Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:36:19 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: ./Zr5Sb3.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 58 48 13 2084 1554 229 Max 59 49 14 2089 1574 234 Sum 4243 3481 967 150263 112705 16579 bravais-lattice index = 14 lattice parameter (alat) = 15.9153 a.u. unit-cell volume = 2361.1718 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 70.00 number of Kohn-Sham states= 84 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)= 15.915272 celldm(2)= 1.000000 celldm(3)= 0.676324 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 0.676324 ) 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 1.478581 ) 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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 ) ( 0.3381620 ) 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= 213 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0046948 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0046948 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0046948 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0046948 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0046948 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0046948 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0046948 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0046948 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0046948 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0046948 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0046948 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0046948 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0046948 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0046948 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0046948 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0046948 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0046948 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0046948 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0046948 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0046948 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0046948 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0046948 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0046948 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0046948 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0046948 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0046948 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0046948 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0046948 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0046948 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0046948 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0046948 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0046948 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0046948 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 39) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0046948 k( 40) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0046948 k( 41) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0046948 k( 42) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0046948 k( 43) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0046948 k( 44) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0046948 k( 45) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0046948 k( 46) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0046948 k( 47) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0046948 k( 48) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0046948 k( 49) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0046948 k( 50) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0046948 k( 51) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0046948 k( 52) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0046948 k( 53) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0046948 k( 54) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0046948 k( 55) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0046948 k( 56) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0046948 k( 57) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0046948 k( 58) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0046948 k( 59) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0046948 k( 60) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0046948 k( 61) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0046948 k( 62) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0046948 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 65) = ( 0.0000000 0.0000000 0.0264032), wk = 0.0046948 k( 66) = ( 0.0000000 0.0000000 0.0528065), wk = 0.0046948 k( 67) = ( 0.0000000 0.0000000 0.0792097), wk = 0.0046948 k( 68) = ( 0.0000000 0.0000000 0.1056130), wk = 0.0046948 k( 69) = ( 0.0000000 0.0000000 0.1320162), wk = 0.0046948 k( 70) = ( 0.0000000 0.0000000 0.1584194), wk = 0.0046948 k( 71) = ( 0.0000000 0.0000000 0.1848227), wk = 0.0046948 k( 72) = ( 0.0000000 0.0000000 0.2112259), wk = 0.0046948 k( 73) = ( 0.0000000 0.0000000 0.2376292), wk = 0.0046948 k( 74) = ( 0.0000000 0.0000000 0.2640324), wk = 0.0046948 k( 75) = ( 0.0000000 0.0000000 0.2904356), wk = 0.0046948 k( 76) = ( 0.0000000 0.0000000 0.3168389), wk = 0.0046948 k( 77) = ( 0.0000000 0.0000000 0.3432421), wk = 0.0046948 k( 78) = ( 0.0000000 0.0000000 0.3696454), wk = 0.0046948 k( 79) = ( 0.0000000 0.0000000 0.3960486), wk = 0.0046948 k( 80) = ( 0.0000000 0.0000000 0.4224519), wk = 0.0046948 k( 81) = ( 0.0000000 0.0000000 0.4488551), wk = 0.0046948 k( 82) = ( 0.0000000 0.0000000 0.4752583), wk = 0.0046948 k( 83) = ( 0.0000000 0.0000000 0.5016616), wk = 0.0046948 k( 84) = ( 0.0000000 0.0000000 0.5280648), wk = 0.0046948 k( 85) = ( 0.0000000 0.0000000 0.5544680), wk = 0.0046948 k( 86) = ( 0.0000000 0.0000000 0.5808713), wk = 0.0046948 k( 87) = ( 0.0000000 0.0000000 0.6072745), wk = 0.0046948 k( 88) = ( 0.0000000 0.0000000 0.6336778), wk = 0.0046948 k( 89) = ( 0.0000000 0.0000000 0.6600810), wk = 0.0046948 k( 90) = ( 0.0000000 0.0000000 0.6864842), wk = 0.0046948 k( 91) = ( 0.0000000 0.0000000 0.7128875), wk = 0.0046948 k( 92) = ( 0.0000000 0.0000000 0.7392907), wk = 0.0046948 k( 93) = ( 0.0000000 0.0000000 0.7392907), wk = 0.0046948 k( 94) = ( 0.0227273 0.0131216 0.7392907), wk = 0.0046948 k( 95) = ( 0.0454546 0.0262432 0.7392907), wk = 0.0046948 k( 96) = ( 0.0681818 0.0393648 0.7392907), wk = 0.0046948 k( 97) = ( 0.0909091 0.0524864 0.7392907), wk = 0.0046948 k( 98) = ( 0.1136364 0.0656080 0.7392907), wk = 0.0046948 k( 99) = ( 0.1363636 0.0787296 0.7392907), wk = 0.0046948 k( 100) = ( 0.1590909 0.0918512 0.7392907), wk = 0.0046948 k( 101) = ( 0.1818182 0.1049728 0.7392907), wk = 0.0046948 k( 102) = ( 0.2045454 0.1180944 0.7392907), wk = 0.0046948 k( 103) = ( 0.2272727 0.1312160 0.7392907), wk = 0.0046948 k( 104) = ( 0.2500000 0.1443376 0.7392907), wk = 0.0046948 k( 105) = ( 0.2727273 0.1574592 0.7392907), wk = 0.0046948 k( 106) = ( 0.2954545 0.1705808 0.7392907), wk = 0.0046948 k( 107) = ( 0.3181818 0.1837024 0.7392907), wk = 0.0046948 k( 108) = ( 0.3409091 0.1968240 0.7392907), wk = 0.0046948 k( 109) = ( 0.3636364 0.2099456 0.7392907), wk = 0.0046948 k( 110) = ( 0.3863636 0.2230672 0.7392907), wk = 0.0046948 k( 111) = ( 0.4090909 0.2361887 0.7392907), wk = 0.0046948 k( 112) = ( 0.4318182 0.2493103 0.7392907), wk = 0.0046948 k( 113) = ( 0.4545455 0.2624319 0.7392907), wk = 0.0046948 k( 114) = ( 0.4772727 0.2755535 0.7392907), wk = 0.0046948 k( 115) = ( 0.5000000 0.2886751 0.7392907), wk = 0.0046948 k( 116) = ( 0.5000000 0.2886751 0.7392907), wk = 0.0046948 k( 117) = ( 0.4871795 0.3108809 0.7392907), wk = 0.0046948 k( 118) = ( 0.4743590 0.3330867 0.7392907), wk = 0.0046948 k( 119) = ( 0.4615385 0.3552925 0.7392907), wk = 0.0046948 k( 120) = ( 0.4487179 0.3774983 0.7392907), wk = 0.0046948 k( 121) = ( 0.4358974 0.3997040 0.7392907), wk = 0.0046948 k( 122) = ( 0.4230769 0.4219098 0.7392907), wk = 0.0046948 k( 123) = ( 0.4102564 0.4441156 0.7392907), wk = 0.0046948 k( 124) = ( 0.3974359 0.4663214 0.7392907), wk = 0.0046948 k( 125) = ( 0.3846154 0.4885271 0.7392907), wk = 0.0046948 k( 126) = ( 0.3717949 0.5107329 0.7392907), wk = 0.0046948 k( 127) = ( 0.3589744 0.5329387 0.7392907), wk = 0.0046948 k( 128) = ( 0.3461538 0.5551445 0.7392907), wk = 0.0046948 k( 129) = ( 0.3333333 0.5773503 0.7392907), wk = 0.0046948 k( 130) = ( 0.3333333 0.5773503 0.7392907), wk = 0.0046948 k( 131) = ( 0.3200000 0.5542563 0.7392907), wk = 0.0046948 k( 132) = ( 0.3066667 0.5311623 0.7392907), wk = 0.0046948 k( 133) = ( 0.2933333 0.5080682 0.7392907), wk = 0.0046948 k( 134) = ( 0.2800000 0.4849742 0.7392907), wk = 0.0046948 k( 135) = ( 0.2666667 0.4618802 0.7392907), wk = 0.0046948 k( 136) = ( 0.2533333 0.4387862 0.7392907), wk = 0.0046948 k( 137) = ( 0.2400000 0.4156922 0.7392907), wk = 0.0046948 k( 138) = ( 0.2266667 0.3925982 0.7392907), wk = 0.0046948 k( 139) = ( 0.2133333 0.3695042 0.7392907), wk = 0.0046948 k( 140) = ( 0.2000000 0.3464102 0.7392907), wk = 0.0046948 k( 141) = ( 0.1866667 0.3233162 0.7392907), wk = 0.0046948 k( 142) = ( 0.1733333 0.3002221 0.7392907), wk = 0.0046948 k( 143) = ( 0.1600000 0.2771281 0.7392907), wk = 0.0046948 k( 144) = ( 0.1466667 0.2540341 0.7392907), wk = 0.0046948 k( 145) = ( 0.1333333 0.2309401 0.7392907), wk = 0.0046948 k( 146) = ( 0.1200000 0.2078461 0.7392907), wk = 0.0046948 k( 147) = ( 0.1066667 0.1847521 0.7392907), wk = 0.0046948 k( 148) = ( 0.0933333 0.1616581 0.7392907), wk = 0.0046948 k( 149) = ( 0.0800000 0.1385641 0.7392907), wk = 0.0046948 k( 150) = ( 0.0666667 0.1154701 0.7392907), wk = 0.0046948 k( 151) = ( 0.0533333 0.0923760 0.7392907), wk = 0.0046948 k( 152) = ( 0.0400000 0.0692820 0.7392907), wk = 0.0046948 k( 153) = ( 0.0266667 0.0461880 0.7392907), wk = 0.0046948 k( 154) = ( 0.0133333 0.0230940 0.7392907), wk = 0.0046948 k( 155) = ( 0.0000000 0.0000000 0.7392907), wk = 0.0046948 k( 156) = ( 0.5000000 0.2886751 0.7392907), wk = 0.0046948 k( 157) = ( 0.5000000 0.2886751 0.7128875), wk = 0.0046948 k( 158) = ( 0.5000000 0.2886751 0.6864842), wk = 0.0046948 k( 159) = ( 0.5000000 0.2886751 0.6600810), wk = 0.0046948 k( 160) = ( 0.5000000 0.2886751 0.6336778), wk = 0.0046948 k( 161) = ( 0.5000000 0.2886751 0.6072745), wk = 0.0046948 k( 162) = ( 0.5000000 0.2886751 0.5808713), wk = 0.0046948 k( 163) = ( 0.5000000 0.2886751 0.5544680), wk = 0.0046948 k( 164) = ( 0.5000000 0.2886751 0.5280648), wk = 0.0046948 k( 165) = ( 0.5000000 0.2886751 0.5016616), wk = 0.0046948 k( 166) = ( 0.5000000 0.2886751 0.4752583), wk = 0.0046948 k( 167) = ( 0.5000000 0.2886751 0.4488551), wk = 0.0046948 k( 168) = ( 0.5000000 0.2886751 0.4224519), wk = 0.0046948 k( 169) = ( 0.5000000 0.2886751 0.3960486), wk = 0.0046948 k( 170) = ( 0.5000000 0.2886751 0.3696454), wk = 0.0046948 k( 171) = ( 0.5000000 0.2886751 0.3432421), wk = 0.0046948 k( 172) = ( 0.5000000 0.2886751 0.3168389), wk = 0.0046948 k( 173) = ( 0.5000000 0.2886751 0.2904356), wk = 0.0046948 k( 174) = ( 0.5000000 0.2886751 0.2640324), wk = 0.0046948 k( 175) = ( 0.5000000 0.2886751 0.2376292), wk = 0.0046948 k( 176) = ( 0.5000000 0.2886751 0.2112259), wk = 0.0046948 k( 177) = ( 0.5000000 0.2886751 0.1848227), wk = 0.0046948 k( 178) = ( 0.5000000 0.2886751 0.1584194), wk = 0.0046948 k( 179) = ( 0.5000000 0.2886751 0.1320162), wk = 0.0046948 k( 180) = ( 0.5000000 0.2886751 0.1056130), wk = 0.0046948 k( 181) = ( 0.5000000 0.2886751 0.0792097), wk = 0.0046948 k( 182) = ( 0.5000000 0.2886751 0.0528065), wk = 0.0046948 k( 183) = ( 0.5000000 0.2886751 0.0264032), wk = 0.0046948 k( 184) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 185) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 186) = ( 0.3333333 0.5773503 0.0264032), wk = 0.0046948 k( 187) = ( 0.3333333 0.5773503 0.0528065), wk = 0.0046948 k( 188) = ( 0.3333333 0.5773503 0.0792097), wk = 0.0046948 k( 189) = ( 0.3333333 0.5773503 0.1056130), wk = 0.0046948 k( 190) = ( 0.3333333 0.5773503 0.1320162), wk = 0.0046948 k( 191) = ( 0.3333333 0.5773503 0.1584194), wk = 0.0046948 k( 192) = ( 0.3333333 0.5773503 0.1848227), wk = 0.0046948 k( 193) = ( 0.3333333 0.5773503 0.2112259), wk = 0.0046948 k( 194) = ( 0.3333333 0.5773503 0.2376292), wk = 0.0046948 k( 195) = ( 0.3333333 0.5773503 0.2640324), wk = 0.0046948 k( 196) = ( 0.3333333 0.5773503 0.2904356), wk = 0.0046948 k( 197) = ( 0.3333333 0.5773503 0.3168389), wk = 0.0046948 k( 198) = ( 0.3333333 0.5773503 0.3432421), wk = 0.0046948 k( 199) = ( 0.3333333 0.5773503 0.3696454), wk = 0.0046948 k( 200) = ( 0.3333333 0.5773503 0.3960486), wk = 0.0046948 k( 201) = ( 0.3333333 0.5773503 0.4224519), wk = 0.0046948 k( 202) = ( 0.3333333 0.5773503 0.4488551), wk = 0.0046948 k( 203) = ( 0.3333333 0.5773503 0.4752583), wk = 0.0046948 k( 204) = ( 0.3333333 0.5773503 0.5016616), wk = 0.0046948 k( 205) = ( 0.3333333 