.7769 5.7769 6.1089 6.1089 6.1679 6.1679 6.2696 6.2696 6.4835 6.4835 6.8434 6.8434 6.9567 6.9567 7.0238 7.0238 7.0459 7.0459 7.2355 7.2355 7.3793 7.3793 7.6377 7.6377 7.7350 7.7350 7.9444 7.9444 7.9833 7.9833 8.4106 8.4106 8.6564 8.6564 8.6634 8.6634 8.8101 8.8101 8.8626 8.8626 9.5350 9.5350 9.5581 9.5581 9.7087 9.7087 9.8041 9.8041 10.2275 10.2275 10.2587 10.2587 10.3259 10.3259 10.4666 10.4666 10.7914 10.7914 10.8861 10.8861 11.0030 11.0030 11.4543 11.4543 11.5081 11.5081 11.5556 11.5556 11.7916 11.7916 11.9495 11.9495 k = 0.5000 0.2887 0.4754 ( 14332 PWs) bands (ev): -0.4824 -0.4824 -0.3765 -0.3765 -0.0032 -0.0032 0.6060 0.6060 0.6945 0.6945 0.7654 0.7654 1.5422 1.5422 2.6727 2.6727 4.7802 4.7802 5.1490 5.1490 5.4166 5.4166 5.7664 5.7664 6.1148 6.1148 6.1329 6.1329 6.2553 6.2553 6.4910 6.4910 6.8639 6.8639 6.9876 6.9876 7.0164 7.0164 7.0512 7.0512 7.2208 7.2208 7.4212 7.4212 7.6694 7.6694 7.7117 7.7117 7.8712 7.8712 7.9669 7.9669 8.4033 8.4033 8.5914 8.5914 8.6497 8.6497 8.7887 8.7887 8.8266 8.8266 9.5237 9.5237 9.5366 9.5366 9.6870 9.6870 9.8374 9.8374 10.1681 10.1681 10.2041 10.2041 10.2474 10.2474 10.4372 10.4372 10.8087 10.8087 10.9353 10.9353 11.0569 11.0569 11.3988 11.3988 11.5321 11.5321 11.5745 11.5745 11.8077 11.8077 11.9711 11.9711 k = 0.5000 0.2887 0.4490 ( 14334 PWs) bands (ev): -0.5254 -0.5254 -0.4168 -0.4168 -0.0326 -0.0326 0.6076 0.6076 0.7325 0.7325 0.8211 0.8211 1.5345 1.5345 2.7540 2.7540 4.7881 4.7881 5.1530 5.1530 5.3928 5.3928 5.7585 5.7585 6.0962 6.0962 6.1179 6.1179 6.2304 6.2304 6.4999 6.4999 6.8825 6.8825 7.0068 7.0068 7.0135 7.0135 7.0574 7.0574 7.2210 7.2210 7.4653 7.4653 7.6805 7.6805 7.7071 7.7071 7.7973 7.7973 7.9466 7.9466 8.3934 8.3934 8.5224 8.5224 8.6389 8.6389 8.7681 8.7681 8.7954 8.7954 9.4976 9.4976 9.5168 9.5168 9.6716 9.6716 9.8761 9.8761 10.1103 10.1103 10.1582 10.1582 10.1669 10.1669 10.3860 10.3860 10.8520 10.8520 10.9803 10.9803 11.1006 11.1006 11.3419 11.3419 11.5601 11.5601 11.6015 11.6015 11.8202 11.8202 12.0018 12.0018 k = 0.5000 0.2887 0.4226 ( 14316 PWs) bands (ev): -0.5663 -0.5663 -0.4552 -0.4552 -0.0610 -0.0610 0.6062 0.6062 0.7684 0.7684 0.8751 0.8751 1.5306 1.5306 2.8368 2.8368 4.8008 4.8008 5.1550 5.1550 5.3724 5.3724 5.7533 5.7533 6.0610 6.0610 6.1148 6.1148 6.1967 6.1967 6.5089 6.5089 6.8985 6.8985 6.9973 6.9973 7.0317 7.0317 7.0652 7.0652 7.2347 7.2347 7.5073 7.5073 7.6671 7.6671 7.6919 7.6919 7.7630 7.7630 7.9216 7.9216 8.3819 8.3819 8.4535 8.4535 8.6307 8.6307 8.7483 8.7483 8.7670 8.7670 9.4663 9.4663 9.4917 9.4917 9.6587 9.6587 9.9119 9.9119 10.0536 10.0536 10.0900 10.0900 10.1276 10.1276 10.3255 10.3255 10.9101 10.9101 11.0199 11.0199 11.1287 11.1287 11.2856 11.2856 11.5933 11.5933 11.6352 11.6352 11.8286 11.8286 12.0411 12.0411 k = 0.5000 0.2887 0.3962 ( 14320 PWs) bands (ev): -0.6051 -0.6051 -0.4918 -0.4918 -0.0881 -0.0881 0.6022 0.6022 0.8020 0.8020 0.9270 0.9270 1.5298 1.5298 2.9208 2.9208 4.8181 4.8181 5.1552 5.1552 5.3553 5.3553 5.7512 5.7512 6.0265 6.0265 6.1009 6.1009 6.1619 6.1619 6.5167 6.5167 6.9116 6.9116 6.9888 6.9888 7.0417 7.0417 7.0745 7.0745 7.2587 7.2587 7.5317 7.5317 7.6282 7.6282 7.6704 7.6704 7.7802 7.7802 7.8943 7.8943 8.3698 8.3698 8.3862 8.3862 8.6262 8.6262 8.7293 8.7293 8.7398 8.7398 9.4326 9.4326 9.4625 9.4625 9.6435 9.6435 9.9176 9.9176 9.9992 9.9992 10.0470 10.0470 10.1100 10.1100 10.2628 10.2628 10.9763 10.9763 11.0547 11.0547 11.1397 11.1397 11.2311 11.2311 11.6309 11.6309 11.6743 11.6743 11.8324 11.8324 12.0881 12.0881 k = 0.5000 0.2887 0.3698 ( 14300 PWs) bands (ev): -0.6416 -0.6416 -0.5263 -0.5263 -0.1139 -0.1139 0.5961 0.5961 0.8333 0.8333 0.9767 0.9767 1.5318 1.5318 3.0060 3.0060 4.8399 4.8399 5.1539 5.1539 5.3416 5.3416 5.7523 5.7523 5.9929 5.9929 6.0640 6.0640 6.1407 6.1407 6.5221 6.5221 6.9206 6.9206 6.9823 6.9823 7.0442 7.0442 7.0824 7.0824 7.2894 7.2894 7.5028 7.5028 7.6029 7.6029 7.6865 7.6865 7.8006 7.8006 7.8698 7.8698 8.3219 8.3219 8.3577 8.3577 8.6258 8.6258 8.7110 8.7110 8.7133 8.7133 9.3973 9.3973 9.4316 9.4316 9.6231 9.6231 9.8658 9.8658 9.9471 9.9471 10.0592 10.0592 10.1109 10.1109 10.2013 10.2013 11.0468 11.0468 11.0847 11.0847 11.1331 11.1331 11.1828 11.1828 11.6710 11.6710 11.7172 11.7172 11.8311 11.8311 12.1402 12.1404 k = 0.5000 0.2887 0.3434 ( 14306 PWs) bands (ev): -0.6759 -0.6759 -0.5588 -0.5588 -0.1383 -0.1383 0.5884 0.5884 0.8621 0.8621 1.0240 1.0240 1.5359 1.5359 3.0922 3.0922 4.8659 4.8659 5.1512 5.1512 5.3311 5.3311 5.7565 5.7565 5.9593 5.9593 6.0107 6.0107 6.1307 6.1307 6.5245 6.5245 6.9250 6.9250 6.9769 6.9769 7.0392 7.0392 7.0863 7.0863 7.3240 7.3240 7.4476 7.4476 7.5869 7.5869 7.7253 7.7253 7.8127 7.8127 7.8570 7.8570 8.2629 8.2629 8.3458 8.3458 8.6293 8.6293 8.6858 8.6858 8.6949 8.6949 9.3611 9.3611 9.4006 9.4006 9.5970 9.5970 9.7936 9.7936 9.8964 9.8964 10.0830 10.0830 10.1332 10.1332 10.1453 10.1453 11.0998 11.0998 11.1062 11.1062 11.1193 11.1193 11.1588 11.1588 11.7111 11.7111 11.7619 11.7619 11.8254 11.8254 12.1850 12.1850 k = 0.5000 0.2887 0.3169 ( 14318 PWs) bands (ev): -0.7079 -0.7079 -0.5892 -0.5892 -0.1612 -0.1612 0.5795 0.5795 0.8884 0.8884 1.0687 1.0687 1.5415 1.5415 3.1789 3.1789 4.8956 4.8956 5.1473 5.1473 5.3237 5.3237 5.7630 5.7630 5.9191 5.9191 5.9593 5.9593 6.1238 6.1238 6.5232 6.5232 6.9251 6.9251 6.9659 6.9659 7.0270 7.0270 7.0861 7.0861 7.3602 7.3602 7.4009 7.4009 7.5623 7.5623 7.7712 7.7712 7.8136 7.8136 7.8623 7.8623 8.2113 8.2113 8.3346 8.3346 8.6355 8.6355 8.6588 8.6588 8.6803 8.6803 9.3246 9.3246 9.3706 9.3706 9.5664 9.5664 9.7194 9.7194 9.8477 9.8477 10.0858 10.0858 10.1053 10.1053 10.1776 10.1776 11.0553 11.0553 11.1003 11.1003 11.1562 11.1562 11.2029 11.2029 11.7497 11.7497 11.7958 11.7958 11.8270 11.8270 12.2135 12.2135 k = 0.5000 0.2887 0.2905 ( 14318 PWs) bands (ev): -0.7375 -0.7375 -0.6174 -0.6174 -0.1824 -0.1824 0.5698 0.5698 0.9123 0.9123 1.1105 1.1105 1.5483 1.5483 3.2660 3.2660 4.9280 4.9280 5.1427 5.1427 5.3191 5.3191 5.7691 5.7691 5.8641 5.8641 5.9261 5.9261 6.1176 6.1176 6.5179 6.5179 6.9208 6.9208 6.9353 6.9353 7.0175 7.0175 7.0833 7.0833 7.3699 7.3699 7.3965 7.3965 7.5310 7.5310 7.8093 7.8093 7.8157 7.8157 7.8807 7.8807 8.1696 8.1696 8.3243 8.3243 8.6316 8.6316 8.6402 8.6402 8.6718 8.6718 9.2884 9.2884 9.3422 9.3422 9.5329 9.5329 9.6473 9.6473 9.8013 9.8013 10.0347 10.0347 10.1295 10.1295 10.2217 10.2217 11.0067 11.0067 11.0787 11.0787 11.1783 11.1783 11.2782 11.2782 11.7843 11.7843 11.7884 11.7884 11.8681 11.8681 12.2397 12.2397 k = 0.5000 0.2887 0.2641 ( 14330 PWs) bands (ev): -0.7646 -0.7646 -0.6433 -0.6433 -0.2021 -0.2021 0.5598 0.5598 0.9338 0.9338 1.1492 1.1492 1.5557 1.5557 3.3531 3.3531 4.9619 4.9619 5.1375 5.1375 5.3174 5.3174 5.7608 5.7608 5.8152 5.8152 5.9071 5.9071 6.1115 6.1115 6.5084 6.5084 6.8739 6.8739 6.9206 6.9206 7.0160 7.0160 7.0784 7.0784 7.3501 7.3501 7.4316 7.4316 7.4989 7.4989 7.8171 7.8171 7.8320 7.8320 7.9164 7.9164 8.1397 8.1397 8.3154 8.3154 8.6049 8.6049 8.6351 8.6351 8.6765 8.6765 9.2530 9.2530 9.3160 9.3160 9.4982 9.4982 9.5789 9.5789 9.7575 9.7575 9.9872 9.9872 10.1577 10.1577 10.2641 10.2641 10.9596 10.9596 11.0525 11.0525 11.2002 11.2002 11.3553 11.3553 11.7636 11.7636 11.8215 11.8215 11.9185 11.9185 12.2657 12.2657 k = 0.5000 0.2887 0.2377 ( 14316 PWs) bands (ev): -0.7893 -0.7893 -0.6670 -0.6670 -0.2200 -0.2200 0.5498 0.5498 0.9530 0.9530 1.1848 1.1848 1.5634 1.5634 3.4396 3.4396 4.9951 4.9951 5.1320 5.1320 5.3183 5.3183 5.7139 5.7139 5.8010 5.8010 5.9013 5.9013 6.1054 6.1054 6.4943 6.4943 6.8010 6.8010 6.9161 6.9161 7.0177 7.0177 7.0711 7.0711 7.3313 7.3313 7.4628 7.4628 7.4759 7.4759 7.8135 7.8135 7.8458 7.8458 7.9635 7.9635 8.1220 8.1220 8.3080 8.3080 8.5786 8.5786 8.6238 8.6238 8.6907 8.6907 9.2191 9.2191 9.2924 9.2924 9.4636 9.4636 9.5146 9.5146 9.7165 9.7165 9.9436 9.9436 10.1886 10.1886 10.3025 10.3025 10.9151 10.9151 11.0255 11.0255 11.2207 11.2207 11.4324 11.4324 11.7359 11.7359 11.8550 11.8550 11.9711 11.9711 12.2904 12.2904 k = 0.5000 0.2887 0.2113 ( 14320 PWs) bands (ev): -0.8115 -0.8115 -0.6882 -0.6882 -0.2362 -0.2362 0.5402 0.5402 0.9698 0.9698 1.2170 1.2170 1.5711 1.5711 3.5249 3.5249 5.0245 5.0245 5.1266 5.1266 5.3219 5.3219 5.6579 5.6579 5.7936 5.7936 5.9106 5.9106 6.0994 6.0994 6.4751 6.4751 6.7209 6.7209 6.9121 6.9121 7.0193 7.0193 7.0616 7.0616 7.3054 7.3054 7.4602 7.4602 7.4975 7.4975 7.8001 7.8001 7.8635 7.8635 8.0122 8.0122 8.1149 8.1149 8.3026 8.3026 8.5530 8.5530 8.6112 8.6112 8.7088 8.7088 9.1871 9.1871 9.2714 9.2714 9.4300 9.4300 9.4550 9.4550 9.6786 9.6786 9.9039 9.9039 10.2209 10.2209 10.3359 10.3359 10.8739 10.8739 10.9999 10.9999 11.2390 11.2390 11.5086 11.5086 11.7046 11.7046 11.8874 11.8874 12.0253 12.0253 12.3121 12.3121 k = 0.5000 0.2887 0.1849 ( 14330 PWs) bands (ev): -0.8311 -0.8311 -0.7071 -0.7071 -0.2506 -0.2506 0.5311 0.5311 0.9844 0.9844 1.2457 1.2457 1.5784 1.5784 3.6082 3.6082 5.0458 5.0458 5.1212 5.1212 5.3286 5.3286 5.6100 5.6100 5.7828 5.7828 5.9321 5.9321 6.0934 6.0934 6.4498 6.4498 6.6399 6.6399 6.9086 6.9086 7.0183 7.0183 7.0513 7.0513 7.2724 7.2724 7.4606 7.4606 7.5252 7.5252 7.7825 7.7825 7.8837 7.8837 8.0563 8.0563 8.1180 8.1180 8.2994 8.2994 8.5283 8.5283 8.5987 8.5987 8.7288 8.7288 9.1574 9.1574 9.2535 9.2535 9.3971 9.3971 9.4015 9.4015 9.6442 9.6442 9.8683 9.8683 10.2529 10.2529 10.3639 10.3639 10.8363 10.8363 10.9770 10.9770 11.2549 11.2549 11.5830 11.5830 11.6713 11.6713 11.9187 11.9187 12.0809 12.0809 12.3287 12.3287 k = 0.5000 0.2887 0.1585 ( 14318 PWs) bands (ev): -0.8482 -0.8482 -0.7235 -0.7235 -0.2631 -0.2631 0.5228 0.5228 0.9969 0.9969 1.2708 1.2708 1.5851 1.5851 