0.5773503 0.5280648), wk = 0.0046948 k( 206) = ( 0.3333333 0.5773503 0.5544680), wk = 0.0046948 k( 207) = ( 0.3333333 0.5773503 0.5808713), wk = 0.0046948 k( 208) = ( 0.3333333 0.5773503 0.6072745), wk = 0.0046948 k( 209) = ( 0.3333333 0.5773503 0.6336778), wk = 0.0046948 k( 210) = ( 0.3333333 0.5773503 0.6600810), wk = 0.0046948 k( 211) = ( 0.3333333 0.5773503 0.6864842), wk = 0.0046948 k( 212) = ( 0.3333333 0.5773503 0.7128875), wk = 0.0046948 k( 213) = ( 0.3333333 0.5773503 0.7392907), wk = 0.0046948 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 2) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0046948 k( 3) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0046948 k( 4) = ( 0.0681818 -0.0000000 0.0000000), wk = 0.0046948 k( 5) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0046948 k( 6) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0046948 k( 7) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0046948 k( 8) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0046948 k( 9) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0046948 k( 10) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0046948 k( 11) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0046948 k( 12) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0046948 k( 13) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0046948 k( 14) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0046948 k( 15) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0046948 k( 16) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0046948 k( 17) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0046948 k( 18) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0046948 k( 19) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0046948 k( 20) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0046948 k( 21) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0046948 k( 22) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0046948 k( 23) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046948 k( 24) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046948 k( 25) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0046948 k( 26) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0046948 k( 27) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0046948 k( 28) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0046948 k( 29) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0046948 k( 30) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0046948 k( 31) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0046948 k( 32) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0046948 k( 33) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0046948 k( 34) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0046948 k( 35) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0046948 k( 36) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0046948 k( 37) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046948 k( 38) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046948 k( 39) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0046948 k( 40) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0046948 k( 41) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0046948 k( 42) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0046948 k( 43) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0046948 k( 44) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0046948 k( 45) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0046948 k( 46) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0046948 k( 47) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0046948 k( 48) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0046948 k( 49) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0046948 k( 50) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0046948 k( 51) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0046948 k( 52) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0046948 k( 53) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0046948 k( 54) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0046948 k( 55) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0046948 k( 56) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0046948 k( 57) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0046948 k( 58) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0046948 k( 59) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0046948 k( 60) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0046948 k( 61) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0046948 k( 62) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0046948 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 65) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0046948 k( 66) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0046948 k( 67) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0046948 k( 68) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0046948 k( 69) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0046948 k( 70) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0046948 k( 71) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0046948 k( 72) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0046948 k( 73) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0046948 k( 74) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0046948 k( 75) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0046948 k( 76) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0046948 k( 77) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0046948 k( 78) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0046948 k( 79) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0046948 k( 80) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0046948 k( 81) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0046948 k( 82) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0046948 k( 83) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0046948 k( 84) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0046948 k( 85) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0046948 k( 86) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0046948 k( 87) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0046948 k( 88) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0046948 k( 89) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0046948 k( 90) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0046948 k( 91) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0046948 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 94) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0046948 k( 95) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0046948 k( 96) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0046948 k( 97) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0046948 k( 98) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0046948 k( 99) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0046948 k( 100) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0046948 k( 101) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0046948 k( 102) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0046948 k( 103) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0046948 k( 104) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0046948 k( 105) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0046948 k( 106) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0046948 k( 107) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0046948 k( 108) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0046948 k( 109) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0046948 k( 110) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0046948 k( 111) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0046948 k( 112) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0046948 k( 113) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0046948 k( 114) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0046948 k( 115) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046948 k( 116) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046948 k( 117) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0046948 k( 118) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0046948 k( 119) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0046948 k( 120) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0046948 k( 121) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0046948 k( 122) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0046948 k( 123) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0046948 k( 124) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0046948 k( 125) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0046948 k( 126) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0046948 k( 127) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0046948 k( 128) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0046948 k( 129) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 k( 130) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 k( 131) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0046948 k( 132) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0046948 k( 133) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0046948 k( 134) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0046948 k( 135) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0046948 k( 136) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0046948 k( 137) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0046948 k( 138) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0046948 k( 139) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0046948 k( 140) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0046948 k( 141) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0046948 k( 142) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0046948 k( 143) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0046948 k( 144) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0046948 k( 145) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0046948 k( 146) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0046948 k( 147) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0046948 k( 148) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0046948 k( 149) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0046948 k( 150) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0046948 k( 151) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0046948 k( 152) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0046948 k( 153) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0046948 k( 154) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0046948 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 156) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046948 k( 157) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0046948 k( 158) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0046948 k( 159) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0046948 k( 160) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0046948 k( 161) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0046948 k( 162) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0046948 k( 163) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0046948 k( 164) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0046948 k( 165) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0046948 k( 166) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0046948 k( 167) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0046948 k( 168) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0046948 k( 169) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0046948 k( 170) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0046948 k( 171) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0046948 k( 172) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0046948 k( 173) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0046948 k( 174) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0046948 k( 175) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0046948 k( 176) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0046948 k( 177) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0046948 k( 178) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0046948 k( 179) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0046948 k( 180) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0046948 k( 181) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0046948 k( 182) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0046948 k( 183) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0046948 k( 184) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046948 k( 185) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046948 k( 186) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0046948 k( 187) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0046948 k( 188) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0046948 k( 189) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0046948 k( 190) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0046948 k( 191) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0046948 k( 192) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0046948 k( 193) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0046948 k( 194) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0046948 k( 195) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0046948 k( 196) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0046948 k( 197) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0046948 k( 198) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0046948 k( 199) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0046948 k( 200) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0046948 k( 201) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0046948 k( 202) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0046948 k( 203) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0046948 k( 204) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0046948 k( 205) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0046948 k( 206) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0046948 k( 207) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0046948 k( 208) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0046948 k( 209) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0046948 k( 210) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0046948 k( 211) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0046948 k( 212) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0046948 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 Dense grid: 150263 G-vectors FFT dimensions: ( 80, 80, 54) Smooth grid: 112705 G-vectors FFT dimensions: ( 72, 72, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.51 Mb ( 398, 84) NL pseudopotentials 1.11 Mb ( 199, 364) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2089) G-vector shells 0.01 Mb ( 1074) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.04 Mb ( 398, 336) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.93 Mb ( 364, 2, 84) The potential is recalculated from file : ./Zr5Sb3.save/charge-density.dat Starting wfc are 228 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 8.9 secs Computing kpt #: 2 total cpu time spent up to now is 17.0 secs Computing kpt #: 3 total cpu time spent up to now is 24.1 secs Computing kpt #: 4 total cpu time spent up to now is 33.9 secs Computing kpt #: 5 total cpu time spent up to now is 41.9 secs Computing kpt #: 6 total cpu time spent up to now is 50.4 secs Computing kpt #: 7 total cpu time spent up to now is 60.2 secs Computing kpt #: 8 total cpu time spent up to now is 68.9 secs Computing kpt #: 9 total cpu time spent up to now is 78.3 secs Computing kpt #: 10 total cpu time spent up to now is 87.7 secs Computing kpt #: 11 total cpu time spent up to now is 98.0 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.6 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.9 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.1 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.9 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.6 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.3 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.9 secs Computing kpt #: 19 total cpu time spent up to now is 184.3 secs Computing kpt #: 20 total cpu time spent up to now is 192.0 secs Computing kpt #: 21 total cpu time spent up to now is 199.1 secs Computing kpt #: 22 total cpu time spent up to now is 205.7 secs Computing kpt #: 23 total cpu time spent up to now is 212.5 secs Computing kpt #: 24 total cpu time spent up to now is 218.5 secs Computing kpt #: 25 total cpu time spent up to now is 226.2 secs Computing kpt #: 26 total cpu time spent up to now is 233.3 secs Computing kpt #: 27 total cpu time spent up to now is 240.4 secs Computing kpt #: 28 total cpu time spent up to now is 246.8 secs Computing kpt #: 29 total cpu time spent up to now is 253.7 secs Computing kpt #: 30 total cpu time spent up to now is 260.9 secs Computing kpt #: 31 total cpu time spent up to now is 267.3 secs Computing kpt #: 32 total cpu time spent up to now is 274.6 secs Computing kpt #: 33 total cpu time spent up to now is 282.2 secs Computing kpt #: 34 total cpu time spent up to now is 288.9 secs Computing kpt #: 35 total cpu time spent up to now is 295.5 secs Computing kpt #: 36 total cpu time spent up to now is 302.9 secs Computing kpt #: 37 total cpu time spent up to now is 309.6 secs Computing kpt #: 38 total cpu time spent up to now is 315.8 secs Computing kpt #: 39 total cpu time spent up to now is 322.3 secs Computing kpt #: 40 total cpu time spent up to now is 328.9 secs Computing kpt #: 41 total cpu time spent up to now is 336.5 secs Computing kpt #: 42 total cpu time spent up to now is 342.1 secs Computing kpt #: 43 total cpu time spent up to now is 349.1 secs Computing kpt #: 44 total cpu time spent up to now is 356.1 secs Computing kpt #: 45 total cpu time spent up to now is 363.3 secs Computing kpt #: 46 total cpu time spent up to now is 371.4 secs Computing kpt #: 47 total cpu time spent up to now is 381.4 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.3 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.9 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.6 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.3 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 437.6 secs Computing kpt #: 53 total cpu time spent up to now is 447.1 secs Computing kpt #: 54 total cpu time spent up to now is 455.9 secs Computing kpt #: 55 total cpu time spent up to now is 466.3 secs Computing kpt #: 56 total cpu time spent up to now is 475.7 secs Computing kpt #: 57 total cpu time spent up to now is 485.3 secs Computing kpt #: 58 total cpu time spent up to now is 495.0 secs Computing kpt #: 59 total cpu time spent up to now is 504.4 secs Computing kpt #: 60 total cpu time spent up to now is 513.6 secs Computing kpt #: 61 total cpu time spent up to now is 521.3 secs Computing kpt #: 62 total cpu time spent up to now is 531.8 secs Computing kpt #: 63 total cpu time spent up to now is 539.2 secs Computing kpt #: 64 total cpu time spent up to now is 545.8 secs Computing kpt #: 65 total cpu time spent up to now is 554.1 secs Computing kpt #: 66 total cpu time spent up to now is 563.7 secs Computing kpt #: 67 total cpu time spent up to now is 572.2 secs Computing kpt #: 68 total cpu time spent up to now is 581.9 secs Computing kpt #: 69 total cpu time spent up to now is 591.6 secs Computing kpt #: 70 total cpu time spent up to now is 600.9 secs Computing kpt #: 71 total cpu time spent up to now is 610.7 secs Computing kpt #: 72 total cpu time spent up to now is 618.1 secs Computing kpt #: 73 total cpu time spent up to now is 626.0 secs Computing kpt #: 74 total cpu time spent up to now is 634.8 secs Computing kpt #: 75 total cpu time spent up to now is 643.3 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.5 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 667.5 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 678.9 secs Computing kpt #: 79 total cpu time spent up to now is 688.3 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 700.0 secs Computing kpt #: 81 total cpu time spent up to now is 710.1 secs Computing kpt #: 82 total cpu time spent up to now is 719.5 secs Computing kpt #: 83 total cpu time spent up to now is 728.1 secs Computing kpt #: 84 total cpu time spent up to now is 737.1 secs Computing kpt #: 85 total cpu time spent up to now is 744.6 secs Computing kpt #: 86 total cpu time spent up to now is 751.8 secs Computing kpt #: 87 total cpu time spent up to now is 760.0 secs Computing kpt #: 88 total cpu time spent up to now is 768.0 secs Computing kpt #: 89 total cpu time spent up to now is 775.5 secs Computing kpt #: 90 total cpu time spent up to now is 784.2 secs Computing kpt #: 91 total cpu time spent up to now is 792.4 secs Computing kpt #: 92 total cpu time spent up to now is 799.6 secs Computing kpt #: 93 total cpu time spent up to now is 807.9 secs Computing kpt #: 94 total cpu time spent up to now is 816.2 secs Computing kpt #: 95 total cpu time spent up to now is 823.6 secs Computing kpt #: 96 total cpu time spent up to now is 831.7 secs Computing kpt #: 97 total cpu time spent up to now is 840.1 secs Computing kpt #: 98 total cpu time spent up to now is 847.4 secs Computing kpt #: 99 total cpu time spent up to now is 855.1 secs Computing kpt #: 100 total cpu time spent up to now is 863.9 secs Computing kpt #: 101 total cpu time spent up to now is 870.8 secs Computing kpt #: 102 total cpu time spent up to now is 878.0 secs Computing kpt #: 103 total cpu time spent up to now is 886.2 secs Computing kpt #: 104 total cpu time spent up to now is 893.8 secs Computing kpt #: 105 total cpu time spent up to now is 900.8 secs Computing kpt #: 106 total cpu time spent up to now is 908.0 secs Computing kpt #: 107 total cpu time spent up to now is 916.0 secs Computing kpt #: 108 total cpu time spent up to now is 922.9 secs Computing kpt #: 109 total cpu time spent up to now is 929.8 secs Computing kpt #: 110 total cpu time spent up to now is 937.2 secs Computing kpt #: 111 total cpu time spent up to now is 944.4 secs Computing kpt #: 112 total cpu time spent up to now is 950.9 secs Computing kpt #: 113 total cpu time spent up to now is 958.2 secs Computing kpt #: 114 total cpu time spent up to now is 965.1 secs Computing kpt #: 115 total cpu time spent up to now is 972.2 secs Computing kpt #: 116 total cpu time spent up to now is 979.1 secs Computing kpt #: 117 total cpu time spent up to now is 986.1 secs Computing kpt #: 118 total cpu time spent up to now is 993.1 secs Computing kpt #: 119 total cpu time spent up to now is 1000.3 secs Computing kpt #: 120 total cpu time spent up to now is 1007.3 secs Computing kpt #: 121 total cpu time spent up to now is 1014.2 secs Computing kpt #: 122 total cpu time spent up to now is 1021.1 secs Computing kpt #: 123 total cpu time spent up to now is 1028.1 secs Computing kpt #: 124 total cpu time spent up to now is 1035.4 secs Computing kpt #: 125 total cpu time spent up to now is 1043.2 secs Computing kpt #: 126 total cpu time spent up to now is 1051.0 secs Computing kpt #: 127 total cpu time spent up to now is 1059.0 secs Computing kpt #: 128 total cpu time spent up to now is 1067.5 secs Computing kpt #: 129 total cpu time spent up to now is 1076.5 secs Computing kpt #: 130 total cpu time spent up to now is 1084.7 secs Computing kpt #: 131 total cpu time spent up to now is 1093.9 secs Computing kpt #: 132 total cpu time spent up to now is 1102.5 secs Computing kpt #: 133 total cpu time spent up to now is 1109.9 secs Computing kpt #: 134 total cpu time spent up to now is 1116.9 secs Computing kpt #: 135 total cpu time spent up to now is 1124.4 secs Computing kpt #: 136 total cpu time spent up to now is 1131.0 secs Computing kpt #: 137 total cpu time spent up to now is 1137.7 secs Computing kpt #: 138 total cpu time spent up to now is 1144.5 secs Computing kpt #: 139 total cpu time spent up to now is 1151.1 secs Computing kpt #: 140 total cpu time spent up to now is 1158.0 secs Computing kpt #: 141 total cpu time spent up to now is 1164.1 secs Computing kpt #: 142 total cpu time spent up to now is 1171.3 secs Computing kpt #: 143 total cpu time spent up to now is 1178.6 secs Computing kpt #: 144 total cpu time spent up to now is 1185.6 secs Computing kpt #: 145 total cpu time spent up to now is 1192.7 secs Computing kpt #: 146 total cpu time spent up to now is 1200.4 secs Computing kpt #: 147 total cpu time spent up to now is 1207.2 secs Computing kpt #: 148 total cpu time spent up to now is 1213.9 secs Computing kpt #: 149 total cpu time spent up to now is 1221.5 secs Computing kpt #: 150 total cpu time spent up to now is 1229.8 secs Computing kpt #: 151 total cpu time spent up to now is 1236.9 secs Computing kpt #: 152 total cpu time spent up to now is 1244.2 secs Computing kpt #: 153 total cpu time spent up to now is 1252.6 secs Computing kpt #: 154 total cpu time spent up to now is 1260.3 secs Computing kpt #: 155 total cpu time spent up to now is 1267.7 secs Computing kpt #: 156 total cpu time spent up to now is 1274.8 secs Computing kpt #: 157 total cpu time spent up to now is 1281.6 secs Computing kpt #: 158 total cpu time spent up to now is 1288.3 secs Computing kpt #: 159 total cpu time spent up to now is 1295.7 secs Computing kpt #: 160 total cpu time spent up to now is 1304.7 secs Computing kpt #: 161 total cpu time spent up to now is 1313.7 secs Computing kpt #: 162 total cpu time spent up to now is 1324.5 