3.6884 3.6884 5.0551 5.0551 5.1147 5.1147 5.3387 5.3387 5.5774 5.5774 5.7707 5.7707 5.9615 5.9615 6.0873 6.0873 6.4161 6.4161 6.5636 6.5636 6.9058 6.9058 7.0109 7.0109 7.0442 7.0442 7.2373 7.2373 7.4676 7.4676 7.5498 7.5498 7.7647 7.7647 7.9045 7.9045 8.0860 8.0860 8.1365 8.1365 8.2986 8.2986 8.5046 8.5046 8.5865 8.5865 8.7497 8.7497 9.1306 9.1306 9.2386 9.2386 9.3504 9.3504 9.3695 9.3695 9.6136 9.6136 9.8369 9.8369 10.2830 10.2830 10.3869 10.3869 10.8029 10.8029 10.9577 10.9577 11.2685 11.2685 11.6354 11.6354 11.6568 11.6568 11.9486 11.9486 12.1378 12.1378 12.3372 12.3374 k = 0.5000 0.2887 0.1321 ( 14310 PWs) bands (ev): -0.8627 -0.8627 -0.7374 -0.7374 -0.2738 -0.2738 0.5156 0.5156 1.0073 1.0073 1.2921 1.2921 1.5911 1.5911 3.7638 3.7638 5.0504 5.0504 5.1066 5.1066 5.3507 5.3507 5.5649 5.5649 5.7590 5.7590 5.9955 5.9955 6.0811 6.0811 6.3714 6.3714 6.4976 6.4976 6.9039 6.9039 6.9963 6.9963 7.0419 7.0419 7.2042 7.2042 7.4774 7.4774 7.5709 7.5709 7.7487 7.7487 7.9243 7.9243 8.0986 8.0986 8.1698 8.1698 8.3003 8.3003 8.4822 8.4822 8.5750 8.5750 8.7705 8.7705 9.1071 9.1071 9.2268 9.2268 9.3065 9.3065 9.3430 9.3430 9.5871 9.5871 9.8097 9.8097 10.3094 10.3094 10.4058 10.4058 10.7740 10.7740 10.9425 10.9425 11.2797 11.2797 11.6035 11.6035 11.7241 11.7241 11.9766 11.9766 12.1959 12.1959 12.3359 12.3361 k = 0.5000 0.2887 0.1056 ( 14322 PWs) bands (ev): -0.8746 -0.8746 -0.7488 -0.7488 -0.2825 -0.2825 0.5094 0.5094 1.0156 1.0156 1.3097 1.3097 1.5961 1.5961 3.8325 3.8325 5.0323 5.0323 5.0989 5.0989 5.3620 5.3620 5.5734 5.5734 5.7488 5.7488 6.0315 6.0315 6.0746 6.0746 6.3167 6.3167 6.4443 6.4443 6.9031 6.9031 6.9784 6.9784 7.0418 7.0418 7.1756 7.1756 7.4874 7.4874 7.5883 7.5883 7.7354 7.7354 7.9420 7.9420 8.1050 8.1050 8.2049 8.2049 8.3042 8.3042 8.4614 8.4614 8.5643 8.5643 8.7903 8.7903 9.0871 9.0871 9.2181 9.2181 9.2686 9.2686 9.3200 9.3200 9.5649 9.5649 9.7870 9.7870 10.3304 10.3304 10.4221 10.4221 10.7499 10.7499 10.9312 10.9312 11.2885 11.2885 11.5731 11.5731 11.7876 11.7876 12.0018 12.0018 12.2544 12.2544 12.3264 12.3283 k = 0.5000 0.2887 0.0792 ( 14302 PWs) bands (ev): -0.8839 -0.8839 -0.7578 -0.7578 -0.2894 -0.2894 0.5045 0.5045 1.0221 1.0221 1.3235 1.3235 1.6002 1.6002 3.8916 3.8916 5.0056 5.0056 5.0934 5.0934 5.3705 5.3705 5.5978 5.5978 5.7406 5.7406 6.0558 6.0558 6.0784 6.0784 6.2606 6.2606 6.4007 6.4007 6.9038 6.9038 6.9603 6.9603 7.0421 7.0421 7.1527 7.1527 7.4963 7.4963 7.6020 7.6020 7.7251 7.7251 7.9568 7.9568 8.1093 8.1093 8.2354 8.2354 8.3100 8.3100 8.4428 8.4428 8.5547 8.5547 8.8079 8.8079 9.0712 9.0712 9.2122 9.2122 9.2374 9.2374 9.3009 9.3009 9.5474 9.5474 9.7690 9.7690 10.3451 10.3451 10.4364 10.4364 10.7309 10.7309 10.9235 10.9235 11.2953 11.2953 11.5470 11.5470 11.8440 11.8440 12.0232 12.0232 12.3066 12.3067 12.3210 12.3216 k = 0.5000 0.2887 0.0528 ( 14330 PWs) bands (ev): -0.8905 -0.8905 -0.7642 -0.7642 -0.2943 -0.2943 0.5010 0.5010 1.0266 1.0266 1.3333 1.3333 1.6031 1.6031 3.9380 3.9380 4.9788 4.9788 5.0898 5.0898 5.3760 5.3760 5.6291 5.6291 5.7345 5.7345 6.0473 6.0473 6.1099 6.1099 6.2139 6.2139 6.3636 6.3636 6.9062 6.9062 6.9439 6.9439 7.0423 7.0423 7.1361 7.1361 7.5031 7.5031 7.6119 7.6119 7.7178 7.7178 7.9678 7.9678 8.1122 8.1122 8.2590 8.2590 8.3166 8.3166 8.4272 8.4272 8.5469 8.5469 8.8221 8.8221 9.0596 9.0596 9.2084 9.2084 9.2143 9.2143 9.2863 9.2863 9.5348 9.5348 9.7559 9.7559 10.3540 10.3540 10.4482 10.4482 10.7172 10.7172 10.9186 10.9186 11.3000 11.3000 11.5269 11.5269 11.8903 11.8903 12.0396 12.0396 12.2991 12.2991 12.3224 12.3226 k = 0.5000 0.2887 0.0264 ( 14344 PWs) bands (ev): -0.8945 -0.8945 -0.7680 -0.7680 -0.2972 -0.2972 0.4988 0.4988 1.0294 1.0294 1.3393 1.3393 1.6049 1.6049 3.9678 3.9678 4.9593 4.9593 5.0878 5.0878 5.3792 5.3792 5.6560 5.6560 5.7308 5.7308 6.0338 6.0338 6.1379 6.1379 6.1848 6.1848 6.3353 6.3353 6.9108 6.9108 6.9305 6.9305 7.0424 7.0424 7.1262 7.1262 7.5074 7.5074 7.6180 7.6180 7.7134 7.7134 7.9746 7.9746 8.1139 8.1139 8.2738 8.2738 8.3224 8.3224 8.4164 8.4164 8.5417 8.5417 8.8313 8.8313 9.0526 9.0526 9.1986 9.1986 9.2078 9.2078 9.2770 9.2770 9.5271 9.5271 9.7480 9.7480 10.3584 10.3584 10.4561 10.4561 10.7089 10.7089 10.9160 10.9160 11.3027 11.3027 11.5142 11.5142 11.9217 11.9217 12.0499 12.0499 12.2866 12.2866 12.3186 12.3186 k = 0.5000 0.2887-0.0000 ( 14350 PWs) bands (ev): -0.8958 -0.8958 -0.7693 -0.7693 -0.2982 -0.2982 0.4981 0.4981 1.0303 1.0303 1.3412 1.3412 1.6055 1.6055 3.9781 3.9781 4.9522 4.9522 5.0871 5.0871 5.3802 5.3802 5.6669 5.6669 5.7295 5.7295 6.0274 6.0274 6.1495 6.1495 6.1753 6.1753 6.3237 6.3237 6.9155 6.9155 6.9227 6.9227 7.0424 7.0424 7.1229 7.1229 7.5089 7.5089 7.6200 7.6200 7.7120 7.7120 7.9769 7.9769 8.1145 8.1145 8.2788 8.2788 8.3248 8.3248 8.4124 8.4124 8.5398 8.5398 8.8346 8.8346 9.0502 9.0502 9.1937 9.1937 9.2072 9.2072 9.2738 9.2738 9.5245 9.5245 9.7453 9.7453 10.3597 10.3597 10.4590 10.4590 10.7061 10.7061 10.9152 10.9152 11.3036 11.3036 11.5098 11.5098 11.9330 11.9330 12.0534 12.0534 12.2813 12.2813 12.3174 12.3174 k = 0.3333 0.5774-0.0000 ( 14358 PWs) bands (ev): -0.7475 -0.7475 -0.7433 -0.7433 -0.5163 -0.5163 0.4385 0.4385 1.2248 1.2248 1.2314 1.2314 1.6117 1.6117 3.9782 3.9782 4.9962 4.9962 5.3382 5.3382 5.3442 5.3442 5.5150 5.5150 5.5289 5.5289 5.9245 5.9245 6.0405 6.0405 6.1819 6.1819 6.6747 6.6747 6.8248 6.8248 7.1249 7.1249 7.2022 7.2022 7.2800 7.2800 7.4198 7.4198 7.5029 7.5029 7.8243 7.8243 8.0226 8.0226 8.0252 8.0252 8.0492 8.0492 8.0505 8.0505 8.5246 8.5246 8.5824 8.5824 8.6022 8.6022 9.1279 9.1279 9.1634 9.1634 9.1818 9.1818 9.2740 9.2740 10.0723 10.0723 10.0942 10.0942 10.2912 10.2912 10.3000 10.3000 10.6058 10.6058 10.6089 10.6089 11.0388 11.0388 11.5566 11.5566 12.1254 12.1254 12.1412 12.1412 12.1747 12.1749 12.1844 12.1872 k = 0.3333 0.5774 0.0264 ( 14358 PWs) bands (ev): -0.7462 -0.7462 -0.7421 -0.7421 -0.5151 -0.5151 0.4391 0.4391 1.2234 1.2234 1.2300 1.2300 1.6110 1.6110 3.9675 3.9675 5.0061 5.0061 5.3325 5.3325 5.3393 5.3393 5.5156 5.5156 5.5310 5.5310 5.9307 5.9307 6.0423 6.0423 6.1785 6.1785 6.6807 6.6807 6.8275 6.8275 7.1253 7.1253 7.2027 7.2027 7.2825 7.2825 7.4224 7.4224 7.5021 7.5021 7.8233 7.8233 7.9959 7.9959 7.9982 7.9982 8.0733 8.0733 8.0744 8.0744 8.5249 8.5249 8.5822 8.5822 8.6019 8.6019 9.1284 9.1284 9.1669 9.1669 9.1854 9.1854 9.2764 9.2764 10.0676 10.0676 10.0877 10.0877 10.3004 10.3004 10.3072 10.3072 10.6045 10.6045 10.6073 10.6073 11.0379 11.0379 11.5589 11.5589 12.0979 12.0979 12.1369 12.1369 12.1765 12.1776 12.1829 12.1853 k = 0.3333 0.5774 0.0528 ( 14364 PWs) bands (ev): -0.7424 -0.7424 -0.7383 -0.7383 -0.5117 -0.5117 0.4409 0.4409 1.2192 1.2192 1.2257 1.2257 1.6091 1.6091 3.9368 3.9368 5.0343 5.0343 5.3164 5.3164 5.3257 5.3257 5.5177 5.5177 5.5369 5.5369 5.9482 5.9482 6.0462 6.0462 6.1706 6.1706 6.6967 6.6967 6.8364 6.8364 7.1262 7.1262 7.2037 7.2037 7.2905 7.2905 7.4302 7.4302 7.4998 7.4998 7.8205 7.8205 7.9571 7.9571 7.9587 7.9587 8.1042 8.1042 8.1044 8.1044 8.5259 8.5259 8.5818 8.5818 8.6012 8.6012 9.1299 9.1299 9.1774 9.1774 9.1960 9.1960 9.2834 9.2834 10.0553 10.0553 10.0711 10.0711 10.3249 10.3249 10.3272 10.3272 10.6008 10.6008 10.6029 10.6029 11.0351 11.0351 11.5661 11.5661 12.0396 12.0396 12.1410 12.1410 12.1782 12.1805 12.1814 12.1817 k = 0.3333 0.5774 0.0792 ( 14352 PWs) bands (ev): -0.7361 -0.7361 -0.7320 -0.7320 -0.5059 -0.5059 0.4439 0.4439 1.2122 1.2122 1.2187 1.2187 1.6059 1.6059 3.8893 3.8893 5.0767 5.0767 5.2918 5.2918 5.3063 5.3063 5.5213 5.5213 5.5454 5.5454 5.9750 5.9750 6.0478 6.0478 6.1645 6.1645 6.7180 6.7180 6.8535 6.8535 7.1272 7.1272 7.2036 7.2036 7.3049 7.3049 7.4437 7.4437 7.4963 7.4963 7.8158 7.8158 7.9158 7.9158 7.9161 7.9161 8.1316 8.1316 8.1328 8.1328 8.5278 8.5278 8.5812 8.5812 8.6000 8.6000 9.1325 9.1325 9.1949 9.1949 9.2136 9.2136 9.2949 9.2949 10.0386 10.0386 10.0495 10.0495 10.3563 10.3563 10.3597 10.3597 10.5949 10.5949 10.5961 10.5961 11.0301 11.0301 11.5782 11.5782 11.9767 11.9767 12.1477 12.1477 12.1694 12.1697 12.1741 12.1742 k = 0.3333 0.5774 0.1056 ( 14337 PWs) bands (ev): -0.7273 -0.7273 -0.7232 -0.7232 -0.4979 -0.4979 0.4480 0.4480 1.2024 1.2024 1.2088 1.2088 1.6016 1.6016 3.8287 3.8287 5.1266 5.1266 5.2613 5.2613 5.2861 5.2861 5.5264 5.5264 5.5555 5.5555 6.0085 6.0085 6.0414 6.0414 6.1678 6.1678 6.7389 6.7389 6.8812 6.8812 7.1272 7.1272 7.2014 7.2014 7.3256 7.3256 7.4632 7.4632 7.4919 7.4919 7.8091 7.8091 7.8713 7.8713 7.8736 7.8736 8.1555 8.1555 8.1585 8.1585 8.5310 8.5310 8.5804 8.5804 8.5983 8.5983 9.1366 9.1366 9.2189 9.2189 9.2379 9.2379 9.3105 9.3105 10.0201 10.0201 10.0264 10.0264 10.3912 10.3912 10.4009 10.4009 10.5875 10.5875 10.5879 10.5879 11.0224 11.0224 11.5954 11.5954 11.9132 11.9132 12.1489 12.1489 12.1560 12.1560 12.1697 12.1697 k = 0.3333 0.5774 0.1321 ( 14322 PWs) bands (ev): -0.7160 -0.7160 -0.7118 -0.7118 -0.4876 -0.4876 0.4531 0.4531 1.1898 1.1898 1.1960 1.1960 1.5961 1.5961 3.7586 3.7586 5.1691 5.1691 5.2273 5.2273 5.2781 5.2781 5.5329 5.5329 5.5666 5.5666 6.0262 6.0262 6.0464 6.0464 6.1829 6.1829 6.7561 6.7561 6.9195 6.9195 7.1256 7.1256 7.1969 7.1969 7.3503 7.3503 7.4881 7.4881 7.4885 7.4885 7.7995 7.7995 7.8255 7.8255 7.8329 7.8329 8.1760 8.1760 8.1811 8.1811 8.5358 8.5358 8.5794 8.5794 8.5964 8.5964 9.1425 9.1425 9.2493 9.2493 9.2686 9.2686 9.3298 9.3298 10.0016 10.0016 10.0034 10.0034 10.4286 10.4286 10.4461 10.4461 10.5793 10.5793 10.5805 10.5805 11.0116 11.0116 11.6177 11.6177 11.8503 11.8503 12.1329 12.1329 12.1361 12.1361 12.1768 12.1768 k = 0.3333 0.5774 0.1585 ( 14310 PWs) bands (ev): -0.7022 -0.7022 -0.6980 -0.6980 -0.4751 -0.4751 0.4592 