secs Computing kpt #: 163 total cpu time spent up to now is 1334.5 secs Computing kpt #: 164 total cpu time spent up to now is 1342.7 secs Computing kpt #: 165 total cpu time spent up to now is 1353.1 secs Computing kpt #: 166 total cpu time spent up to now is 1362.5 secs Computing kpt #: 167 total cpu time spent up to now is 1373.6 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1385.3 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1396.6 secs Computing kpt #: 170 total cpu time spent up to now is 1405.0 secs Computing kpt #: 171 total cpu time spent up to now is 1412.4 secs Computing kpt #: 172 total cpu time spent up to now is 1419.7 secs Computing kpt #: 173 total cpu time spent up to now is 1427.3 secs Computing kpt #: 174 total cpu time spent up to now is 1434.0 secs Computing kpt #: 175 total cpu time spent up to now is 1440.7 secs Computing kpt #: 176 total cpu time spent up to now is 1447.7 secs Computing kpt #: 177 total cpu time spent up to now is 1456.2 secs Computing kpt #: 178 total cpu time spent up to now is 1463.4 secs Computing kpt #: 179 total cpu time spent up to now is 1470.6 secs Computing kpt #: 180 total cpu time spent up to now is 1478.1 secs Computing kpt #: 181 total cpu time spent up to now is 1485.5 secs Computing kpt #: 182 total cpu time spent up to now is 1492.2 secs Computing kpt #: 183 total cpu time spent up to now is 1499.6 secs Computing kpt #: 184 total cpu time spent up to now is 1506.7 secs Computing kpt #: 185 total cpu time spent up to now is 1512.7 secs Computing kpt #: 186 total cpu time spent up to now is 1519.1 secs Computing kpt #: 187 total cpu time spent up to now is 1526.3 secs Computing kpt #: 188 total cpu time spent up to now is 1533.5 secs Computing kpt #: 189 total cpu time spent up to now is 1539.9 secs Computing kpt #: 190 total cpu time spent up to now is 1547.2 secs Computing kpt #: 191 total cpu time spent up to now is 1555.7 secs Computing kpt #: 192 total cpu time spent up to now is 1563.6 secs Computing kpt #: 193 total cpu time spent up to now is 1572.2 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1584.5 secs Computing kpt #: 195 total cpu time spent up to now is 1593.1 secs Computing kpt #: 196 total cpu time spent up to now is 1602.1 secs Computing kpt #: 197 total cpu time spent up to now is 1610.3 secs Computing kpt #: 198 total cpu time spent up to now is 1617.6 secs Computing kpt #: 199 total cpu time spent up to now is 1625.1 secs Computing kpt #: 200 total cpu time spent up to now is 1632.3 secs Computing kpt #: 201 total cpu time spent up to now is 1639.0 secs Computing kpt #: 202 total cpu time spent up to now is 1645.4 secs Computing kpt #: 203 total cpu time spent up to now is 1653.0 secs Computing kpt #: 204 total cpu time spent up to now is 1659.4 secs Computing kpt #: 205 total cpu time spent up to now is 1666.8 secs Computing kpt #: 206 total cpu time spent up to now is 1675.0 secs Computing kpt #: 207 total cpu time spent up to now is 1683.9 secs Computing kpt #: 208 total cpu time spent up to now is 1693.4 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1709.0 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1722.9 secs Computing kpt #: 211 total cpu time spent up to now is 1732.7 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1747.7 secs Computing kpt #: 213 total cpu time spent up to now is 1756.8 secs ethr = 1.43E-08, avg # of iterations = 61.8 total cpu time spent up to now is 1756.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14071 PWs) bands (ev): -2.0634 -2.0634 -0.9649 -0.9649 -0.9564 -0.9564 0.2097 0.2097 0.2099 0.2099 0.4810 0.4810 3.8241 3.8241 4.2416 4.2416 4.9206 4.9206 5.0825 5.0825 5.1356 5.1356 5.1387 5.1387 5.3949 5.3949 5.4893 5.4893 5.4978 5.4978 6.0147 6.0147 6.2602 6.2602 6.9052 6.9052 6.9486 6.9486 7.1311 7.1311 7.3071 7.3071 7.3170 7.3170 7.6045 7.6045 7.8034 7.8034 7.9602 7.9602 7.9747 7.9747 8.0266 8.0266 8.0755 8.0755 8.5973 8.5973 8.6411 8.6411 8.7108 8.7108 8.7145 8.7145 9.3136 9.3136 9.4474 9.4474 9.4828 9.4828 9.7449 9.7449 9.9353 9.9353 9.9814 9.9814 10.2173 10.2173 10.2445 10.2445 10.9063 10.9063 11.3832 11.3832 k = 0.0227 0.0131-0.0000 ( 14069 PWs) bands (ev): -2.0622 -2.0622 -0.9659 -0.9659 -0.9574 -0.9574 0.2090 0.2090 0.2104 0.2104 0.4813 0.4813 3.8257 3.8257 4.2422 4.2422 4.9184 4.9184 5.0745 5.0745 5.1372 5.1372 5.1472 5.1472 5.3962 5.3962 5.4915 5.4915 5.4982 5.4982 6.0148 6.0148 6.2601 6.2601 6.9001 6.9001 6.9479 6.9479 7.1266 7.1266 7.3066 7.3066 7.3174 7.3174 7.6010 7.6010 7.8039 7.8039 7.9617 7.9617 7.9759 7.9759 8.0298 8.0298 8.0795 8.0795 8.5969 8.5969 8.6409 8.6409 8.7018 8.7018 8.7134 8.7134 9.3233 9.3233 9.4475 9.4475 9.4851 9.4851 9.7473 9.7473 9.9353 9.9353 9.9814 9.9814 10.2157 10.2157 10.2431 10.2431 10.9062 10.9062 11.3826 11.3826 k = 0.0455 0.0262-0.0000 ( 14055 PWs) bands (ev): -2.0586 -2.0586 -0.9692 -0.9692 -0.9600 -0.9600 0.2064 0.2064 0.2120 0.2120 0.4822 0.4822 3.8302 3.8302 4.2443 4.2443 4.9119 4.9119 5.0596 5.0596 5.1415 5.1415 5.1643 5.1643 5.4001 5.4001 5.4974 5.4974 5.5005 5.5005 6.0149 6.0149 6.2596 6.2596 6.8844 6.8844 6.9457 6.9457 7.1140 7.1140 7.3055 7.3055 7.3186 7.3186 7.5904 7.5904 7.8050 7.8050 7.9657 7.9657 7.9796 7.9796 8.0395 8.0395 8.0914 8.0914 8.5958 8.5958 8.6403 8.6403 8.6725 8.6725 8.7148 8.7148 9.3493 9.3493 9.4475 9.4475 9.4933 9.4933 9.7545 9.7545 9.9351 9.9351 9.9817 9.9817 10.2100 10.2100 10.2397 10.2397 10.9061 10.9061 11.3806 11.3806 k = 0.0682 0.0394-0.0000 ( 14067 PWs) bands (ev): -2.0527 -2.0527 -0.9753 -0.9753 -0.9637 -0.9637 0.2023 0.2023 0.2145 0.2145 0.4837 0.4837 3.8378 3.8378 4.2476 4.2476 4.9004 4.9004 5.0462 5.0462 5.1481 5.1481 5.1813 5.1813 5.4070 5.4070 5.5014 5.5014 5.5104 5.5104 6.0150 6.0150 6.2592 6.2592 6.8569 6.8569 6.9419 6.9419 7.0955 7.0955 7.3051 7.3051 7.3207 7.3207 7.5726 7.5726 7.8064 7.8064 7.9717 7.9717 7.9858 7.9858 8.0554 8.0554 8.1107 8.1107 8.5939 8.5939 8.6289 8.6289 8.6393 8.6393 8.7173 8.7173 9.3824 9.3824 9.4475 9.4475 9.5111 9.5111 9.7661 9.7661 9.9343 9.9343 9.9825 9.9825 10.1993 10.1993 10.2363 10.2363 10.9058 10.9058 11.3773 11.3773 k = 0.0909 0.0525-0.0000 ( 14073 PWs) bands (ev): -2.0445 -2.0445 -0.9845 -0.9845 -0.9680 -0.9680 0.1966 0.1966 0.2180 0.2180 0.4858 0.4858 3.8483 3.8483 4.2522 4.2522 4.8843 4.8843 5.0368 5.0368 5.1558 5.1558 5.1951 5.1951 5.4169 5.4169 5.5062 5.5062 5.5266 5.5266 6.0151 6.0151 6.2592 6.2592 6.8165 6.8165 6.9360 6.9360 7.0744 7.0744 7.3062 7.3062 7.3237 7.3237 7.5477 7.5477 7.8077 7.8077 7.9787 7.9787 7.9948 7.9948 8.0772 8.0772 8.1361 8.1361 8.5762 8.5762 8.5913 8.5913 8.6379 8.6379 8.7210 8.7210 9.4059 9.4059 9.4537 9.4537 9.5434 9.5434 9.7816 9.7816 9.9324 9.9324 9.9846 9.9846 10.1838 10.1838 10.2336 10.2336 10.9054 10.9054 11.3728 11.3728 k = 0.1136 0.0656-0.0000 ( 14093 PWs) bands (ev): -2.0339 -2.0339 -0.9968 -0.9968 -0.9728 -0.9728 0.1896 0.1896 0.2222 0.2222 0.4886 0.4886 3.8618 3.8618 4.2582 4.2582 4.8646 4.8646 5.0317 5.0317 5.1630 5.1630 5.2054 5.2054 5.4297 5.4297 5.5136 5.5136 5.5481 5.5481 6.0151 6.0151 6.2600 6.2600 6.7633 6.7633 6.9272 6.9272 7.0539 7.0539 7.3091 7.3091 7.3277 7.3277 7.5160 7.5160 7.8085 7.8085 7.9856 7.9856 8.0074 8.0074 8.1042 8.1042 8.1659 8.1659 8.5182 8.5182 8.5880 8.5880 8.6361 8.6361 8.7258 8.7258 9.4070 9.4070 9.4724 9.4724 9.5920 9.5920 9.8001 9.8001 9.9287 9.9287 9.9883 9.9883 10.1653 10.1653 10.2317 10.2317 10.9049 10.9049 11.3671 11.3671 k = 0.1364 0.0787-0.0000 ( 14083 PWs) bands (ev): -2.0211 -2.0211 -1.0118 -1.0118 -0.9783 -0.9783 0.1814 0.1814 0.2269 0.2269 0.4921 0.4921 3.8780 3.8780 4.2655 4.2655 4.8432 4.8432 5.0295 5.0295 5.1668 5.1668 5.2142 5.2142 5.4443 5.4443 5.5243 5.5243 5.5750 5.5750 6.0150 6.0150 6.2621 6.2621 6.6988 6.6988 6.9145 6.9145 7.0359 7.0359 7.3138 7.3138 7.3327 7.3327 7.4780 7.4780 7.8089 7.8089 7.9925 7.9925 8.0236 8.0236 8.1361 8.1361 8.1981 8.1981 8.4575 8.4575 8.5840 8.5840 8.6340 8.6340 8.7319 8.7319 9.3948 9.3948 9.4954 9.4954 9.6523 9.6523 9.8207 9.8207 9.9232 9.9232 9.9941 9.9941 10.1459 10.1459 10.2301 10.2301 10.9043 10.9043 11.3600 11.3600 k = 0.1591 0.0919-0.0000 ( 14107 PWs) bands (ev): -2.0062 -2.0062 -1.0295 -1.0295 -0.9842 -0.9842 0.1721 0.1721 0.2320 0.2320 0.4962 0.4962 3.8969 3.8969 4.2740 4.2740 4.8217 4.8217 5.0288 5.0288 5.1646 5.1646 5.2239 5.2239 5.4597 5.4597 5.5387 5.5387 5.6074 5.6074 6.0149 6.0149 6.2658 6.2658 6.6251 6.6251 6.8971 6.8971 7.0213 7.0213 7.3201 7.3201 7.3387 7.3387 7.4345 7.4345 7.8090 7.8090 7.9995 7.9995 8.0431 8.0431 8.1719 8.1719 8.2306 8.2306 8.3963 8.3963 8.5794 8.5794 8.6316 8.6316 8.7394 8.7394 9.3754 9.3754 9.5192 9.5192 9.7185 9.7185 9.8421 9.8421 9.9159 9.9159 10.0021 10.0021 10.1275 10.1275 10.2289 10.2289 10.9037 10.9037 11.3517 11.3518 k = 0.1818 0.1050-0.0000 ( 14109 PWs) bands (ev): -1.9891 -1.9891 -1.0497 -1.0497 -0.9906 -0.9906 0.1620 0.1620 0.2372 0.2372 0.5010 0.5010 3.9180 3.9180 4.2837 4.2837 4.8016 4.8016 5.0283 5.0283 5.1567 5.1567 5.2354 5.2354 5.4750 5.4750 5.5568 5.5568 5.6450 5.6450 6.0148 6.0148 6.2711 6.2711 6.5446 6.5446 6.8745 6.8745 7.0101 7.0101 7.3275 7.3275 7.3453 7.3453 7.3869 7.3869 7.8090 7.8090 8.0066 8.0066 8.0658 8.0658 8.2108 8.2108 8.2592 8.2592 8.3387 8.3387 8.5743 8.5743 8.6290 8.6290 8.7485 8.7485 9.3499 9.3499 9.5440 9.5440 9.7864 9.7864 9.8621 9.8621 9.9082 9.9082 10.0126 10.0126 10.1119 10.1119 10.2280 10.2280 10.9031 10.9031 11.3422 11.3422 k = 0.2045 0.1181-0.0000 ( 14117 PWs) bands (ev): -1.9699 -1.9699 -1.0722 -1.0722 -0.9973 -0.9973 0.1514 0.1514 0.2425 0.2425 0.5064 0.5064 3.9411 3.9411 4.2947 4.2947 4.7839 4.7839 5.0264 5.0264 5.1451 5.1451 5.2480 5.2480 5.4896 5.4896 5.5784 5.5784 5.6871 5.6871 6.0152 6.0152 6.2778 6.2778 6.4597 6.4597 6.8471 6.8471 7.0017 7.0017 7.3260 7.3260 7.3418 7.3418 7.3567 7.3567 7.8089 7.8089 8.0137 8.0137 8.0912 8.0912 8.2495 8.2495 8.2564 8.2564 8.3147 8.3147 8.5688 8.5688 8.6262 8.6262 8.7594 8.7594 9.3188 9.3188 9.5700 9.5700 9.8512 9.8512 9.8746 9.8746 9.9062 9.9062 10.0264 10.0264 10.1009 10.1009 10.2277 10.2277 10.9025 10.9025 11.3313 11.3313 k = 0.2273 0.1312-0.0000 ( 14109 PWs) bands (ev): -1.9489 -1.9489 -1.0968 -1.0968 -1.0041 -1.0041 0.1404 0.1404 0.2475 0.2475 0.5124 0.5124 3.9656 3.9656 4.3067 4.3067 4.7698 4.7698 5.0215 5.0215 5.1324 5.1324 5.2605 5.2605 5.5034 5.5034 5.6037 5.6037 5.7324 5.7324 6.0161 6.0161 6.2841 6.2841 6.3740 6.3740 6.8152 6.8152 6.9953 6.9953 7.2752 7.2752 7.3483 7.3483 7.3648 7.3648 7.8091 7.8091 8.0205 8.0205 8.1186 8.1186 8.2026 8.2026 8.2944 8.2944 8.3370 8.3370 8.5630 8.5630 8.6233 8.6233 8.7725 8.7725 9.2823 9.2823 9.5969 9.5969 9.8655 9.8655 9.9138 9.9138 9.9178 9.9178 10.0451 10.0451 10.0961 10.0961 10.2283 10.2283 10.9022 10.9022 11.3192 11.3192 k = 0.2500 0.1443-0.0000 ( 14103 PWs) bands (ev): -1.9260 -1.9260 -1.1234 -1.1234 -1.0110 -1.0110 0.1293 0.1293 0.2523 0.2523 0.5188 0.5188 3.9908 3.9908 4.3199 4.3199 4.7602 4.7602 5.0122 5.0122 5.1207 5.1207 5.2725 5.2725 5.5159 5.5159 5.6326 5.6326 5.7796 5.7796 6.0176 6.0176 6.2652 6.2652 6.3142 6.3142 6.7796 6.7796 6.9903 6.9903 7.2178 7.2178 7.3586 7.3586 7.3756 7.3756 7.8099 7.8099 8.0264 8.0264 8.1310 8.1310 8.1640 8.1640 8.3364 8.3364 8.3638 8.3638 8.5573 8.5573 8.6203 8.6203 8.7882 8.7882 9.2408 9.2408 9.6244 9.6244 9.8513 9.8513 9.9328 9.9328 9.9614 9.9614 10.0699 10.0699 10.1013 10.1013 10.2305 10.2305 10.9020 10.9020 11.3057 11.3057 k = 0.2727 0.1575-0.0000 ( 14089 PWs) bands (ev): -1.9015 -1.9015 -1.1517 -1.1517 -1.0178 -1.0178 0.1184 0.1184 0.2567 0.2567 0.5256 0.5256 4.0160 4.0160 4.3340 4.3340 4.7561 4.7561 4.9979 4.9979 5.1115 5.1115 5.2836 5.2836 5.5269 5.5269 5.6652 5.6652 5.8263 5.8263 6.0186 6.0186 6.1887 6.1887 6.3159 6.3159 6.7405 6.7405 6.9859 6.9859 7.1590 7.1590 7.3692 7.3692 7.3881 7.3881 7.8115 7.8115 8.0305 8.0305 8.0827 8.0827 8.1898 8.1898 8.3770 8.3770 8.3894 8.3894 8.5518 8.5518 8.6173 8.6173 8.8069 8.8069 9.1950 9.1950 9.6520 9.6520 9.8331 9.8331 9.9470 9.9470 9.9935 9.9935 10.0885 10.0885 10.1289 10.1289 10.2354 10.2354 10.9022 10.9022 11.2908 11.2908 k = 0.2955 0.1706-0.0000 ( 14085 PWs) bands (ev): -1.8755 -1.8755 -1.1814 -1.1814 -1.0243 -1.0243 0.1077 0.1077 0.2606 0.2606 0.5326 0.5326 4.0402 4.0402 4.3489 4.3489 4.7582 4.7582 4.9793 4.9793 5.1048 5.1048 5.2936 5.2936 5.5359 5.5359 5.7017 5.7017 5.8675 5.8675 6.0151 6.0151 6.1166 6.1166 6.3260 6.3260 6.6982 6.6982 6.9819 6.9819 7.1002 7.1002 7.3797 7.3797 7.4025 7.4025 7.8143 7.8143 8.0219 8.0219 8.0395 8.0395 8.2255 8.2255 8.4123 8.4123 8.4154 8.4154 8.5469 8.5469 8.6144 8.6144 8.8290 8.8290 9.1455 9.1455 9.6791 9.6791 9.8124 9.8124 9.9593 9.9593 10.0148 10.0148 10.0999 10.0999 10.1705 10.1705 10.2464 10.2464 10.9027 10.9027 11.2743 11.2743 k = 0.3182 0.1837-0.0000 ( 14075 PWs) bands (ev): -1.8482 -1.8482 -1.2123 -1.2123 -1.0305 -1.0305 0.0976 0.0976 0.2640 0.2640 0.5395 0.5395 4.0628 4.0628 4.3646 4.3646 4.7671 4.7671 4.9579 4.9579 5.0998 