0.4592 1.1743 1.1743 1.1804 1.1804 1.5897 1.5897 3.6817 3.6817 5.1764 5.1764 5.1919 5.1919 5.3083 5.3083 5.5407 5.5407 5.5785 5.5785 6.0070 6.0070 6.0871 6.0871 6.2063 6.2063 6.7698 6.7698 6.9654 6.9654 7.1217 7.1217 7.1911 7.1911 7.3736 7.3736 7.4880 7.4880 7.5182 7.5182 7.7795 7.7795 7.7808 7.7808 7.8041 7.8041 8.1930 8.1930 8.2005 8.2005 8.5424 8.5424 8.5786 8.5786 8.5944 8.5944 9.1502 9.1502 9.2858 9.2858 9.3053 9.3053 9.3524 9.3524 9.9814 9.9814 9.9838 9.9838 10.4635 10.4635 10.4929 10.4929 10.5726 10.5726 10.5781 10.5781 10.9973 10.9973 11.6448 11.6448 11.7887 11.7887 12.1060 12.1060 12.1085 12.1085 12.1831 12.1832 k = 0.3333 0.5774 0.1849 ( 14319 PWs) bands (ev): -0.6859 -0.6859 -0.6818 -0.6818 -0.4604 -0.4604 0.4660 0.4660 1.1559 1.1559 1.1619 1.1619 1.5824 1.5824 3.6001 3.6001 5.1568 5.1568 5.1573 5.1573 5.3662 5.3662 5.5496 5.5496 5.5908 5.5908 5.9885 5.9885 6.1291 6.1291 6.2348 6.2348 6.7813 6.7813 7.0138 7.0138 7.1153 7.1153 7.1851 7.1851 7.3865 7.3865 7.4963 7.4963 7.5473 7.5473 7.7424 7.7424 7.7479 7.7479 7.7930 7.7930 8.2066 8.2066 8.2167 8.2167 8.5511 8.5511 8.5779 8.5779 8.5927 8.5927 9.1599 9.1599 9.3278 9.3278 9.3476 9.3476 9.3779 9.3779 9.9606 9.9606 9.9671 9.9671 10.4867 10.4867 10.5313 10.5313 10.5772 10.5772 10.5902 10.5902 10.9794 10.9794 11.6750 11.6750 11.7298 11.7298 12.0708 12.0708 12.0725 12.0725 12.1643 12.1643 k = 0.3333 0.5774 0.2113 ( 14328 PWs) bands (ev): -0.6672 -0.6672 -0.6631 -0.6631 -0.4436 -0.4436 0.4734 0.4734 1.1347 1.1347 1.1405 1.1405 1.5745 1.5745 3.5153 3.5153 5.1230 5.1230 5.1316 5.1316 5.4297 5.4297 5.5592 5.5592 5.6035 5.6035 5.9745 5.9745 6.1719 6.1719 6.2661 6.2661 6.7920 6.7920 7.0584 7.0584 7.1062 7.1062 7.1822 7.1822 7.3836 7.3836 7.5111 7.5111 7.5622 7.5622 7.7234 7.7234 7.7235 7.7235 7.7889 7.7889 8.2168 8.2168 8.2295 8.2295 8.5615 8.5615 8.5779 8.5779 8.5920 8.5920 9.1718 9.1718 9.3750 9.3750 9.3951 9.3951 9.4060 9.4060 9.9409 9.9409 9.9513 9.9513 10.4929 10.4929 10.5394 10.5394 10.6155 10.6155 10.6226 10.6226 10.9579 10.9579 11.6653 11.6653 11.7155 11.7155 12.0282 12.0282 12.0285 12.0285 12.1262 12.1262 k = 0.3333 0.5774 0.2377 ( 14316 PWs) bands (ev): -0.6461 -0.6461 -0.6420 -0.6420 -0.4246 -0.4246 0.4812 0.4812 1.1106 1.1106 1.1162 1.1162 1.5662 1.5662 3.4285 3.4285 5.0915 5.0915 5.1056 5.1056 5.4903 5.4903 5.5692 5.5692 5.6163 5.6163 5.9685 5.9685 6.2147 6.2147 6.2991 6.2991 6.8026 6.8026 7.0887 7.0887 7.0947 7.0947 7.1895 7.1895 7.3681 7.3681 7.5196 7.5196 7.5466 7.5466 7.7162 7.7162 7.7400 7.7400 7.7935 7.7935 8.2239 8.2239 8.2390 8.2391 8.5721 8.5721 8.5787 8.5787 8.5944 8.5944 9.1858 9.1858 9.4268 9.4268 9.4363 9.4363 9.4472 9.4472 9.9220 9.9220 9.9361 9.9361 10.4899 10.4899 10.5363 10.5363 10.6678 10.6678 10.6690 10.6690 10.9334 10.9334 11.6103 11.6103 11.7486 11.7486 11.9781 11.9781 11.9801 11.9801 12.0819 12.0819 k = 0.3333 0.5774 0.2641 ( 14316 PWs) bands (ev): -0.6226 -0.6226 -0.6186 -0.6186 -0.4036 -0.4036 0.4892 0.4892 1.0837 1.0837 1.0891 1.0891 1.5577 1.5577 3.3405 3.3405 5.0631 5.0631 5.0814 5.0814 5.5429 5.5429 5.5794 5.5794 5.6288 5.6288 5.9737 5.9737 6.2574 6.2574 6.3330 6.3330 6.8134 6.8134 7.0810 7.0810 7.0970 7.0970 7.2110 7.2110 7.3439 7.3439 7.5086 7.5086 7.5133 7.5133 7.7269 7.7269 7.7825 7.7825 7.8129 7.8129 8.2286 8.2286 8.2456 8.2456 8.5794 8.5794 8.5809 8.5809 8.6037 8.6037 9.2019 9.2019 9.4685 9.4685 9.4826 9.4826 9.5034 9.5034 9.9036 9.9036 9.9209 9.9209 10.4852 10.4852 10.5338 10.5338 10.7187 10.7187 10.7265 10.7265 10.9066 10.9066 11.5560 11.5560 11.7780 11.7780 11.9234 11.9234 11.9293 11.9293 12.0345 12.0345 k = 0.3333 0.5774 0.2905 ( 14310 PWs) bands (ev): -0.5969 -0.5969 -0.5928 -0.5928 -0.3806 -0.3806 0.4969 0.4969 1.0539 1.0539 1.0592 1.0592 1.5494 1.5494 3.2520 3.2520 5.0383 5.0383 5.0600 5.0600 5.5845 5.5845 5.5892 5.5892 5.6404 5.6404 5.9923 5.9923 6.2996 6.2996 6.3675 6.3675 6.8248 6.8248 7.0655 7.0655 7.0903 7.0903 7.2364 7.2364 7.3137 7.3137 7.4620 7.4620 7.4971 7.4971 7.7480 7.7480 7.8352 7.8352 7.8499 7.8499 8.2324 8.2324 8.2500 8.2500 8.5839 8.5839 8.5847 8.5847 8.6198 8.6198 9.2202 9.2202 9.5022 9.5022 9.5417 9.5417 9.5629 9.5629 9.8851 9.8851 9.9052 9.9052 10.4827 10.4827 10.5344 10.5344 10.7709 10.7709 10.7861 10.7861 10.8798 10.8798 11.5040 11.5040 11.7912 11.7912 11.8666 11.8666 11.8786 11.8786 11.9897 11.9897 k = 0.3333 0.5774 0.3169 ( 14295 PWs) bands (ev): -0.5688 -0.5688 -0.5647 -0.5647 -0.3556 -0.3556 0.5042 0.5042 1.0215 1.0215 1.0265 1.0265 1.5417 1.5417 3.1634 3.1634 5.0174 5.0174 5.0421 5.0421 5.5983 5.5983 5.6146 5.6146 5.6504 5.6504 6.0241 6.0241 6.3415 6.3415 6.4023 6.4023 6.8369 6.8369 7.0484 7.0484 7.0767 7.0767 7.2549 7.2549 7.2796 7.2796 7.4130 7.4130 7.4778 7.4778 7.7772 7.7772 7.8887 7.8887 7.8981 7.8981 8.2381 8.2381 8.2541 8.2541 8.5887 