5.0998 5.3024 5.3024 5.5426 5.5426 5.7419 5.7419 5.8838 5.8838 6.0039 6.0039 6.0789 6.0789 6.3369 6.3369 6.6531 6.6531 6.9772 6.9772 7.0435 7.0435 7.3898 7.3898 7.4190 7.4190 7.8185 7.8185 7.9721 7.9721 8.0365 8.0365 8.2642 8.2642 8.4332 8.4332 8.4493 8.4493 8.5429 8.5429 8.6116 8.6116 8.8547 8.8547 9.0933 9.0933 9.7050 9.7050 9.7898 9.7898 9.9700 9.9700 10.0307 10.0307 10.1111 10.1111 10.2046 10.2046 10.2701 10.2701 10.9036 10.9036 11.2559 11.2560 k = 0.3409 0.1968-0.0000 ( 14071 PWs) bands (ev): -1.8200 -1.8200 -1.2440 -1.2440 -1.0362 -1.0362 0.0883 0.0883 0.2669 0.2669 0.5463 0.5463 4.0828 4.0828 4.3806 4.3806 4.7830 4.7830 4.9357 4.9357 5.0958 5.0958 5.3101 5.3101 5.5461 5.5461 5.7855 5.7855 5.8432 5.8432 6.0183 6.0183 6.0752 6.0752 6.3474 6.3474 6.6052 6.6052 6.9645 6.9645 6.9970 6.9970 7.3991 7.3991 7.4373 7.4373 7.8243 7.8243 7.9208 7.9208 8.0341 8.0341 8.3053 8.3053 8.4510 8.4510 8.4790 8.4790 8.5400 8.5400 8.6090 8.6090 8.8835 8.8835 9.0391 9.0391 9.7289 9.7289 9.7658 9.7658 9.9796 9.9796 10.0440 10.0440 10.1224 10.1224 10.2252 10.2252 10.3073 10.3073 10.9050 10.9050 11.2348 11.2348 k = 0.3636 0.2099-0.0000 ( 14059 PWs) bands (ev): -1.7912 -1.7912 -1.2759 -1.2759 -1.0413 -1.0413 0.0799 0.0799 0.2694 0.2694 0.5526 0.5526 4.0999 4.0999 4.3968 4.3968 4.8048 4.8048 4.9153 4.9153 5.0922 5.0922 5.3166 5.3166 5.5446 5.5446 5.7740 5.7740 5.8325 5.8325 6.0535 6.0535 6.0832 6.0832 6.3568 6.3568 6.5549 6.5549 6.9240 6.9240 6.9817 6.9817 7.4077 7.4077 7.4577 7.4577 7.8318 7.8318 7.8715 7.8715 8.0291 8.0291 8.3485 8.3485 8.4659 8.4659 8.5037 8.5037 8.5385 8.5385 8.6066 8.6066 8.9147 8.9147 8.9837 8.9837 9.7410 9.7410 9.7502 9.7502 9.9883 9.9883 10.0554 10.0554 10.1331 10.1331 10.2405 10.2405 10.3475 10.3475 10.9068 10.9068 11.2095 11.2095 k = 0.3864 0.2231-0.0000 ( 14069 PWs) bands (ev): -1.7624 -1.7624 -1.3075 -1.3075 -1.0458 -1.0458 0.0725 0.0725 0.2714 0.2714 0.5584 0.5584 4.1137 4.1137 4.4125 4.4125 4.8275 4.8275 4.9024 4.9024 5.0888 5.0888 5.3220 5.3220 5.5334 5.5334 5.7070 5.7070 5.8817 5.8817 6.0887 6.0887 6.0976 6.0976 6.3649 6.3649 6.5027 6.5027 6.8770 6.8770 6.9777 6.9777 7.4153 7.4153 7.4800 7.4800 7.8239 7.8239 7.8416 7.8416 8.0214 8.0214 8.3936 8.3936 8.4778 8.4778 8.5237 8.5237 8.5384 8.5384 8.6044 8.6044 8.9255 8.9255 8.9488 8.9488 9.7162 9.7162 9.7684 9.7684 9.9963 9.9963 10.0652 10.0652 10.1427 10.1427 10.2554 10.2554 10.3845 10.3845 10.9090 10.9090 11.1795 11.1795 k = 0.4091 0.2362-0.0000 ( 14071 PWs) bands (ev): -1.7344 -1.7344 -1.3380 -1.3380 -1.0496 -1.0496 0.0663 0.0663 0.2730 0.2730 0.5633 0.5633 4.1244 4.1244 4.4272 4.4272 4.8363 4.8363 4.9119 4.9119 5.0855 5.0855 5.3263 5.3263 5.5041 5.5041 5.6579 5.6579 5.9329 5.9329 6.1053 6.1053 6.1286 6.1286 6.3713 6.3713 6.4493 6.4493 6.8342 6.8342 6.9754 6.9754 7.4217 7.4217 7.5044 7.5044 7.7794 7.7794 7.8522 7.8522 8.0114 8.0114 8.4404 8.4404 8.4869 8.4869 8.5391 8.5391 8.5396 8.5396 8.6026 8.6026 8.8698 8.8698 8.9793 8.9793 9.6925 9.6925 9.7833 9.7833 10.0033 10.0033 10.0735 10.0735 10.1508 10.1508 10.2706 10.2706 10.4157 10.4157 10.9116 10.9116 11.1465 11.1465 k = 0.4318 0.2493-0.0000 ( 14089 PWs) bands (ev): -1.7085 -1.7085 -1.3659 -1.3659 -1.0526 -1.0526 0.0613 0.0613 0.2742 0.2742 0.5674 0.5674 4.1322 4.1322 4.4401 4.4401 4.8287 4.8287 4.9454 4.9454 5.0820 5.0820 5.3296 5.3296 5.4551 5.4551 5.6326 5.6326 5.9848 5.9848 6.1170 6.1170 6.1581 6.1581 6.3760 6.3760 6.3963 6.3963 6.7982 6.7982 6.9739 6.9739 7.4270 7.4270 7.5308 7.5308 7.7370 7.7370 7.8640 7.8640 7.9999 7.9999 8.4861 8.4861 8.4959 8.4959 8.5416 8.5416 8.5506 8.5506 8.6012 8.6012 8.8134 8.8134 9.0076 9.0076 9.6712 9.6712 9.7946 9.7946 10.0091 10.0091 10.0801 10.0801 10.1572 10.1572 10.2853 10.2853 10.4404 10.4404 10.9144 10.9144 11.1139 11.1139 k = 0.4545 0.2624-0.0000 ( 14085 PWs) bands (ev): -1.6865 -1.6865 -1.3893 -1.3893 -1.0548 -1.0548 0.0577 0.0577 0.2750 0.2750 0.5704 0.5704 4.1375 4.1375 4.4503 4.4503 4.8182 4.8182 4.9873 4.9873 5.0778 5.0778 5.3318 5.3318 5.4002 5.4002 5.6220 5.6220 6.0352 6.0352 6.1254 6.1254 6.1805 6.1805 6.3457 6.3457 6.3800 6.3800 6.7707 6.7707 6.9729 6.9729 7.4308 7.4308 7.5593 7.5593 7.6970 7.6970 7.8755 7.8755 7.9882 7.9882 8.4963 8.4963 8.5364 8.5364 8.5468 8.5468 8.5585 8.5585 8.6003 8.6003 8.7576 8.7576 9.0305 9.0305 9.6541 9.6541 9.8025 9.8025 10.0135 10.0135 10.0848 10.0848 10.1619 10.1619 10.2980 10.2980 10.4581 10.4581 10.9172 10.9172 11.0861 11.0861 k = 0.4773 0.2756-0.0000 ( 14085 PWs) bands (ev): -1.6712 -1.6712 -1.4054 -1.4054 -1.0561 -1.0561 0.0556 0.0556 0.2755 0.2755 0.5722 0.5722 4.1404 4.1404 4.4568 4.4568 4.8106 4.8106 5.0266 5.0266 5.0710 5.0710 5.3324 5.3324 5.3565 5.3565 5.6179 5.6179 6.0794 6.0794 6.1277 6.1277 6.1943 6.1943 6.3053 6.3053 6.3820 6.3820 6.7533 6.7533 6.9722 6.9722 7.4331 7.4331 7.5898 7.5898 7.6595 7.6595 7.8848 7.8848 7.9788 7.9788 8.4988 8.4988 8.5438 8.5438 8.5631 8.5631 8.5890 8.5890 8.6022 8.6022 8.7031 8.7031 9.0453 9.0453 9.6429 9.6429 9.8072 9.8072 10.0162 10.0162 10.0878 10.0878 10.1648 10.1648 10.3066 10.3066 10.4686 10.4686 10.9194 10.9195 11.0671 11.0671 k = 0.5000 0.2887-0.0000 ( 14074 PWs) bands (ev): -1.6657 -1.6657 -1.4113 -1.4113 -1.0565 -1.0565 0.0548 0.0548 0.2757 0.2757 0.5728 0.5728 4.1414 4.1414 4.4591 4.4591 4.8079 4.8079 5.0509 5.0509 5.0604 5.0604 5.3304 5.3304 5.3412 5.3412 5.6168 5.6168 6.1032 6.1032 6.1232 6.1232 6.1988 6.1988 6.2884 6.2884 6.3826 6.3826 6.7473 6.7473 6.9720 6.9720 7.4339 7.4339 7.6170 7.6170 7.6301 7.6301 7.8885 7.8885 7.9750 7.9750 8.4996 8.4996 8.5445 8.5445 8.5646 8.5646 8.5975 8.5975 8.6348 8.6348 8.6604 8.6604 9.0505 9.0505 9.6390 9.6390 9.8088 9.8088 10.0171 10.0171 10.0887 10.0887 10.1657 10.1657 10.3097 10.3097 10.4722 10.4722 10.9203 10.9203 11.0603 11.0603 k = 0.5000 0.2887-0.0000 ( 14074 PWs) bands (ev): -1.6657 -1.6657 -1.4113 -1.4113 -1.0565 -1.0565 0.0548 0.0548 0.2757 0.2757 0.5728 0.5728 4.1414 4.1414 4.4591 4.4591 4.8079 4.8079 5.0509 5.0509 5.0604 5.0604 5.3304 5.3304 5.3412 5.3412 5.6168 5.6168 6.1032 6.1032 6.1232 6.1232 6.1988 6.1988 6.2884 6.2884 6.3826 6.3826 6.7473 6.7473 6.9720 6.9720 7.4339 7.4339 7.6170 7.6170 7.6301 7.6301 7.8885 7.8885 7.9750 7.9750 8.4996 8.4996 8.5445 8.5445 8.5646 8.5646 8.5975 8.5975 8.6348 8.6348 8.6604 8.6604 9.0505 9.0505 9.6390 9.6390 9.8088 9.8088 10.0171 10.0171 10.0887 10.0887 10.1657 10.1657 10.3097 10.3097 10.4722 10.4722 10.9203 10.9203 11.0603 11.0603 k = 0.4872 0.3109-0.0000 ( 14092 PWs) bands (ev): -1.6647 -1.6647 -1.4114 -1.4114 -1.0575 -1.0575 0.0526 0.0526 0.2785 0.2785 0.5721 0.5721 4.1450 4.1450 4.4600 4.4600 4.8061 4.8061 5.0150 5.0150 5.0966 5.0966 5.3297 5.3297 5.3404 5.3404 5.6116 5.6116 6.0869 6.0869 6.1413 6.1413 6.1997 6.1997 6.2833 6.2833 6.3929 6.3929 6.7451 6.7451 6.9699 6.9699 7.4343 7.4343 7.6166 7.6166 7.6295 7.6295 7.8900 7.8900 7.9772 7.9772 8.4956 8.4956 8.5440 8.5440 8.5646 8.5646 8.5976 8.5976 8.6348 8.6348 8.6614 8.6614 9.0530 9.0530 9.6378 9.6378 9.8096 9.8096 10.0153 10.0153 10.0890 10.0890 10.1634 10.1634 10.3146 10.3146 10.4689 10.4689 10.9220 10.9220 11.0573 11.0573 k = 0.4744 0.3331-0.0000 ( 14106 PWs) bands (ev): -1.6618 -1.6618 -1.4120 -1.4120 -1.0605 -1.0605 0.0464 0.0464 0.2866 0.2866 0.5700 0.5700 4.1558 4.1558 4.4625 4.4625 4.8006 4.8006 4.9761 4.9761 5.1364 5.1364 5.3255 5.3255 5.3397 5.3397 5.5984 5.5984 6.0639 6.0639 6.1661 6.1661 6.1996 6.1996 6.2798 6.2798 6.4162 6.4162 6.7385 6.7385 6.9635 6.9635 7.4356 7.4356 7.6154 7.6154 7.6278 7.6278 7.8946 7.8946 7.9835 7.9835 8.4841 8.4841 8.5424 8.5424 8.5647 8.5647 8.5979 8.5979 8.6347 8.6347 8.6640 8.6640 9.0604 9.0604 9.6341 9.6341 9.8120 9.8120 10.0099 10.0099 10.0896 10.0896 10.1576 10.1576 10.3280 10.3280 10.4596 10.4596 10.9267 10.9267 11.0492 11.0492 k = 0.4615 0.3553-0.0000 ( 14086 PWs) bands (ev): -1.6569 -1.6569 -1.4130 -1.4130 -1.0653 -1.0653 0.0372 0.0372 0.2989 0.2989 0.5666 0.5666 4.1736 4.1736 4.4667 4.4667 4.7915 4.7915 4.9390 4.9390 5.1727 5.1727 5.3157 5.3157 5.3408 5.3408 5.5834 5.5834 6.0399 6.0399 6.1704 6.1704 6.2090 6.2090 6.2938 6.2938 6.4436 6.4436 6.7284 6.7284 6.9532 6.9532 7.4378 7.4378 7.6134 7.6134 7.6251 7.6251 7.9019 7.9019 7.9936 7.9936 8.4663 8.4663 8.5399 8.5399 8.5649 8.5649 8.5982 8.5982 8.6346 8.6346 8.6673 8.6673 9.0727 9.0727 9.6279 9.6279 9.8160 9.8160 10.0019 10.0019 10.0899 10.0899 10.1507 10.1507 10.3471 10.3471 10.4455 10.4455 10.9337 10.9337 11.0383 11.0383 k = 0.4487 0.3775-0.0000 ( 14074 PWs) bands (ev): -1.6501 -1.6501 -1.4146 -1.4146 -1.0717 -1.0717 0.0261 0.0261 0.3143 0.3143 0.5618 0.5618 4.1984 4.1984 4.4726 4.4726 4.7789 4.7789 4.9042 4.9042 5.1977 5.1977 5.3048 5.3048 5.3437 5.3437 5.5729 5.5729 6.0151 6.0151 6.1497 6.1497 6.2315 6.2315 6.3254 6.3254 6.4705 6.4705 6.7158 6.7158 6.9393 6.9393 7.4412 7.4412 7.6106 7.6106 7.6214 7.6214 7.9118 7.9118 8.0070 8.0070 8.4433 8.4433 8.5367 8.5367 8.5652 8.5652 8.5986 8.5986 8.6345 8.6345 8.6705 8.6705 9.0897 9.0897 9.6191 9.6191 9.8214 9.8214 9.9923 9.9923 10.0892 10.0892 10.1450 10.1450 10.3679 10.3679 10.4294 10.4294 10.9420 10.9420 11.0266 11.0266 k = 0.4359 0.3997-0.0000 ( 14074 PWs) bands (ev): -1.6414 -1.6414 -1.4171 -1.4171 -1.0794 -1.0794 0.0144 0.0144 0.3317 0.3317 0.5558 0.5558 4.2298 4.2298 4.4801 4.4801 4.7632 4.7632 4.8720 4.8720 5.1941 5.1941 5.3089 5.3089 5.3479 5.3479 5.5707 5.5707 5.9903 5.9903 6.1230 6.1230 6.2535 6.2535 6.3668 6.3668 6.4938 6.4938 6.7027 6.7027 6.9226 6.9226 7.4458 7.4458 7.6070 7.6070 7.6167 7.6167 7.9239 7.9239 8.0229 8.0229 8.4163 8.4163 8.5331 8.5331 8.5656 8.5656 8.5990 8.5990 8.6342 8.6342 8.6730 8.6730 9.1110 9.1110 9.6074 9.6074 9.8280 9.8280 9.9822 9.9822 10.0864 10.0864 10.1423 10.1423 10.3791 10.3791 10.4219 10.4219 10.9508 10.9508 11.0160 11.0160 k = 0.4231 0.4219-0.0000 ( 14098 PWs) bands (ev): -1.6309 -1.6309 -1.4208 -1.4208 -1.0880 -1.0880 0.0026 0.0026 0.3501 0.3501 0.5486 0.5486 4.2677 4.2677 4.4891 4.4891 4.7450 4.7450 4.8427 4.8427 5.1597 5.1597 5.3291 5.3291 5.3551 5.3551 5.5775 5.5775 5.9662 5.9662 6.0949 6.0949 6.2743 6.2743 6.4117 6.4117 6.5104 6.5104 6.6919 6.6919 6.9038 6.9038 7.4518 7.4518 7.6027 7.6027 7.6111 7.6111 7.9379 7.9379 8.0405 8.0405 8.3863 8.3863 8.5294 8.5294 8.5661 8.5661 8.5993 8.5993 8.6338 8.6338 8.6744 8.6744 9.1365 9.1365 9.5927 9.5927 9.8355 9.8355 9.9728 9.9728 10.0811 10.0811 10.1434 10.1434 10.3663 10.3663 10.4372 10.4372 10.9595 10.9595 11.0077 11.0077 k = 0.4103 0.4441-0.0000 ( 14094 PWs) bands (ev): -1.6186 -1.6186 -1.4260 -1.4260 -1.0969 -1.0969 -0.0084 -0.0084 0.3691 0.3691 0.5402 0.5402 4.3115 4.3115 4.4996 4.4996 4.7252 4.7252 4.8159 4.8159 5.1093 5.1093 5.3449 5.3449 5.3726 5.3726 5.5915 5.5915 5.9437 5.9437 6.0670 6.0670 6.2946 6.2946 6.4556 6.4556 6.5172 6.5172 6.6867 6.6867 6.8836 6.8836 7.4595 7.4595 7.5974 7.5974 7.6048 7.6048 7.9536 7.9536 8.0587 8.0587 8.3543 8.3543 8.5260 8.5260 8.5667 8.5667 8.5995 8.5995 8.6332 8.6332 8.6745 8.6745 9.1656 9.1656 9.5747 9.5747 9.8434 9.8434 9.9651 9.9651 10.0736 10.0736 10.1481 10.1481 10.3442 10.3442 10.4601 10.4601 10.9679 10.9679 11.0030 11.0030 k = 0.3974 0.4663-0.0000 ( 14086 PWs) bands (ev): -1.6045 -1.6045 -1.4333 -1.4333 -1.1057 -1.1057 -0.0182 -0.0182 0.3880 0.3880 0.5307 0.5307 4.3606 4.3606 4.5116 4.5116 4.7049 4.7049 4.7914 4.7914 5.0513 5.0513 5.3515 5.3515 5.3983 5.3983 5.6104 5.6104 5.9237 5.9237 6.0405 6.0405 6.3147 6.3147 6.4954 6.4954 6.5129 6.5129 6.6890 6.6890 6.8630 6.8630 7.4689 7.4689 7.5911 7.5911 7.5980 7.5980 7.9708 7.9708 8.0765 8.0765 8.3215 8.3215 8.5232 8.5232 8.5673 8.5673 8.5996 8.5996 8.6326 8.6326 8.6732 8.6732 9.1980 9.1980 9.5532 9.5532 9.8512 9.8512 9.9600 9.9600 10.0647 10.0647 10.1555 10.1555 10.3205 10.3205 10.4826 10.4826 10.9761 10.9761 11.0027 11.0027 k = 0.3846 0.4885-0.0000 ( 14098 PWs) bands (ev): -1.5887 -1.5887 -1.4429 -1.4429 -1.1137 -1.1137 -0.0266 -0.0266 0.4064 0.4064 0.5203 0.5203 4.4137 4.4137 4.5251 4.5251 4.6856 4.6856 4.7688 4.7688 4.9894 4.9894 5.3556 5.3556 5.4229 5.4229 5.6317 5.6317 5.9070 5.9070 6.0163 6.0163 6.3348 6.3348 6.4992 6.4992 6.5289 6.5289 6.6974 6.6974 6.8433 6.8433 7.4801 7.4801 7.5835 7.5835 7.5910 7.5910 7.9894 7.9894 8.0924 8.0924 8.2893 8.2893 8.5213 8.5213 8.5681 8.5681 8.5996 8.5996 8.6321 8.6321 8.6705 8.6705 9.2332 9.2332 9.5280 9.5280 9.8582 9.8582 9.9580 9.9580 10.0549 10.0549 10.1652 10.1652 10.2972 10.2972 10.5023 10.5023 10.9843 10.9843 11.0071 11.0071 k = 0.3718 0.5107-0.0000 ( 14102 PWs) bands (ev): -1.5712 -1.5712 -1.4552 -1.4552 -1.1204 -1.1204 -0.0334 -0.0334 0.4241 0.4241 0.5090 0.5090 4.4673 4.4673 4.5416 4.5416 4.6695 4.6695 4.7483 4.7483 4.9256 4.9256 5.3585 5.3585 5.4435 5.4435 5.6523 5.6523 5.8942 5.8942 5.9956 5.9956 6.3551 6.3551 6.4798 6.4798 6.5544 6.5544 6.7088 6.7088 6.8256 6.8256 7.4933 7.4933 7.5748 7.5748 7.5836 7.5836 8.0093 8.0093 8.1040 8.1040 8.2599 8.2599 8.5204 8.5204 8.5688 8.5688 8.5995 8.5995 8.6320 8.6320 8.6664 8.6664 9.2707 9.2707 9.4992 9.4992 9.8638 9.8638 9.9594 