8.5887 8.5906 8.5906 8.6396 8.6396 9.2406 9.2406 9.5369 9.5369 9.6026 9.6026 9.6247 9.6247 9.8666 9.8666 9.8884 9.8884 10.4844 10.4844 10.5396 10.5396 10.8099 10.8099 10.8471 10.8471 10.8670 10.8670 11.4547 11.4547 11.7737 11.7737 11.8096 11.8096 11.8275 11.8275 11.9580 11.9580 k = 0.3333 0.5774 0.3434 ( 14328 PWs) bands (ev): -0.5385 -0.5385 -0.5344 -0.5344 -0.3289 -0.3289 0.5106 0.5106 0.9863 0.9863 0.9912 0.9912 1.5349 1.5349 3.0751 3.0751 5.0009 5.0009 5.0282 5.0282 5.6061 5.6061 5.6353 5.6353 5.6583 5.6583 6.0661 6.0661 6.3827 6.3827 6.4368 6.4368 6.8496 6.8496 7.0303 7.0303 7.0593 7.0593 7.2427 7.2427 7.2649 7.2649 7.3642 7.3642 7.4584 7.4584 7.8162 7.8162 7.9351 7.9351 7.9476 7.9476 8.2508 8.2508 8.2619 8.2619 8.5955 8.5955 8.5986 8.5986 8.6615 8.6615 9.2629 9.2629 9.5722 9.5722 9.6633 9.6633 9.6875 9.6875 9.8490 9.8490 9.8704 9.8704 10.4919 10.4919 10.5501 10.5501 10.7993 10.7993 10.9048 10.9048 10.9092 10.9092 11.4086 11.4086 11.7293 11.7293 11.7541 11.7541 11.7680 11.7680 11.9391 11.9391 k = 0.3333 0.5774 0.3698 ( 14325 PWs) bands (ev): -0.5060 -0.5060 -0.5020 -0.5020 -0.3003 -0.3003 0.5157 0.5157 0.9486 0.9486 0.9533 0.9533 1.5297 1.5297 2.9874 2.9874 4.9889 4.9889 5.0185 5.0185 5.6121 5.6121 5.6495 5.6495 5.6643 5.6643 6.1132 6.1132 6.4233 6.4233 6.4708 6.4708 6.8630 6.8630 7.0116 7.0116 7.0392 7.0392 7.2079 7.2079 7.2656 7.2656 7.3171 7.3171 7.4396 7.4396 7.8644 7.8644 7.9662 7.9662 7.9875 7.9875 8.2768 8.2768 8.2798 8.2798 8.6047 8.6047 8.6092 8.6092 8.6853 8.6853 9.2871 9.2871 9.6075 9.6075 9.7175 9.7175 9.7476 9.7476 9.8371 9.8371 9.8531 9.8531 10.5063 10.5063 10.5668 10.5668 10.7715 10.7715 10.9613 10.9613 10.9719 10.9719 11.3662 11.3662 11.6656 11.6656 11.7013 11.7013 11.7069 11.7069 11.9186 11.9186 k = 0.3333 0.5774 0.3962 ( 14307 PWs) bands (ev): -0.4714 -0.4714 -0.4674 -0.4674 -0.2701 -0.2701 0.5190 0.5190 0.9084 0.9084 0.9129 0.9129 1.5264 1.5264 2.9007 2.9007 4.9815 4.9815 5.0132 5.0132 5.6159 5.6159 5.6594 5.6594 5.6690 5.6690 6.1606 6.1606 6.4630 6.4630 6.5037 6.5037 6.8768 6.8768 6.9927 6.9927 7.0171 7.0171 7.1762 7.1762 7.2624 7.2624 7.2727 7.2727 7.4210 7.4210 7.9192 7.9192 7.9774 7.9774 8.0091 8.0091 8.3141 8.3141 8.3197 8.3197 8.6167 8.6167 8.6224 8.6224 8.7110 8.7110 9.3131 9.3131 9.6424 9.6424 9.7462 9.7462 9.7881 9.7881 9.8486 9.8486 9.8519 9.8519 10.5284 10.5284 10.5904 10.5904 10.7422 10.7422 11.0207 11.0207 11.0349 11.0349 11.3279 11.3279 11.5826 11.5826 11.6526 11.6526 11.6560 11.6560 11.8897 11.8897 k = 0.3333 0.5774 0.4226 ( 14313 PWs) bands (ev): -0.4348 -0.4348 -0.4308 -0.4308 -0.2382 -0.2382 0.5201 0.5201 0.8658 0.8658 0.8703 0.8703 1.5256 1.5256 2.8151 2.8151 4.9788 4.9788 5.0123 5.0123 5.6168 5.6168 5.6658 5.6658 5.6736 5.6736 6.2042 6.2042 6.5014 6.5014 6.5348 6.5348 6.8905 6.8905 6.9745 6.9745 6.9940 6.9940 7.1495 7.1495 7.2319 7.2319 7.2598 7.2598 7.4026 7.4026 7.9704 7.9704 7.9766 7.9766 8.0103 8.0103 8.3652 8.3652 8.3764 8.3764 8.6317 8.6317 8.6387 8.6387 8.7389 8.7389 9.3407 9.3407 9.6762 9.6762 9.7395 9.7395 9.7810 9.7810 9.8919 9.8919 9.8934 9.8934 10.5590 10.5590 10.6215 10.6215 10.7142 10.7142 11.0803 11.0803 11.0974 11.0974 11.2945 11.2945 11.4894 11.4894 11.6094 11.6094 11.6131 11.6131 11.8529 11.8529 k = 0.3333 0.5774 0.4490 ( 14313 PWs) bands (ev): -0.3961 -0.3961 -0.3921 -0.3921 -0.2050 -0.2050 0.5187 0.5187 0.8212 0.8212 0.8255 0.8255 1.5279 1.5279 2.7309 2.7309 4.9807 4.9807 5.0160 5.0160 5.6144 5.6144 5.6667 5.6667 5.6810 5.6810 6.2405 6.2405 6.5381 6.5381 6.5633 6.5633 6.9027 6.9027 6.9575 6.9575 6.9718 6.9718 7.1290 7.1290 7.1956 7.1956 7.2618 7.2618 7.3842 7.3842 7.9501 7.9501 7.9945 7.9945 8.0340 8.0340 8.4272 8.4272 8.4405 8.4405 8.6501 8.6501 8.6586 8.6586 8.7704 8.7704 9.3698 9.3698 9.7082 9.7082 9.7186 9.7186 9.7570 9.7570 9.9446 9.9446 9.9455 9.9455 10.5981 10.5981 10.6605 10.6605 10.6883 10.6883 11.1382 11.1382 11.1584 11.1584 11.2671 11.2671 11.3919 11.3919 11.5736 11.5736 11.5779 11.5779 11.8105 11.8105 k = 0.3333 0.5774 0.4754 ( 14316 PWs) bands (ev): -0.3556 -0.3556 -0.3516 -0.3516 -0.1703 -0.1703 0.5142 0.5142 0.7745 0.7745 0.7787 0.7787 1.5337 1.5337 2.6482 2.6482 4.9873 4.9873 5.0242 5.0242 5.6082 5.6082 5.6625 5.6625 5.6916 5.6916 6.2668 6.2668 6.5723 6.5723 6.5887 6.5887 6.9090 6.9090 6.9424 6.9424 6.9559 6.9559 7.1152 7.1152 7.1646 7.1646 7.2718 7.2718 7.3661 7.3661 7.9207 7.9207 7.9685 7.9685 8.0854 8.0854 8.4930 8.4930 8.5056 8.5056 8.6726 8.6726 8.6833 8.6833 8.8072 8.8072 9.4002 9.4002 9.6943 9.6943 9.7298 9.7298 9.7377 9.7377 9.9932 9.9932 9.9947 9.9947 10.6403 10.6403 10.6694 10.6694 10.7076 10.7076 11.1899 11.1899 11.2164 11.2164 11.2484 11.2484 11.2950 11.2950 11.5476 11.5476 11.5520 11.5520 11.7641 11.7641 k = 0.3333 0.5774 0.5018 ( 14349 PWs) bands (ev): -0.3132 -0.3132 -0.3092 -0.3092 -0.1345 -0.1345 0.5064 0.5064 0.7260 0.7260 0.7301 0.7301 1.5435 1.5435 2.5672 2.5672 4.9983 4.9983 5.0367 5.0367 5.5978 5.5978 5.6535 5.6535 5.7049 5.7049 6.2815 6.2815 6.6034 6.6034 6.6107 6.6107 6.9017 6.9017 6.9294 6.9294 6.9544 6.9544 7.1085 7.1085 7.1401 7.1401 7.2917 7.2917 7.3490 7.3490 7.8847 7.8847 7.9348 7.9348 8.1282 8.1282 8.5564 8.5564 8.5661 8.5661 8.7008 8.7008 8.7147 8.7147 8.8513 8.8513 9.4317 9.4317 9.6702 9.6702 9.7029 9.7029 9.7638 9.7638 10.0328 10.0328 10.0375 10.0375 10.6318 10.6318 10.7090 10.7090 10.7628 10.7628 11.1959 11.1959 11.2130 11.2130 11.2660 11.2660 11.2690 11.2690 11.5350 11.5350 11.5382 11.5382 11.7148 11.7148 k = 0.3333 0.5774 0.5282 ( 14358 PWs) bands (ev): -0.2691 -0.2691 -0.2651 -0.2651 -0.0976 -0.0976 0.4951 0.4951 0.6759 0.6759 0.6800 0.6800 1.5575 1.5575 2.4881 2.4881 5.0135 5.0135 5.0535 5.0535 5.5831 5.5831 5.6398 5.6398 5.7212 5.7212 6.2838 6.2838 6.6297 6.6297 6.6307 6.6307 6.8854 6.8854 6.9182 6.9182 6.9630 6.9630 7.1086 7.1086 7.1240 7.1240 7.3166 7.3166 7.3391 7.3391 7.8439 7.8439 7.8959 7.8959 8.1588 8.1588 8.6122 8.6122 8.6174 8.6174 8.7364 8.7364 8.7540 8.7540 8.9049 8.9049 9.4641 9.4641 9.6489 9.6489 9.6784 9.6784 9.7858 9.7858 10.0620 10.0620 10.0704 10.0704 10.6018 10.6018 10.7723 10.7723 10.8253 10.8253 11.1120 11.1120 11.2102 11.2102 11.3043 11.3043 11.3132 11.3132 11.5398 11.5398 11.5398 11.5398 11.6634 11.6634 k = 0.3333 0.5774 0.5547 ( 14355 PWs) bands (ev): -0.2233 -0.2233 -0.2194 -0.2194 -0.0598 -0.0598 0.4802 0.4802 0.6245 0.6245 0.6285 0.6285 1.5761 1.5761 2.4109 2.4109 5.0329 5.0329 5.0743 5.0743 5.5640 5.5640 5.6213 5.6213 5.7407 5.7407 6.2746 6.2746 6.6458 6.6458 6.6538 6.6538 6.8676 6.8676 6.9074 6.9074 6.9746 6.9746 7.1150 7.1150 7.1179 7.1179 7.3115 7.3115 7.3712 7.3712 7.7996 7.7996 7.8530 7.8530 8.1749 8.1749 8.6578 8.6578 8.6587 8.6587 8.7791 8.7791 8.7989 8.7989 8.9689 8.9689 9.4972 9.4972 9.6330 9.6330 9.6585 9.6585 9.8031 9.8031 10.0796 10.0796 10.0914 10.0914 10.5602 10.5602 10.8406 10.8406 10.8937 10.8937 11.0447 11.0447 11.2105 11.2105 11.3400 11.3400 11.3485 11.3485 11.5586 11.5586 11.5633 11.5633 11.6110 11.6110 k = 0.3333 0.5774 0.5811 ( 14358 PWs) bands (ev): -0.1760 -0.1760 -0.1721 -0.1721 -0.0212 -0.0212 0.4618 0.4618 0.5718 0.5718 0.5758 0.5758 1.5992 1.5992 2.3359 2.3359 5.0560 5.0560 5.0988 5.0988 5.5405 5.5405 5.5982 5.5982 5.7632 5.7632 6.2554 6.2554 6.6595 6.6595 6.6730 6.6730 6.8502 6.8502 6.8954 6.8954 6.9876 6.9876 7.1235 7.1235 7.1262 7.1262 7.2998 7.2998 7.4219 7.4219 7.7524 7.7524 7.8072 7.8072 8.1762 8.1762 8.6930 8.6930 8.6950 8.6950 8.8242 8.8242 8.8434 8.8434 9.0432 9.0432 9.5307 9.5307 9.6252 9.6252 9.6459 9.6459 9.8151 9.8151 10.0852 10.0852 10.0997 10.0997 10.5014 10.5014 10.9056 10.9056 10.9659 10.9659 11.0069 11.0069 11.2180 11.2180 11.3699 11.3699 11.3794 11.3794 11.5575 11.5575 11.5936 11.5936 11.6014 11.6014 k = 0.3333 0.5774 0.6075 ( 14358 PWs) bands (ev): -0.1272 -0.1272 -0.1234 -0.1234 0.0179 0.0179 0.4398 0.4398 0.5182 0.5182 0.5221 0.5221 1.6270 1.6270 2.2632 2.2632 5.0827 5.0827 5.1269 5.1269 5.5130 5.5130 5.5707 5.5707 5.7889 5.7889 6.2284 6.2284 6.6716 6.6716 6.6892 6.6892 6.8332 6.8332 6.8815 6.8815 7.0016 7.0016 7.1391 7.1391 7.1406 7.1406 7.2925 7.2925 7.4803 7.4803 7.7030 7.7030 7.7593 7.7593 8.1632 8.1632 8.7237 8.7237 8.7273 8.7273 8.8652 8.8652 8.8813 8.8813 9.1271 9.1271 9.5643 9.5643 9.6279 9.6279 9.6430 9.6430 9.8216 9.8216 10.0786 10.0786 10.0950 10.0950 10.4236 10.4236 10.9411 10.9411 11.0242 11.0242 11.0390 11.0390 11.2335 11.2335 11.3934 11.3934 11.4119 11.4119 11.5112 11.5112 11.6348 11.6348 11.6463 11.6463 k = 0.3333 0.5774 0.6339 ( 14358 PWs) bands (ev): -0.0772 -0.0772 -0.0734 -0.0734 0.0574 0.0574 0.4147 0.4147 0.4639 0.4639 0.4678 0.4678 1.6593 1.6593 2.1930 2.1930 5.1125 5.1125 5.1581 5.1581 5.4819 5.4819 5.5392 5.5392 5.8175 5.8175 6.1956 6.1956 6.6827 6.6827 6.7036 6.7036 6.8168 6.8168 6.8655 6.8655 7.0169 7.0169 7.1488 7.1488 7.1678 7.1678 7.2942 7.2942 7.5439 7.5439 7.6520 7.6520 7.7098 7.7098 8.1376 8.1376 8.7526 8.7526 8.7574 8.7574 8.8969 8.8969 8.9084 8.9084 9.2191 9.2191 9.5975 9.5975 9.6429 9.6429 9.6520 9.6520 9.8224 9.8224 10.0607 10.0607 10.0780 10.0780 10.3301 10.3301 10.9536 10.9536 11.0844 11.0844 11.1102 11.1102 11.2569 11.2569 11.3940 11.3940 11.4484 11.4484 11.4886 11.4886 11.6754 11.6754 11.6893 11.6893 k = 0.3333 0.5774 0.6603 ( 14349 PWs) bands (ev): -0.0259 -0.0259 -0.0221 -0.0221 0.0970 0.0970 0.3866 0.3866 0.4090 0.4090 0.4130 0.4130 1.6961 1.6961 2.1253 2.1253 5.1452 5.1452 5.1921 5.1921 5.4479 5.4479 5.5045 5.5045 5.8489 5.8489 6.1588 6.1588 6.6934 6.6934 6.7172 6.7172 6.8007 6.8007 6.8481 6.8481 7.0331 7.0331 7.1510 7.1510 7.2029 7.2029 7.3087 7.3087 7.5998 7.5998 7.6107 7.6107 7.6594 7.6594 