9.9594 10.0449 10.0449 10.1767 10.1767 10.2753 10.2753 10.5179 10.5179 10.9929 10.9929 11.0155 11.0155 k = 0.3590 0.5329-0.0000 ( 14100 PWs) bands (ev): -1.5523 -1.5523 -1.4705 -1.4705 -1.1254 -1.1254 -0.0382 -0.0382 0.4409 0.4409 0.4970 0.4970 4.5105 4.5105 4.5668 4.5668 4.6612 4.6612 4.7303 4.7303 4.8614 4.8614 5.3606 5.3606 5.4587 5.4587 5.6695 5.6695 5.8857 5.8857 5.9801 5.9801 6.3754 6.3754 6.4580 6.4580 6.5712 6.5712 6.7196 6.7196 6.8118 6.8118 7.5084 7.5084 7.5651 7.5651 7.5760 7.5760 8.0303 8.0303 8.1080 8.1080 8.2369 8.2369 8.5203 8.5203 8.5695 8.5695 8.5994 8.5994 8.6329 8.6329 8.6611 8.6611 9.3098 9.3098 9.4667 9.4667 9.8678 9.8678 9.9632 9.9632 10.0354 10.0354 10.1897 10.1897 10.2552 10.2552 10.5290 10.5290 11.0025 11.0025 11.0256 11.0256 k = 0.3462 0.5551-0.0000 ( 14090 PWs) bands (ev): -1.5318 -1.5318 -1.4887 -1.4887 -1.1284 -1.1284 -0.0412 -0.0412 0.4563 0.4563 0.4844 0.4844 4.5307 4.5307 4.5956 4.5956 4.6756 4.6756 4.7165 4.7165 4.7979 4.7979 5.3618 5.3618 5.4679 5.4679 5.6806 5.6806 5.8812 5.8812 5.9709 5.9709 6.3956 6.3956 6.4361 6.4361 6.5798 6.5798 6.7270 6.7270 6.8033 6.8033 7.5248 7.5248 7.5550 7.5550 7.5683 7.5683 8.0514 8.0514 8.1012 8.1012 8.2241 8.2241 8.5208 8.5208 8.5700 8.5700 8.5993 8.5993 8.6355 8.6355 8.6550 8.6550 9.3501 9.3501 9.4305 9.4305 9.8702 9.8702 9.9677 9.9677 10.0280 10.0280 10.2038 10.2038 10.2371 10.2371 10.5355 10.5355 11.0134 11.0134 11.0320 11.0320 k = 0.3333 0.5774-0.0000 ( 14070 PWs) bands (ev): -1.5117 -1.5117 -1.5081 -1.5081 -1.1295 -1.1295 -0.0422 -0.0422 0.4681 0.4681 0.4736 0.4736 4.5357 4.5357 4.6036 4.6036 4.7037 4.7037 4.7231 4.7231 4.7457 4.7457 5.3622 5.3622 5.4710 5.4710 5.6843 5.6843 5.8800 5.8800 5.9681 5.9681 6.4142 6.4142 6.4169 6.4169 6.5820 6.5820 6.7293 6.7293 6.8008 6.8008 7.5358 7.5358 7.5488 7.5488 7.5630 7.5630 8.0654 8.0654 8.0913 8.0913 8.2207 8.2207 8.5211 8.5211 8.5702 8.5702 8.5993 8.5993 8.6383 8.6383 8.6506 8.6506 9.3907 9.3907 9.3914 9.3914 9.8710 9.8710 9.9697 9.9697 10.0251 10.0251 10.2149 10.2149 10.2247 10.2247 10.5375 10.5375 11.0248 11.0248 11.0276 11.0276 k = 0.3333 0.5774-0.0000 ( 14070 PWs) bands (ev): -1.5117 -1.5117 -1.5081 -1.5081 -1.1295 -1.1295 -0.0422 -0.0422 0.4681 0.4681 0.4736 0.4736 4.5357 4.5357 4.6036 4.6036 4.7037 4.7037 4.7231 4.7231 4.7457 4.7457 5.3622 5.3622 5.4710 5.4710 5.6843 5.6843 5.8800 5.8800 5.9681 5.9681 6.4142 6.4142 6.4169 6.4169 6.5820 6.5820 6.7293 6.7293 6.8008 6.8008 7.5358 7.5358 7.5488 7.5488 7.5630 7.5630 8.0654 8.0654 8.0913 8.0913 8.2207 8.2207 8.5211 8.5211 8.5702 8.5702 8.5993 8.5993 8.6383 8.6383 8.6506 8.6506 9.3907 9.3907 9.3914 9.3914 9.8710 9.8710 9.9697 9.9697 10.0251 10.0251 10.2149 10.2149 10.2247 10.2247 10.5375 10.5375 11.0248 11.0248 11.0276 11.0276 k = 0.3200 0.5543-0.0000 ( 14080 PWs) bands (ev): -1.5347 -1.5347 -1.4858 -1.4858 -1.1284 -1.1284 -0.0411 -0.0411 0.4563 0.4563 0.4844 0.4844 4.5318 4.5318 4.5988 4.5988 4.6704 4.6704 4.7066 4.7066 4.8093 4.8093 5.3618 5.3618 5.4677 5.4677 5.6809 5.6809 5.8807 5.8807 5.9702 5.9702 6.3967 6.3967 6.4349 6.4349 6.5809 6.5809 6.7277 6.7277 6.8025 6.8025 7.5275 7.5275 7.5451 7.5451 7.5757 7.5757 8.0483 8.0483 8.1056 8.1056 8.2225 8.2225 8.5205 8.5205 8.5699 8.5699 8.5993 8.5993 8.6329 8.6329 8.6581 8.6581 9.3468 9.3468 9.4337 9.4337 9.8700 9.8700 9.9674 9.9674 10.0282 10.0282 10.2037 10.2037 10.2370 10.2370 10.5354 10.5354 11.0047 11.0047 11.0415 11.0415 k = 0.3067 0.5312-0.0000 ( 14098 PWs) bands (ev): -1.5618 -1.5618 -1.4605 -1.4605 -1.1254 -1.1254 -0.0380 -0.0380 0.4417 0.4417 0.4959 0.4959 4.5220 4.5220 4.5791 4.5791 4.6222 4.6222 4.7159 4.7159 4.8924 4.8924 5.3605 5.3605 5.4583 5.4583 5.6726 5.6726 5.8815 5.8815 5.9745 5.9745 6.3804 6.3804 6.4508 6.4508 6.5805 6.5805 6.7252 6.7252 6.8060 6.8060 7.5148 7.5148 7.5352 7.5352 7.6002 7.6002 8.0203 8.0203 8.1273 8.1273 8.2252 8.2252 8.5189 8.5189 8.5689 8.5689 8.5995 8.5995 8.6225 8.6225 8.6756 8.6756 9.2997 9.2997 9.4760 9.4760 9.8666 9.8666 9.9624 9.9624 10.0353 10.0353 10.1903 10.1903 10.2529 10.2529 10.5294 10.5294 10.9753 10.9753 11.0590 11.0590 k = 0.2933 0.5081-0.0000 ( 14096 PWs) bands (ev): -1.5909 -1.5909 -1.4341 -1.4341 -1.1206 -1.1206 -0.0328 -0.0328 0.4268 0.4268 0.5057 0.5057 4.5073 4.5073 4.5331 4.5331 4.6022 4.6022 4.7328 4.7328 4.9804 4.9804 5.3586 5.3586 5.4431 5.4431 5.6623 5.6623 5.8801 5.8801 5.9780 5.9780 6.3655 6.3655 6.4611 6.4611 6.5853 6.5853 6.7249 6.7249 6.8098 6.8098 7.5013 7.5013 7.5239 7.5239 7.6287 7.6287 7.9913 7.9913 8.1477 8.1477 8.2264 8.2264 8.5162 8.5162 8.5668 8.5668 8.5998 8.5998 8.6104 8.6104 8.7004 8.7004 9.2503 9.2503 9.5174 9.5174 9.8601 9.8601 9.9574 9.9574 10.0432 10.0432 10.1779 10.1779 10.2679 10.2679 10.5198 10.5198 10.9453 10.9453 11.0787 11.0787 k = 0.2800 0.4850-0.0000 ( 14090 PWs) bands (ev): -1.6214 -1.6214 -1.4068 -1.4068 -1.1145 -1.1145 -0.0257 -0.0257 0.4117 0.4117 0.5139 0.5139 4.4703 4.4703 4.4982 4.4982 4.5943 4.5943 4.7548 4.7548 5.0710 5.0710 5.3563 5.3563 5.4229 5.4229 5.6523 5.6523 5.8751 5.8751 5.9787 5.9787 6.3499 6.3499 6.4642 6.4642 6.5977 6.5977 6.7300 6.7300 6.8140 6.8140 7.4873 7.4873 7.5116 7.5116 7.6602 7.6602 7.9634 7.9634 8.1648 8.1648 8.2252 8.2252 8.5133 8.5133 8.5634 8.5634 8.5957 8.5957 8.6014 8.6014 8.7322 8.7322 9.1993 9.1993 9.5576 9.5576 9.8502 9.8502 9.9541 9.9541 10.0497 10.0497 10.1663 10.1663 10.2806 10.2806 10.5068 10.5068 10.9190 10.9190 11.1004 11.1004 k = 0.2667 0.4619-0.0000 ( 14096 PWs) bands (ev): -1.6528 -1.6528 -1.3786 -1.3786 -1.1071 -1.1071 -0.0169 -0.0169 0.3965 0.3965 0.5202 0.5202 4.4153 4.4153 4.4797 4.4797 4.5910 4.5910 4.7801 4.7801 5.1617 5.1617 5.3546 5.3546 5.3987 5.3987 5.6440 5.6440 5.8663 5.8663 5.9753 5.9753 6.3316 6.3316 6.4609 6.4609 6.6162 6.6162 6.7435 6.7435 6.8195 6.8195 7.4733 7.4733 7.4986 7.4986 7.6948 7.6948 7.9372 7.9372 8.1772 8.1772 8.2212 8.2212 8.5110 8.5110 8.5582 8.5582 8.5811 8.5811 8.6019 8.6019 8.7704 8.7704 9.1474 9.1474 9.5961 9.5961 9.8370 9.8370 9.9530 9.9530 10.0535 10.0535 10.1552 10.1552 10.2895 10.2895 10.4906 10.4906 10.8985 10.8985 11.1236 11.1236 k = 0.2533 0.4388-0.0000 ( 14090 PWs) bands (ev): -1.6848 -1.6848 -1.3498 -1.3498 -1.0988 -1.0988 -0.0064 -0.0064 0.3814 0.3814 0.5249 0.5249 4.3607 4.3607 4.4614 4.4614 4.5916 4.5916 4.8078 4.8078 5.2465 5.2465 5.3562 5.3562 5.3732 5.3732 5.6384 5.6384 5.8544 5.8544 5.9670 5.9670 6.3094 6.3094 6.4524 6.4524 6.6383 6.6383 6.7668 6.7668 6.8277 6.8277 7.4591 7.4591 7.4850 7.4850 7.7323 7.7323 7.9134 7.9134 8.1840 8.1840 8.2145 8.2145 8.5100 8.5100 8.5507 8.5507 8.5648 8.5648 8.6030 8.6030 8.8143 8.8143 9.0956 9.0956 9.6328 9.6328 9.8209 9.8209 9.9536 9.9536 10.0538 10.0538 10.1442 10.1442 10.2931 10.2931 10.4715 10.4715 10.8847 10.8847 11.1479 11.1479 k = 0.2400 0.4157-0.0000 ( 14064 PWs) bands (ev): -1.7170 -1.7170 -1.3205 -1.3205 -1.0897 -1.0897 0.0056 0.0056 0.3665 0.3665 0.5279 0.5279 4.3081 4.3081 4.4428 4.4428 4.5959 4.5959 4.8371 4.8371 5.3018 5.3018 5.3401 5.3401 5.3890 5.3890 5.6360 5.6360 5.8414 5.8414 5.9538 5.9538 6.2838 6.2838 6.4395 6.4395 6.6626 6.6626 6.7969 6.7969 6.8416 6.8416 7.4451 7.4451 7.4710 7.4710 7.7727 7.7727 7.8922 7.8922 8.1846 8.1846 8.2054 8.2054 8.5108 8.5108 8.5403 8.5403 8.5471 8.5471 8.6044 8.6044 8.8627 8.8627 9.0447 9.0447 9.6674 9.6674 9.8024 9.8024 9.9557 9.9557 10.0505 10.0505 10.1330 10.1330 10.2897 10.2897 10.4501 10.4501 10.8775 10.8775 11.1727 11.1727 k = 0.2267 0.3926-0.0000 ( 14064 PWs) bands (ev): -1.7490 -1.7490 -1.2910 -1.2910 -1.0802 -1.0802 0.0188 0.0188 0.3519 0.3519 0.5294 0.5294 4.2577 4.2577 4.4240 4.4240 4.6035 4.6035 4.8676 4.8676 5.3050 5.3050 5.3183 5.3183 5.4526 5.4526 5.6383 5.6383 5.8308 5.8308 5.9359 5.9359 6.2560 6.2560 6.4231 6.4231 6.6887 6.6887 6.8240 6.8240 6.8694 6.8694 7.4314 7.4314 7.4567 7.4567 7.8159 7.8159 7.8736 7.8736 8.1789 8.1789 8.1947 8.1947 8.5135 8.5135 8.5263 8.5263 8.5280 8.5280 8.6062 8.6062 8.9146 8.9146 8.9960 8.9960 9.6998 9.6998 9.7820 9.7820 9.9589 9.9589 10.0438 10.0438 10.1213 10.1213 10.2780 10.2780 10.4270 10.4270 10.8756 10.8756 11.1970 11.1970 k = 0.2133 0.3695-0.0000 ( 14084 PWs) bands (ev): -1.7805 -1.7805 -1.2615 -1.2615 -1.0702 -1.0702 0.0330 0.0330 0.3376 0.3376 0.5295 0.5295 4.2097 4.2097 4.4055 4.4055 4.6143 4.6143 4.8987 4.8987 5.2768 5.2768 5.3132 5.3132 5.5112 5.5112 5.6480 5.6480 5.8285 5.8285 5.9148 5.9148 6.2278 6.2278 6.4043 6.4043 6.7161 6.7161 6.8430 6.8430 6.9141 6.9141 7.4180 7.4180 7.4423 7.4423 7.8577 7.8577 7.8619 7.8619 8.1678 8.1678 8.1827 8.1827 8.5069 8.5069 8.5078 8.5078 8.5185 8.5185 8.6081 8.6081 8.9482 8.9482 8.9709 8.9709 9.7289 9.7289 9.7607 9.7607 9.9630 9.9630 10.0340 10.0340 10.1091 10.1091 10.2572 10.2572 10.4029 10.4029 10.8776 10.8776 11.2202 11.2202 k = 0.2000 0.3464-0.0000 ( 14088 PWs) bands (ev): -1.8112 -1.8112 -1.2321 -1.2321 -1.0601 -1.0601 0.0481 0.0481 0.3237 0.3237 0.5283 0.5283 4.1644 4.1644 4.3874 4.3874 4.6280 4.6280 4.9299 4.9299 5.2467 5.2467 5.3068 5.3068 5.5434 5.5434 5.6623 5.6623 5.8404 5.8404 5.8969 5.8969 6.2020 6.2020 6.3843 6.3843 6.7440 6.7440 6.8596 6.8596 6.9676 6.9676 7.4050 7.4050 7.4279 7.4279 7.8446 7.8446 7.9104 7.9104 8.1530 8.1530 8.1689 8.1689 8.4844 8.4844 8.4849 8.4849 8.5242 8.5242 8.6104 8.6104 8.9079 8.9079 9.0251 9.0251 9.7322 9.7322 9.7613 9.7613 9.9678 9.9678 10.0219 10.0219 10.0963 10.0963 10.2274 10.2274 10.3782 10.3782 10.8818 10.8818 11.2414 11.2414 k = 0.1867 0.3233-0.0000 ( 14090 PWs) bands (ev): -1.8408 -1.8408 -1.2031 -1.2031 -1.0499 -1.0499 0.0638 0.0638 0.3103 0.3103 0.5260 0.5260 4.1216 4.1216 4.3699 4.3699 4.6444 4.6444 4.9607 4.9607 5.2179 5.2179 5.2989 5.2989 5.5526 5.5526 5.6676 5.6676 5.8379 5.8379 5.9159 5.9159 6.1832 6.1832 6.3642 6.3642 6.7715 6.7715 6.8765 6.8765 7.0255 7.0255 7.3926 7.3926 7.4138 7.4138 7.8340 7.8340 7.9614 7.9614 8.1363 8.1363 8.1534 8.1534 8.4562 8.4562 8.4607 8.4607 8.5309 8.5309 8.6128 8.6128 8.8715 8.8715 9.0802 9.0802 9.7080 9.7080 9.7857 9.7857 9.9724 9.9724 10.0086 10.0086 10.0831 10.0831 10.1892 10.1892 10.3537 10.3537 10.8867 10.8867 11.2603 11.2603 k = 0.1733 0.3002-0.0000 ( 14090 PWs) bands (ev): -1.8692 -1.8692 -1.1747 -1.1747 -1.0398 -1.0398 0.0797 0.0797 0.2975 0.2975 0.5228 0.5228 4.0816 4.0816 4.3532 4.3532 4.6632 4.6632 4.9903 4.9903 5.1912 5.1912 5.2899 5.2899 5.5495 5.5495 5.6607 5.6607 5.8105 5.8105 5.9666 5.9666 6.1804 6.1804 6.3449 6.3449 6.7978 6.7978 6.8941 6.8941 7.0857 7.0857 7.3806 7.3806 7.4001 7.4001 7.8258 7.8258 8.0140 8.0140 8.1189 8.1189 8.1366 8.1366 8.4227 8.4227 8.4349 8.4349 8.5382 8.5382 8.6154 8.6154 8.8403 8.8403 9.1340 9.1340 9.6816 9.6816 9.8089 9.8089 9.9728 9.9728 9.9980 9.9980 10.0697 10.0697 10.1443 10.1443 10.3302 10.3302 10.8913 10.8913 11.2771 11.2771 k = 0.1600 0.2771-0.0000 ( 14080 PWs) bands (ev): -1.8962 -1.8962 -1.1471 -1.1471 -1.0298 -1.0298 0.0958 0.0958 0.2854 0.2854 0.5189 0.5189 4.0443 4.0443 4.3374 4.3374 4.6841 4.6841 5.0174 5.0174 5.1681 5.1681 5.2800 5.2800 5.5400 5.5400 5.6464 5.6464 5.7769 5.7769 6.0053 6.0053 6.2083 6.2083 6.3272 6.3272 6.8224 6.8224 6.9124 6.9124 7.1467 7.1467 7.3692 7.3692 7.3872 7.3872 7.8197 7.8197 8.0646 8.0646 8.1034 8.1034 8.1207 8.1207 8.3850 8.3850 8.4074 8.4074 8.5457 8.5457 8.6181 8.6181 8.8143 8.8143 9.1854 9.1854 9.6544 9.6544 9.8297 9.8297 9.9615 9.9615 9.9953 9.9953 10.0561 10.0561 10.0968 10.0968 10.3084 10.3084 10.8951 10.8951 11.2924 11.2924 k = 0.1467 0.2540-0.0000 ( 14074 PWs) bands (ev): -1.9216 -1.9216 -1.1207 -1.1207 -1.0202 -1.0202 0.1116 0.1116 0.2740 0.2740 0.5145 0.5145 4.0098 4.0098 4.3227 4.3227 4.7069 4.7069 5.0397 5.0397 5.1504 5.1504 5.2692 5.2692 5.5270 5.5270 5.6281 5.6281 5.7412 5.7412 6.0196 6.0196 6.2682 6.2682 6.3136 6.3136 6.8448 6.8448 6.9312 6.9312 7.2075 7.2075 7.3584 7.3584 7.3751 7.3751 7.8154 7.8154 8.0761 8.0761 8.0952 8.0952 8.1383 8.1383 8.3441 8.3441 8.3783 8.3783 8.5531 8.5531 8.6209 8.6209 8.7929 8.7929 9.2331 9.2331 9.6267 9.6267 9.8476 9.8476 9.9427 9.9427 9.9835 9.9835 10.0421 10.0421 10.0620 10.0620 10.2891 10.2891 10.8979 10.8979 11.3065 11.3065 k = 0.1333 0.2309-0.0000 ( 14092 PWs) bands (ev): -1.9452 -1.9452 -1.0955 -1.0955 -1.0109 -1.0109 0.1269 0.1269 0.2634 0.2634 0.5098 0.5098 3.9780 3.9780 4.3090 4.3090 4.7313 4.7313 5.0532 5.0532 5.1419 5.1419 5.2578 5.2578 5.5118 5.5118 5.6076 5.6076 5.7047 5.7047 6.0209 6.0209 6.2925 6.2925 6.3565 6.3565 6.8649 6.8649 6.9503 6.9503 7.2667 7.2667 7.3483 7.3483 7.3642 7.3642 7.8127 7.8127 8.0608 8.0608 8.0784 8.0784 8.1929 8.1929 8.3015 8.3015 8.3482 8.3482 8.5602 8.5602 8.6237 8.6237 8.7755 8.7755 9.2764 9.2764 9.5993 9.5993 9.8608 9.8608 9.9185 9.9185 9.9438 9.9438 10.0310 10.0310 10.0574 10.0574 10.2727 10.2727 10.9000 10.9000 11.3196 11.3196 k = 0.1200 0.2078-0.0000 ( 14106 PWs) bands (ev): -1.9670 -1.9670 -1.0719 -1.0719 -1.0021 -1.0021 0.1415 0.1415 0.2536 0.2536 0.5051 0.5051 3.9492 3.9492 4.2965 4.2965 4.7570 4.7570 5.0553 5.0553 5.1446 5.1446 5.2459 5.2459 5.4956 5.4956 5.5860 5.5860 5.6686 