8.1013 8.1013 8.7806 8.7806 8.7862 8.7862 8.9164 8.9164 8.9230 8.9230 9.3180 9.3180 9.6301 9.6301 9.6706 9.6706 9.6735 9.6735 9.8178 9.8178 10.0324 10.0324 10.0500 10.0500 10.2260 10.2260 10.9734 10.9734 11.1501 11.1501 11.1778 11.1778 11.2857 11.2857 11.3599 11.3599 11.4834 11.4834 11.4981 11.4981 11.7066 11.7066 11.7223 11.7223 k = 0.3333 0.5774 0.6867 ( 14358 PWs) bands (ev): 0.0264 0.0264 0.0302 0.0302 0.1366 0.1366 0.3538 0.3538 0.3545 0.3545 0.3592 0.3592 1.7370 1.7370 2.0603 2.0603 5.1802 5.1802 5.2284 5.2284 5.4114 5.4114 5.4672 5.4672 5.8829 5.8829 6.1195 6.1195 6.7043 6.7043 6.7310 6.7310 6.7851 6.7851 6.8301 6.8301 7.0500 7.0500 7.1451 7.1451 7.2441 7.2441 7.3355 7.3355 7.5470 7.5470 7.6085 7.6085 7.6793 7.6793 8.0560 8.0560 8.8082 8.8082 8.8142 8.8142 8.9235 8.9235 8.9257 8.9257 9.4224 9.4224 9.6616 9.6616 9.7061 9.7061 9.7094 9.7094 9.8084 9.8084 9.9949 9.9949 10.0125 10.0125 10.1161 10.1161 11.0035 11.0035 11.2131 11.2131 11.2412 11.2412 11.2888 11.2888 11.3457 11.3457 11.5008 11.5008 11.5018 11.5018 11.7048 11.7048 11.7511 11.7512 k = 0.3333 0.5774 0.7131 ( 14355 PWs) bands (ev): 0.0796 0.0796 0.0833 0.0833 0.1758 0.1758 0.2985 0.2985 0.3020 0.3020 0.3234 0.3234 1.7820 1.7820 1.9982 1.9982 5.2171 5.2171 5.2667 5.2667 5.3733 5.3733 5.4280 5.4280 5.9192 5.9192 6.0788 6.0788 6.7159 6.7159 6.7454 6.7454 6.7699 6.7699 6.8119 6.8119 7.0675 7.0675 7.1335 7.1335 7.2896 7.2896 7.3716 7.3716 7.4939 7.4939 7.5578 7.5578 7.7482 7.7482 8.0034 8.0034 8.8349 8.8349 8.8411 8.8411 8.9185 8.9185 8.9197 8.9197 9.5306 9.5306 9.6917 9.6917 9.7451 9.7451 9.7566 9.7566 9.7966 9.7966 9.9485 9.9485 9.9675 9.9675 10.0055 10.0055 11.0417 11.0417 11.2392 11.2392 11.2759 11.2759 11.3009 11.3009 11.3859 11.3859 11.4786 11.4786 11.4911 11.4911 11.6354 11.6354 11.7968 11.7968 k = 0.3333 0.5774 0.7395 ( 14367 PWs) bands (ev): 0.1336 0.1336 0.1373 0.1373 0.2143 0.2143 0.2432 0.2432 0.2468 0.2468 0.2884 0.2884 1.8308 1.8308 1.9391 1.9391 5.2554 5.2554 5.3064 5.3064 5.3342 5.3342 5.3877 5.3877 5.9574 5.9574 6.0378 6.0378 6.7282 6.7282 6.7553 6.7553 6.7608 6.7608 6.7942 6.7942 7.0850 7.0850 7.1187 7.1187 7.3382 7.3382 7.4136 7.4136 7.4410 7.4410 7.5079 7.5079 7.8163 7.8163 7.9450 7.9450 8.8605 8.8605 8.8664 8.8664 8.9038 8.9038 8.9074 8.9074 9.6402 9.6402 9.7195 9.7195 9.7639 9.7639 9.8047 9.8047 9.8089 9.8089 9.8792 9.8792 9.9161 9.9161 9.9170 9.9170 11.0863 11.0863 11.1873 11.1873 11.3323 11.3323 11.3574 11.3574 11.4315 11.4315 11.4454 11.4454 11.4569 11.4569 11.5655 11.5655 11.8575 11.8582 k = 0.3333 0.5774 0.7660 ( 14352 PWs) bands (ev): 0.1882 0.1882 0.1882 0.1882 0.1919 0.1919 0.1919 0.1919 0.2520 0.2520 0.2520 0.2520 1.8833 1.8833 1.8833 1.8833 5.2947 5.2947 5.2947 5.2947 5.3469 5.3469 5.3469 5.3469 5.9971 5.9971 5.9971 5.9971 6.7413 6.7413 6.7413 6.7413 6.7770 6.7770 6.7770 6.7770 7.1023 7.1023 7.1023 7.1023 7.3889 7.3889 7.3889 7.3889 7.4595 7.4595 7.4595 7.4595 7.8823 7.8823 7.8823 7.8823 8.8838 8.8838 8.8838 8.8838 8.8890 8.8890 8.8890 8.8890 9.7286 9.7286 9.7286 9.7286 9.7719 9.7719 9.7719 9.7719 9.8622 9.8622 9.8622 9.8622 9.8633 9.8633 9.8633 9.8633 11.1353 11.1353 11.1353 11.1353 11.3868 11.3868 11.3868 11.3868 11.4102 11.4102 11.4102 11.4102 11.5001 11.5001 11.5001 11.5001 11.9128 11.9130 Writing output data file Zr5SiSb3.save init_run : 0.66s CPU 0.79s WALL ( 1 calls) electrons : 2633.08s CPU 2646.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 2633.08s CPU 2646.14s 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 : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.16s WALL ( 216 calls) cegterg : 2479.08s CPU 2490.53s WALL ( 1032 calls) Called by sum_band: Called by *egterg: h_psi : 1378.60s CPU 1388.15s WALL ( 20365 calls) s_psi : 66.71s CPU 67.08s WALL ( 20365 calls) g_psi : 1.10s CPU 1.17s WALL ( 19117 calls) cdiaghg : 983.20s CPU 985.59s WALL ( 19333 calls) cegterg:over : 83.76s CPU 83.70s WALL ( 19117 calls) cegterg:upda : 53.57s CPU 53.57s WALL ( 19117 calls) cegterg:last : 27.04s CPU 27.13s WALL ( 2111 calls) cdiaghg:chol : 33.24s CPU 33.35s WALL ( 19333 calls) cdiaghg:inve : 26.74s CPU 27.01s WALL ( 19333 calls) cdiaghg:para : 83.92s CPU 84.11s WALL ( 38666 calls) Called by h_psi: h_psi:vloc : 1228.57s CPU 1238.05s WALL ( 20365 calls) h_psi:vnl : 148.43s CPU 148.44s WALL ( 20365 calls) add_vuspsi : 69.90s CPU 69.83s WALL ( 20365 calls) General routines calbec : 78.43s CPU 78.53s WALL ( 20365 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 1208.38s CPU 1217.65s WALL ( 2378520 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.64s WALL ( 432 calls) Parallel routines fft_scatter : 956.86s CPU 964.20s WALL ( 2378543 calls) PWSCF : 45m24.83s CPU 46m 1.84s WALL This run was terminated on: 10:22:32 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=