5.6686 6.0190 6.0190 6.2824 6.2824 6.4422 6.4422 6.8825 6.8825 6.9696 6.9696 7.3216 7.3216 7.3409 7.3409 7.3546 7.3546 7.8110 7.8110 8.0446 8.0446 8.0609 8.0609 8.2469 8.2469 8.2595 8.2595 8.3209 8.3209 8.5669 8.5669 8.6265 8.6265 8.7613 8.7613 9.3144 9.3144 9.5723 9.5723 9.8532 9.8532 9.8832 9.8832 9.9150 9.9150 10.0203 10.0203 10.0706 10.0706 10.2593 10.2593 10.9015 10.9015 11.3314 11.3314 k = 0.1067 0.1848-0.0000 ( 14090 PWs) bands (ev): -1.9867 -1.9867 -1.0500 -1.0500 -0.9939 -0.9939 0.1551 0.1551 0.2447 0.2447 0.5005 0.5005 3.9232 3.9232 4.2851 4.2851 4.7834 4.7834 5.0498 5.0498 5.1537 5.1537 5.2342 5.2342 5.4791 5.4791 5.5648 5.5648 5.6339 5.6339 6.0171 6.0171 6.2736 6.2736 6.5291 6.5291 6.8976 6.8976 6.9891 6.9891 7.3282 7.3282 7.3460 7.3460 7.3797 7.3797 7.8101 7.8101 8.0293 8.0293 8.0442 8.0442 8.2161 8.2161 8.2645 8.2645 8.3328 8.3328 8.5731 8.5731 8.6291 8.6291 8.7497 8.7497 9.3468 9.3468 9.5463 9.5463 9.7945 9.7945 9.8662 9.8662 9.9106 9.9106 10.0102 10.0102 10.0903 10.0903 10.2491 10.2491 10.9026 10.9026 11.3421 11.3421 k = 0.0933 0.1617-0.0000 ( 14090 PWs) bands (ev): -2.0043 -2.0043 -1.0302 -1.0302 -0.9864 -0.9864 0.1675 0.1675 0.2367 0.2367 0.4961 0.4961 3.9002 3.9002 4.2751 4.2751 4.8100 4.8100 5.0427 5.0427 5.1621 5.1621 5.2233 5.2233 5.4625 5.4625 5.5453 5.5453 5.6016 5.6016 6.0160 6.0160 6.2671 6.2671 6.6126 6.6126 6.9105 6.9105 7.0089 7.0089 7.3208 7.3208 7.3389 7.3389 7.4291 7.4291 7.8096 7.8096 8.0152 8.0152 8.0288 8.0288 8.1762 8.1762 8.2360 8.2360 8.3895 8.3895 8.5786 8.5786 8.6317 8.6317 8.7402 8.7402 9.3732 9.3732 9.5213 9.5213 9.7261 9.7261 9.8454 9.8454 9.9164 9.9164 10.0013 10.0013 10.1131 10.1131 10.2419 10.2419 10.9035 10.9035 11.3515 11.3515 k = 0.0800 0.1386-0.0000 ( 14090 PWs) bands (ev): -2.0198 -2.0198 -1.0126 -1.0126 -0.9796 -0.9796 0.1785 0.1785 0.2297 0.2297 0.4922 0.4922 3.8802 3.8802 4.2663 4.2663 4.8361 4.8361 5.0372 5.0372 5.1654 5.1654 5.2140 5.2140 5.4462 5.4462 5.5288 5.5288 5.5725 5.5725 6.0155 6.0155 6.2627 6.2627 6.6895 6.6895 6.9211 6.9211 7.0292 7.0292 7.3144 7.3144 7.3328 7.3328 7.4740 7.4740 7.8092 7.8092 8.0023 8.0024 8.0151 8.0151 8.1394 8.1394 8.2023 8.2023 8.4515 8.4515 8.5835 8.5835 8.6340 8.6340 8.7325 8.7325 9.3935 9.3935 9.4973 9.4973 9.6585 9.6585 9.8231 9.8231 9.9231 9.9231 9.9940 9.9940 10.1370 10.1370 10.2373 10.2373 10.9042 10.9042 11.3597 11.3597 k = 0.0667 0.1155-0.0000 ( 14102 PWs) bands (ev): -2.0330 -2.0330 -0.9975 -0.9975 -0.9736 -0.9736 0.1879 0.1879 0.2237 0.2237 0.4888 0.4888 3.8632 3.8632 4.2588 4.2588 4.8607 4.8607 5.0351 5.0351 5.1626 5.1626 5.2057 5.2057 5.4309 5.4309 5.5162 5.5162 5.5474 5.5474 6.0153 6.0153 6.2603 6.2603 6.7571 6.7571 6.9298 6.9298 7.0505 7.0505 7.3095 7.3095 7.3278 7.3278 7.5131 7.5131 7.8087 7.8087 7.9909 7.9909 8.0034 8.0034 8.1067 8.1067 8.1689 8.1689 8.5133 8.5133 8.5877 8.5877 8.6361 8.6361 8.7262 8.7262 9.4065 9.4065 9.4741 9.4741 9.5965 9.5965 9.8018 9.8018 9.9286 9.9286 9.9884 9.9884 10.1603 10.1603 10.2351 10.2351 10.9048 10.9048 11.3667 11.3667 k = 0.0533 0.0924-0.0000 ( 14086 PWs) bands (ev): -2.0439 -2.0439 -0.9851 -0.9851 -0.9684 -0.9684 0.1958 0.1958 0.2187 0.2187 0.4860 0.4860 3.8492 3.8492 4.2526 4.2526 4.8823 4.8823 5.0378 5.0378 5.1559 5.1559 5.1958 5.1958 5.4177 5.4177 5.5075 5.5075 5.5267 5.5267 6.0152 6.0152 6.2593 6.2593 6.8128 6.8128 6.9367 6.9367 7.0726 7.0726 7.3064 7.3064 7.3238 7.3238 7.5458 7.5458 7.8078 7.8078 7.9809 7.9809 7.9936 7.9936 8.0788 8.0788 8.1381 8.1381 8.5725 8.5725 8.5911 8.5911 8.6378 8.6378 8.7212 8.7212 9.4067 9.4067 9.4545 9.4545 9.5461 9.5461 9.7827 9.7827 9.9322 9.9322 9.9847 9.9847 10.1814 10.1814 10.2349 10.2349 10.9053 10.9053 11.3726 11.3726 k = 0.0400 0.0693-0.0000 ( 14069 PWs) bands (ev): -2.0524 -2.0524 -0.9756 -0.9756 -0.9639 -0.9639 0.2019 0.2019 0.2148 0.2148 0.4838 0.4838 3.8382 3.8382 4.2478 4.2478 4.8996 4.8996 5.0460 5.0460 5.1483 5.1483 5.1820 5.1820 5.4074 5.4074 5.5020 5.5020 5.5107 5.5107 6.0150 6.0150 6.2592 6.2592 6.8551 6.8551 6.9419 6.9419 7.0944 7.0944 7.3051 7.3051 7.3208 7.3208 7.5715 7.5715 7.8065 7.8065 7.9725 7.9725 7.9857 7.9857 8.0563 8.0563 8.1118 8.1118 8.5938 8.5938 8.6265 8.6265 8.6393 8.6393 8.7174 8.7174 9.3839 9.3839 9.4476 9.4476 9.5123 9.5123 9.7668 9.7668 9.9342 9.9342 9.9826 9.9826 10.1983 10.1983 10.2365 10.2365 10.9058 10.9058 11.3772 11.3772 k = 0.0267 0.0462-0.0000 ( 14057 PWs) bands (ev): -2.0585 -2.0585 -0.9693 -0.9693 -0.9601 -0.9601 0.2063 0.2063 0.2121 0.2121 0.4822 0.4822 3.8304 3.8304 4.2443 4.2443 4.9116 4.9116 5.0592 5.0592 5.1417 5.1417 5.1649 5.1649 5.4003 5.4003 5.4977 5.4977 5.5005 5.5005 6.0149 6.0149 6.2596 6.2596 6.8837 6.8837 6.9456 6.9456 7.1134 7.1134 7.3055 7.3055 7.3186 7.3186 7.5899 7.5899 7.8051 7.8051 7.9659 7.9659 7.9798 7.9798 8.0399 8.0399 8.0919 8.0919 8.5957 8.5957 8.6403 8.6403 8.6713 8.6713 8.7148 8.7148 9.3504 9.3504 9.4475 9.4475 9.4937 9.4937 9.7548 9.7548 9.9351 9.9351 9.9817 9.9817 10.2097 10.2097 10.2396 10.2396 10.9061 10.9061 11.3805 11.3805 k = 0.0133 0.0231-0.0000 ( 14077 PWs) bands (ev): -2.0621 -2.0621 -0.9659 -0.9659 -0.9574 -0.9574 0.2089 0.2089 0.2104 0.2104 0.4813 0.4813 3.8257 3.8257 4.2423 4.2423 4.9184 4.9184 5.0743 5.0743 5.1372 5.1372 5.1475 5.1475 5.3962 5.3962 5.4916 5.4916 5.4983 5.4983 6.0148 6.0148 6.2600 6.2600 6.9000 6.9000 6.9479 6.9479 7.1265 7.1265 7.3065 7.3065 7.3174 7.3174 7.6008 7.6008 7.8039 7.8039 7.9617 7.9617 7.9760 7.9760 8.0300 8.0300 8.0797 8.0797 8.5969 8.5969 8.6409 8.6409 8.7014 8.7014 8.7135 8.7135 9.3236 9.3236 9.4475 9.4475 9.4852 9.4852 9.7474 9.7474 9.9353 9.9353 9.9814 9.9814 10.2156 10.2156 10.2430 10.2430 10.9062 10.9062 11.3825 11.3825 k = 0.0000 0.0000 0.0000 ( 14071 PWs) bands (ev): -2.0634 -2.0634 -0.9649 -0.9649 -0.9564 -0.9564 0.2097 0.2097 0.2099 0.2099 0.4810 0.4810 3.8241 3.8241 4.2416 4.2416 4.9206 4.9206 5.0825 5.0825 5.1356 5.1356 5.1387 5.1387 5.3949 5.3949 5.4893 5.4893 5.4978 5.4978 6.0147 6.0147 6.2602 6.2602 6.9052 6.9052 6.9486 6.9486 7.1311 7.1311 7.3071 7.3071 7.3170 7.3170 7.6045 7.6045 7.8034 7.8034 7.9602 7.9602 7.9747 7.9747 8.0266 8.0266 8.0755 8.0755 8.5973 8.5973 8.6411 8.6411 8.7108 8.7108 8.7145 8.7145 9.3136 9.3136 9.4474 9.4474 9.4828 9.4828 9.7449 9.7449 9.9353 9.9353 9.9814 9.9814 10.2173 10.2173 10.2445 10.2445 10.9063 10.9063 11.3832 11.3832 k = 0.0000 0.0000 0.0000 ( 14071 PWs) bands (ev): -2.0634 -2.0634 -0.9649 -0.9649 -0.9564 -0.9564 0.2097 0.2097 0.2099 0.2099 0.4810 0.4810 3.8241 3.8241 4.2416 4.2416 4.9206 4.9206 5.0825 5.0825 5.1356 5.1356 5.1387 5.1387 5.3949 5.3949 5.4893 5.4893 5.4978 5.4978 6.0147 6.0147 6.2602 6.2602 6.9052 6.9052 6.9486 6.9486 7.1311 7.1311 7.3071 7.3071 7.3170 7.3170 7.6045 7.6045 7.8034 7.8034 7.9602 7.9602 7.9747 7.9747 8.0266 8.0266 8.0755 8.0755 8.5973 8.5973 8.6411 8.6411 8.7108 8.7108 8.7145 8.7145 9.3136 9.3136 9.4474 9.4474 9.4828 9.4828 9.7449 9.7449 9.9353 9.9353 9.9814 9.9814 10.2173 10.2173 10.2445 10.2445 10.9063 10.9063 11.3832 11.3832 k = 0.0000 0.0000 0.0264 ( 14071 PWs) bands (ev): -2.0619 -2.0619 -0.9639 -0.9639 -0.9555 -0.9555 0.2091 0.2091 0.2093 0.2093 0.4776 0.4776 3.8260 3.8260 4.2448 4.2448 4.9054 4.9054 5.0480 5.0480 5.1453 5.1453 5.1626 5.1626 5.4089 5.4089 5.4885 5.4885 5.5039 5.5039 6.0147 6.0147 6.2605 6.2605 6.9051 6.9051 6.9502 6.9502 7.1312 7.1312 7.3063 7.3063 7.3165 7.3165 7.5834 7.5834 7.7987 7.7987 7.9610 7.9610 7.9754 7.9754 8.0501 8.0501 8.0775 8.0775 8.6001 8.6001 8.6370 8.6370 8.7099 8.7099 8.7134 8.7134 9.3116 9.3116 9.4487 9.4487 9.4833 9.4833 9.7474 9.7474 9.9347 9.9347 9.9808 9.9808 10.2189 10.2189 10.2462 10.2462 10.9105 10.9105 11.3830 11.3830 k = 0.0000 0.0000 0.0528 ( 14059 PWs) bands (ev): -2.0576 -2.0576 -0.9611 -0.9611 -0.9527 -0.9527 0.2072 0.2072 0.2074 0.2074 0.4677 0.4677 3.8315 3.8315 4.2544 4.2544 4.8678 4.8678 4.9900 4.9900 5.1668 5.1668 5.1919 5.1919 5.4479 5.4479 5.4859 5.4859 5.5225 5.5225 6.0148 6.0148 6.2614 6.2614 6.9049 6.9049 6.9550 6.9550 7.1316 7.1316 7.3038 7.3038 7.3151 7.3151 7.5283 7.5283 7.7891 7.7891 7.9633 7.9633 7.9778 7.9778 8.0827 8.0827 8.1091 8.1091 8.6086 8.6086 8.6248 8.6248 8.7071 8.7071 8.7103 8.7103 9.3055 9.3055 9.4524 9.4524 9.4851 9.4851 9.7546 9.7546 9.9329 9.9329 9.9791 9.9791 10.2236 10.2236 10.2513 10.2513 10.9230 10.9230 11.3822 11.3822 k = 0.0000 0.0000 0.0792 ( 14047 PWs) bands (ev): -2.0505 -2.0505 -0.9564 -0.9564 -0.9479 -0.9479 0.2042 0.2042 0.2043 0.2043 0.4512 0.4512 3.8406 3.8406 4.2704 4.2704 4.8190 4.8190 4.9273 4.9273 5.1884 5.1884 5.2149 5.2149 5.4815 5.4815 5.5044 5.5044 5.5535 5.5535 6.0148 6.0148 6.2629 6.2629 6.9046 6.9046 6.9628 6.9628 7.1324 7.1324 7.2999 7.2999 7.3130 7.3130 7.4531 7.4531 7.7774 7.7774 7.9671 7.9671 7.9817 7.9817 8.0930 8.0930 8.1847 8.1847 8.6049 8.6049 8.6227 8.6227 8.7025 8.7025 8.7052 8.7052 9.2951 9.2951 9.4586 9.4586 9.4887 9.4887 9.7662 9.7662 9.9300 9.9300 9.9764 9.9764 10.2314 10.2314 10.2597 10.2597 10.9434 10.9434 11.3807 11.3807 k = 0.0000 0.0000 0.1056 ( 14059 PWs) bands (ev): -2.0405 -2.0405 -0.9498 -0.9498 -0.9414 -0.9414 0.1998 0.1998 0.1999 0.1999 0.4284 0.4284 3.8534 3.8534 4.2924 4.2924 4.7657 4.7657 4.8640 4.8640 5.2042 5.2042 5.2347 5.2347 5.4751 5.4751 5.5713 5.5713 5.5960 5.5960 6.0150 6.0150 6.2650 6.2650 6.9043 6.9043 6.9736 6.9736 7.1335 7.1335 7.2947 7.2947 7.3104 7.3104 7.3676 7.3676 7.7629 7.7629 7.9724 7.9724 7.9872 7.9872 8.1080 8.1080 8.2682 8.2682 8.5780 8.5780 8.6424 8.6424 8.6962 8.6962 8.6983 8.6983 9.2804 9.2804 9.4670 9.4670 9.4949 9.4949 9.7815 9.7815 9.9263 9.9263 9.9730 9.9730 10.2423 10.2423 10.2715 10.2715 10.9709 10.9709 11.3783 11.3783 k = 0.0000 0.0000 0.1320 ( 14071 PWs) bands (ev): -2.0277 -2.0277 -0.9414 -0.9414 -0.9330 -0.9330 0.1941 0.1941 0.1941 0.1941 0.3996 0.3996 3.8699 3.8699 4.3202 4.3202 4.7114 4.7114 4.8019 4.8019 5.2129 5.2129 5.2541 5.2541 5.4665 5.4665 5.6434 5.6434 5.6478 5.6478 6.0153 6.0153 6.2675 6.2675 6.9043 6.9043 6.9872 6.9872 7.1352 7.1352 7.2766 7.2766 7.2887 7.2887 7.3077 7.3077 7.7444 7.7444 7.9791 7.9791 7.9942 7.9942 8.1283 8.1283 8.3552 8.3552 8.5447 8.5447 8.6675 8.6675 8.6882 8.6882 8.6896 8.6896 9.2617 9.2617 9.4776 9.4776 9.5039 9.5039 9.7998 9.7998 9.9219 9.9219 9.9691 9.9691 10.2562 10.2562 10.2864 10.2864 11.0047 11.0047 11.3745 11.3745 k = 0.0000 0.0000 0.1584 ( 14047 PWs) bands (ev): -2.0121 -2.0121 -0.9311 -0.9311 -0.9227 -0.9227 0.1870 0.1870 0.1871 0.1871 0.3651 0.3651 3.8898 3.8898 4.3534 4.3534 4.6578 4.6578 4.7421 4.7421 5.2150 5.2150 5.2745 5.2745 5.4556 5.4556 5.7059 5.7059 5.7178 5.7178 6.0159 6.0159 6.2705 6.2705 6.9046 6.9046 7.0033 7.0033 7.1374 7.1374 7.1829 7.1829 7.2821 7.2821 7.3052 7.3052 7.7212 7.7212 7.9872 7.9872 8.0025 8.0025 8.1542 8.1542 8.4437 8.4437 8.5059 8.5059 8.6787 8.6787 8.6793 8.6793 8.6981 8.6981 9.2400 9.2400 9.4900 9.4900 9.5158 9.5158 9.8201 9.8201 9.9172 9.9172 9.9652 9.9652 10.2732 10.2732 10.3044 10.3044 11.0439 11.0439 11.3692 11.3692 k = 0.0000 0.0000 0.1848 ( 14064 PWs) bands (ev): -1.9937 -1.9937 -0.9190 -0.9190 -0.9107 -0.9107 0.1785 0.1785 0.1786 0.1786 0.3253 0.3253 3.9133 3.9133 4.3918 4.3918 4.6062 4.6062 4.6855 4.6855 5.2115 5.2115 5.2968 5.2968 5.4420 5.4420 5.7679 5.7679 5.7922 5.7922 6.0168 6.0168 6.2738 6.2738 6.9050 6.9050 7.0216 7.0216 7.0883 7.0883 7.1403 7.1403 7.2756 7.2756 7.3035 7.3035 7.6930 7.6930 7.9967 7.9967 8.0123 8.0123 8.1853 8.1853 8.4624 8.4624 8.5325 8.5325 8.6676 8.6676 8.6677 8.6677 8.7340 8.7340 9.2162 9.2162 9.5040 9.5040 9.5302 9.5302 9.8417 9.8417 9.9125 9.9125 9.9617 9.9617 10.2930 10.2930 10.3254 10.3254 11.0877 11.0877 11.3621 11.3621 k = 0.0000 0.0000 0.2112 ( 14070 PWs) bands (ev): -1.9725 -1.9725 -0.9051 -0.9051 -0.8968 -0.8968 0.1685 0.1685 0.1687 0.1687 0.2808 0.2808 3.9403 3.9403 4.4349 4.4349 4.5573 4.5573 4.6325 4.6325 5.2032 5.2032 5.3213 5.3213 5.4256 5.4256 5.8317 5.8317 5.8652 5.8652 6.0183 6.0183 6.2775 6.2775 6.9031 6.9031 6.9964 6.9964 7.0417 7.0417 7.1442 7.1442 7.2696 7.2696 7.3032 7.3032 7.6600 7.6600 8.0074 8.0074 8.0234 8.0234 8.2211 8.2211 8.4150 8.4150 8.6197 8.6197 8.6555 8.6555 8.6560 8.6560 8.7750 8.7750 9.1919 9.1919 9.5193 9.5193 9.5467 9.5467 9.8635 9.8635 9.9079 9.9079 9.9591 9.9591 10.3156 10.3156 10.3492 10.3492 11.1350 11.1350 11.3532 11.3532 k = 0.0000 0.0000 0.2376 ( 14070 PWs) bands (ev): -1.9486 -1.9486 -0.8894 -0.8894 -0.8812 -0.8812 0.1570 0.1570 0.1574 0.1574 0.2318 0.2318 3.9707 3.9707 4.4823 4.4823 4.5118 4.5118 4.5835 4.5835 5.1908 5.1908 5.3479 5.3479 5.4060 5.4060 5.8955 5.8955 5.9354 5.9354 6.0203 6.0203 6.2815 6.2815 6.8711 6.8711 6.9361 6.9361 7.0632 7.0632 7.1489 7.1489 7.2647 7.2647 7.3046 7.3046 7.6225 7.6225 8.0193 8.0193 8.0357 8.0357 8.2607 8.2607 8.3643 8.3643 8.6388 8.6388 8.6422 8.6422 8.7108 8.7108 8.8210 8.8210 9.1686 9.1686 9.5356 9.5356 9.5649 9.5649 9.8844 9.8844 9.9036 9.9036 9.9584 9.9584 10.3408 10.3408 10.3754 10.3754 11.1851 11.1851 11.3425 11.3425 k = 0.0000 0.0000 0.2640 ( 14058 PWs) bands (ev): -1.9220 -1.9220 -0.8720 -0.8720 -0.8639 -0.8639 0.1440 0.1440 0.1444 0.1444 0.1788 0.1788 4.0045 4.0045 4.4700 4.4700 4.5335 4.5335 4.5388 4.5388 5.1747 5.1747 5.3768 5.3768 5.3831 5.3831 5.9579 5.9579 6.0013 6.0013 6.0232 6.0232 6.2856 6.2856 6.7852 6.7852 6.9324 6.9324 7.0854 7.0854 7.1548 7.1548 7.2615 7.2615 7.3084 7.3084 7.5811 7.5811 8.0323 8.0323 8.0493 8.0493 8.3027 8.3027 8.3112 8.3112 8.6242 8.6242 8.6279 8.6279 8.7972 8.7972 8.8718 8.8718 9.1478 9.1478 9.5525 9.5525 9.5841 9.5841 9.8997 9.8997 9.9022 9.9022 9.9612 9.9612 10.3683 10.3683 10.4039 10.4039 11.2368 11.2368 11.3302 11.3302 k = 0.0000 0.0000 0.2904 ( 14070 PWs) bands (ev): -1.8927 -1.8927 -0.8530 -0.8530 -0.8450 -0.8450 0.1223 0.1223 0.1293 0.1293 0.1299 0.1299 4.0415 4.0415 4.4323 4.4323 4.4989 4.4989 4.5882 4.5882 5.1549 5.1549 5.3567 5.3567 5.4075 5.4075 6.0179 6.0179 6.0270 6.0270 6.0615 6.0615 6.2901 6.2901 6.6906 6.6906 6.9409 6.9409 7.1077 7.1077 7.1617 7.1617 7.2605 7.2605 7.3150 7.3150 7.5362 7.5362 8.0464 8.0464 8.0639 8.0639 8.2564 8.2564 8.3454 8.3454 8.6084 8.6084 8.6127 8.6127 8.8828 8.8828 8.9271 8.9271 9.1318 9.1318 9.5698 9.5698 9.6040 9.6040 9.8963 9.8963 9.9146 9.9146 9.9699 9.9699 10.3979 10.3979 10.4342 10.4342 11.2881 11.2881 11.3166 11.3166 k = 0.0000 0.0000 0.3168 ( 14094 PWs) bands (ev): -1.8607 -1.8607 -0.8323 -0.8323 -0.8244 -0.8244 0.0627 0.0627 0.1130 0.1130 0.1138 0.1138 4.0818 4.0818 4.3990 4.3990 4.4637 4.4637 4.6460 4.6460 5.1317 5.1317 5.3268 5.3268 5.4401 5.4401 6.0318 6.0318 6.0744 6.0744 6.1147 6.1147 6.2947 6.2947 6.5955 6.5955 6.9543 6.9543 7.1295 7.1295 7.1697 7.1697 7.2623 7.2623 7.3245 7.3245 7.4888 7.4888 8.0614 8.0614 8.0795 8.0795 8.2009 8.2009 8.3865 8.3865 8.5920 8.5920 8.5969 8.5969 8.9670 8.9670 8.9866 8.9866 9.1226 9.1226 9.5871 9.5871 9.6240 9.6240 9.8933 9.8933 9.9208 9.9208 9.9847 9.9847 10.4292 10.4292 10.4658 10.4658 11.3022 11.3022 11.3301 11.3365 k = 0.0000 0.0000 0.3432 ( 14112 PWs) bands (ev): -1.8262 -1.8262 -0.8101 -0.8101 -0.8022 -0.8022 0.0004 0.0004 0.0951 0.0951 0.0960 0.0960 4.1251 4.1251 4.3703 4.3703 4.4337 4.4337 4.7064 4.7064 5.1053 5.1053 5.2934 5.2934 5.4739 5.4739 6.0377 6.0377 6.1266 6.1266 6.1591 6.1591 6.2997 6.2997 6.5019 6.5019 6.9718 6.9718 7.1505 7.1505 7.1788 7.1788 7.2672 7.2672 7.3367 7.3367 7.4398 7.4398 8.0768 8.0768 8.0961 8.0961 8.1459 8.1459 8.4231 8.4231 8.5752 8.5752 8.5807 8.5807 9.0495 9.0495 9.0500 9.0500 9.1232 9.1232 9.6040 9.6040 9.6437 9.6437 9.8906 9.8906 9.9231 9.9231 10.0033 10.0033 10.4619 10.4619 10.4985 10.4985 11.2872 11.2872 11.3466 11.3495 k = 0.0000 0.0000 0.3696 ( 14100 PWs) bands (ev): -1.7891 -1.7891 -0.7863 -0.7863 -0.7786 -0.7786 -0.0642 -0.0642 0.0754 0.0754 0.0766 0.0766 4.1714 4.1714 4.3464 4.3464 4.4087 4.4087 4.7691 4.7691 5.0757 5.0757 5.2568 5.2568 5.5087 5.5087 6.0447 6.0447 6.1739 6.1739 6.1918 6.1918 6.3052 6.3052 6.4126 6.4126 6.9927 6.9927 7.1703 7.1703 7.1889 7.1889 7.2755 7.2755 7.3509 7.3509 7.3906 7.3906 8.0835 8.0835 8.1019 8.1019 8.1135 8.1135 8.4524 8.4524 8.5582 8.5582 8.5642 8.5642 9.1167 9.1167 9.1298 9.1298 9.1365 9.1365 9.6203 9.6203 9.6626 9.6626 9.8882 9.8882 9.9236 9.9236 10.0234 10.0234 10.4955 10.4955 10.5316 10.5316 11.2722 11.2723 11.3317 11.3321 k = 0.0000 0.0000 0.3960 ( 14082 PWs) bands (ev): -1.7495 -1.7495 -0.7611 -0.7611 -0.7535 -0.7535 -0.1307 -0.1307 0.0542 0.0542 0.0556 0.0556 4.2207 4.2207 4.3274 4.3274 4.3891 4.3891 4.8337 4.8337 5.0432 5.0432 5.2170 5.2170 5.5437 5.5437 6.0529 6.0529 6.2039 6.2039 6.2155 6.2155 6.3114 6.3114 6.3367 6.3367 7.0153 7.0153 7.1889 7.1889 7.1999 7.1999 7.2870 7.2870 7.3430 7.3430 7.3655 7.3655 8.0383 8.0383 8.1134 8.1134 8.1315 8.1315 8.4718 8.4718 8.5413 8.5413 8.5477 8.5477 9.1632 9.1632 9.1862 9.1862 9.2090 9.2090 9.6357 9.6357 9.6805 9.6805 9.8857 9.8857 9.9231 9.9231 10.0440 10.0440 10.5298 10.5298 10.5647 10.5647 11.2576 11.2576 11.3146 11.3147 k = 0.0000 0.0000 0.4225 ( 14082 PWs) bands (ev): -1.7075 -1.7075 -0.7345 -0.7345 -0.7270 -0.7270 -0.1987 -0.1987 0.0312 0.0312 0.0329 0.0329 4.2727 4.2727 4.3134 4.3134 4.3747 4.3747 4.8997 4.8997 5.0079 5.0079 5.1747 5.1747 5.5779 5.5779 6.0621 6.0621 6.1698 6.1698 6.2509 6.2509 6.3004 6.3004 6.3187 6.3187 7.0365 7.0365 7.2065 7.2065 7.2120 7.2120 7.3005 7.3005 7.3012 7.3012 7.3783 7.3783 7.9927 7.9927 8.1310 8.1310 8.1502 8.1502 8.4800 8.4800 8.5249 8.5249 8.5312 8.5312 9.2055 9.2055 9.2579 9.2579 9.2854 9.2854 9.6500 9.6500 9.6971 9.6971 9.8829 9.8829 9.9218 9.9218 10.0645 10.0645 10.5644 10.5644 10.5974 10.5974 11.2435 11.2435 11.2978 11.2978 k = 0.0000 0.0000 0.4489 ( 14076 PWs) bands (ev): -1.6630 -1.6630 -0.7065 -0.7065 -0.6992 -0.6992 -0.2680 -0.2680 0.0067 0.0067 0.0086 0.0086 4.3043 4.3043 4.3275 4.3275 4.3657 4.3657 4.9662 4.9662 4.9701 4.9701 5.1307 5.1307 5.6100 5.6100 6.0724 6.0724 6.0974 6.0974 6.2792 6.2792 6.2975 6.2975 6.3279 6.3279 7.0504 7.0504 7.2230 7.2230 7.2253 7.2253 7.2687 7.2687 7.3176 7.3176 7.3866 7.3866 7.9546 7.9546 8.1493 8.1493 8.1693 8.1693 8.4773 8.4773 8.5092 8.5092 8.5150 8.5150 9.2619 9.2619 9.3311 9.3311 9.3593 9.3593 9.6632 9.6632 9.7121 9.7121 9.8797 9.8797 9.9197 9.9197 10.0847 10.0847 10.5991 10.5991 10.6296 10.6296 11.2303 11.2303 11.2816 11.2816 k = 0.0000 0.0000 0.4753 ( 14076 PWs) bands (ev): -1.6163 -1.6163 -0.6774 -0.6774 -0.6702 -0.6702 -0.3382 -0.3382 -0.0194 -0.0194 -0.0172 -0.0172 4.3003 4.3003 4.3620 4.3620 4.3848 4.3848 4.9301 4.9301 5.0282 5.0282 5.0902 5.0902 5.6374 5.6374 6.0173 6.0173 6.0837 6.0837 6.2998 6.2998 6.2999 6.2999 6.3397 6.3397 7.0495 7.0495 7.2380 7.2380 7.2397 7.2397 7.2548 7.2548 7.3351 7.3351 7.3878 7.3878 7.9269 7.9269 8.1681 8.1681 8.1887 8.1887 8.4659 8.4659 8.4936 8.4936 8.4993 8.4993 9.3301 9.3301 9.4047 9.4047 9.4305 9.4305 9.6752 9.6752 9.7257 9.7257 9.8757 9.8757 9.9167 9.9167 10.1045 10.1045 10.6338 10.6338 10.6613 10.6613 11.2180 11.2180 11.2663 11.2663 k = 0.0000 0.0000 0.5017 ( 14058 PWs) bands (ev): -1.5673 -1.5673 -0.6471 -0.6471 -0.6401 -0.6401 -0.4090 -0.4090 -0.0469 -0.0469 -0.0445 -0.0445 4.3011 4.3011 4.3634 4.3634 4.4445 4.4445 4.8884 4.8884 5.0250 5.0250 5.1139 5.1139 5.6555 5.6555 5.9418 5.9418 6.0959 6.0959 6.2996 6.2996 6.3142 6.3142 6.3533 6.3533 7.0320 7.0320 7.2504 7.2504 7.2554 7.2554 7.2606 7.2606 7.3527 7.3527 7.3809 7.3809 7.9120 7.9120 8.1870 8.1870 8.2083 8.2083 8.4484 8.4484 8.4772 8.4772 8.4841 8.4841 9.4077 9.4077 9.4778 9.4778 9.4985 9.4985 9.6862 9.6862 9.7379 9.7379 9.8707 9.8707 9.9126 9.9126 10.1234 10.1234 10.6685 10.6685 10.6927 10.6927 11.2065 11.2065 11.2516 11.2516 k = 0.0000 0.0000 0.5281 ( 14070 PWs) bands (ev): -1.5160 -1.5160 -0.6158 -0.6158 -0.6090 -0.6090 -0.4803 -0.4803 -0.0758 -0.0758 -0.0731 -0.0731 4.3067 4.3067 4.3700 4.3700 4.5064 4.5064 4.8452 4.8452 4.9790 4.9790 5.1800 5.1800 5.6551 5.6551 5.8808 5.8808 6.1088 6.1088 6.2962 6.2962 6.3248 6.3248 6.3662 6.3662 7.0047 7.0047 7.2571 7.2571 7.2720 7.2720 7.2791 7.2791 7.3679 7.3679 7.3696 7.3696 7.9104 7.9104 8.2060 8.2060 8.2278 8.2278 8.4263 8.4263 8.4604 8.4604 8.4695 8.4695 9.4917 9.4917 9.5490 9.5490 9.5630 9.5630 9.6963 9.6963 9.7490 9.7490 9.8646 9.8646 9.9072 9.9072 10.1411 10.1411 10.7035 10.7035 10.7241 10.7241 11.1955 11.1955 11.2370 11.2370 k = 0.0000 0.0000 0.5545 ( 14082 PWs) bands (ev): -1.4627 -1.4627 -0.5836 -0.5836 -0.5769 -0.5769 -0.5516 -0.5516 -0.1060 -0.1060 -0.1030 -0.1030 4.3170 4.3170 4.3816 4.3816 4.5700 4.5700 4.8010 4.8010 4.9302 4.9302 5.2486 5.2486 5.6247 5.6247 5.8449 5.8449 6.1222 6.1222 6.2898 6.2898 6.3337 6.3337 6.3768 6.3768 6.9757 6.9757 7.2516 7.2516 7.2894 7.2894 7.3027 7.3027 7.3567 7.3567 7.3847 7.3847 7.9209 7.9209 8.2248 8.2248 8.2471 8.2471 8.4001 8.4001 8.4440 8.4440 8.4556 8.4556 9.5794 9.5794 9.6168 9.6168 9.6233 9.6233 9.7058 9.7058 9.7597 9.7597 9.8573 9.8573 9.9005 9.9005 10.1569 10.1569 10.7391 10.7391 10.7561 10.7561 11.1842 11.1842 11.2216 11.2217 k = 0.0000 0.0000 0.5809 ( 14070 PWs) bands (ev): -1.4074 -1.4074 -0.6230 -0.6230 -0.5504 -0.5504 -0.5440 -0.5440 -0.1373 -0.1373 -0.1341 -0.1341 4.3317 4.3317 4.3979 4.3979 4.6345 4.6345 4.7563 4.7563 4.8822 4.8822 5.3173 5.3173 5.5664 5.5664 5.8306 5.8306 6.1361 6.1361 6.2812 6.2812 6.3419 6.3419 6.3847 6.3847 6.9503 6.9503 7.2285 7.2285 7.3073 7.3073 7.3267 7.3267 7.3547 7.3547 7.3972 7.3972 7.9412 7.9412 8.2433 8.2433 8.2661 8.2661 8.3704 8.3704 8.4283 8.4283 8.4423 8.4423 9.6671 9.6671 9.6793 9.6793 9.6797 9.6797 9.7151 9.7151 9.7711 9.7711 9.8487 9.8487 9.8926 9.8926 10.1701 10.1701 10.7755 10.7755 10.7890 10.7890 11.1717 11.1717 11.2045 11.2045 k = 0.0000 0.0000 0.6073 ( 14058 PWs) bands (ev): -1.3501 -1.3501 -0.6939 -0.6939 -0.5167 -0.5167 -0.5104 -0.5104 -0.1697 -0.1697 -0.1661 -0.1661 4.3508 4.3508 4.4188 4.4188 4.6959 4.6959 4.7114 4.7114 4.8393 4.8393 5.3851 5.3851 5.4935 5.4935 5.8230 5.8230 6.1502 6.1502 6.2714 6.2714 6.3497 6.3497 6.3897 6.3897 6.9315 6.9315 7.1916 7.1916 7.3253 7.3253 7.3486 7.3486 7.3608 7.3608 7.4067 7.4067 7.9686 7.9686 8.2614 8.2614 8.2846 8.2846 8.3379 8.3379 8.4134 8.4134 8.4295 8.4295 9.7244 9.7244 9.7277 9.7277 9.7358 9.7358 9.7476 9.7476 9.7909 9.7909 9.8389 9.8389 9.8835 9.8835 10.1794 10.1794 10.8130 10.8130 10.8232 10.8232 11.1565 11.1565 11.1840 11.1840 k = 0.0000 0.0000 0.6337 ( 14076 PWs) bands (ev): -1.2909 -1.2909 -0.7644 -0.7644 -0.4823 -0.4823 -0.4763 -0.4763 -0.2029 -0.2029 -0.1990 -0.1990 4.3739 4.3739 4.4441 4.4441 4.6669 4.6669 4.7311 4.7311 4.8254 4.8254 5.4148 5.4148 5.4514 5.4514 5.8122 5.8122 6.1643 6.1643 6.2610 6.2610 6.3573 6.3573 6.3922 6.3922 6.9216 6.9216 7.1479 7.1479 7.3429 7.3429 7.3669 7.3669 7.3702 7.3702 7.4126 7.4126 8.0009 8.0009 8.2790 8.2790 8.3024 8.3024 8.3032 8.3032 8.3991 8.3991 8.4170 8.4170 9.7341 9.7341 9.7669 9.7669 9.7834 9.7834 9.7852 9.7852 9.8281 9.8281 9.8532 9.8532 9.8734 9.8734 10.1832 10.1832 10.8517 10.8517 10.8587 10.8587 11.1370 11.1370 11.1590 11.1590 k = 0.0000 0.0000 0.6601 ( 14076 PWs) bands (ev): -1.2300 -1.2300 -0.8342 -0.8342 -0.4474 -0.4474 -0.4417 -0.4417 -0.2369 -0.2369 -0.2327 -0.2327 4.4008 4.4008 4.4734 4.4734 4.6232 4.6232 4.7081 4.7081 4.8729 4.8729 5.3340 5.3340 5.5154 5.5154 5.7937 5.7937 6.1783 6.1783 6.2505 6.2505 6.3646 6.3646 6.3924 6.3924 6.9215 6.9215 7.1021 7.1021 7.3597 7.3597 7.3798 7.3798 7.3810 7.3810 7.4148 7.4148 8.0365 8.0365 8.2669 8.2669 8.2959 8.2959 8.3194 8.3194 8.3850 8.3850 8.4046 8.4046 9.7443 9.7443 9.7869 9.7869 9.8151 9.8151 9.8163 9.8163 9.8201 9.8201 9.8634 9.8634 9.9298 9.9298 10.1799 10.1799 10.8916 10.8916 10.8957 10.8957 11.1123 11.1123 11.1289 11.1289 k = 0.0000 0.0000 0.6865 ( 14094 PWs) bands (ev): -1.1675 -1.1675 -0.9031 -0.9031 -0.4123 -0.4123 -0.4068 -0.4068 -0.2714 -0.2714 -0.2670 -0.2670 4.4311 4.4311 4.5065 4.5065 4.5806 4.5806 4.6669 4.6669 4.9419 4.9419 5.2531 5.2531 5.5763 5.5763 5.7660 5.7660 6.1919 6.1919 6.2398 6.2398 6.3714 6.3714 6.3908 6.3908 6.9317 6.9317 7.0574 7.0574 7.3751 7.3751 7.3880 7.3880 7.3906 7.3906 7.4133 7.4133 8.0740 8.0740 8.2293 8.2293 8.3121 8.3121 8.3356 8.3356 8.3711 8.3711 8.3920 8.3920 9.7552 9.7552 9.7995 9.7995 9.8040 9.8040 9.8395 9.8395 9.8424 9.8424 9.8590 9.8590 10.0001 10.0001 10.1675 10.1675 10.9324 10.9324 10.9338 10.9338 11.0823 11.0823 11.0941 11.0941 k = 0.0000 0.0000 0.7129 ( 14064 PWs) bands (ev): -1.1034 -1.1034 -0.9711 -0.9711 -0.3770 -0.3770 -0.3717 -0.3717 -0.3064 -0.3064 -0.3017 -0.3017 4.4647 4.4647 4.5398 4.5398 4.5429 4.5429 4.6240 4.6240 5.0165 5.0165 5.1728 5.1728 5.6331 5.6331 5.7292 5.7292 6.2049 6.2049 6.2288 6.2288 6.3777 6.3777 6.3876 6.3876 6.9516 6.9516 7.0161 7.0161 7.3887 7.3887 7.3939 7.3939 7.3957 7.3957 7.4082 7.4082 8.1127 8.1127 8.1909 8.1909 8.3277 8.3277 8.3509 8.3509 8.3570 8.3570 8.3790 8.3790 9.7668 9.7668 9.7915 9.7915 9.8112 9.8112 9.8339 9.8339 9.8611 9.8611 9.8675 9.8675 10.0603 10.0603 10.1441 10.1441 10.9724 10.9724 10.9739 10.9739 11.0480 11.0480 11.0558 11.0558 k = 0.0000 0.0000 0.7393 ( 14064 PWs) bands (ev): -1.0379 -1.0379 -1.0379 -1.0379 -0.3416 -0.3416 -0.3416 -0.3416 -0.3366 -0.3366 -0.3366 -0.3366 4.5010 4.5010 4.5010 4.5010 4.5823 4.5823 4.5823 4.5823 5.0937 5.0937 5.0937 5.0937 5.6845 5.6845 5.6845 5.6845 6.2172 6.2172 6.2172 6.2172 6.3832 6.3832 6.3832 6.3832 6.9803 6.9803 6.9803 6.9803 7.3967 7.3967 7.3967 7.3967 7.3998 7.3998 7.3998 7.3998 8.1518 8.1518 8.1518 8.1518 8.3426 8.3426 8.3426 8.3426 8.3653 8.3653 8.3653 8.3653 9.7790 9.7790 9.7790 9.7790 9.8228 9.8228 9.8228 9.8228 9.8696 9.8696 9.8696 9.8696 10.1085 10.1085 10.1085 10.1085 11.0109 11.0109 11.0109 11.0109 11.0153 11.0153 11.0153 11.0153 k = 0.0000 0.0000 0.7393 ( 14064 PWs) bands (ev): -1.0379 -1.0379 -1.0379 -1.0379 -0.3416 -0.3416 -0.3416 -0.3416 -0.3366 -0.3366 -0.3366 -0.3366 4.5010 4.5010 4.5010 4.5010 4.5823 4.5823 4.5823 4.5823 5.0937 5.0937 5.0937 5.0937 5.6845 5.6845 5.6845 5.6845 6.2172 6.2172 6.2172 6.2172 6.3832 6.3832 6.3832 6.3832 6.9803 6.9803 6.9803 6.9803 7.3967 7.3967 7.3967 7.3967 7.3998 7.3998 7.3998 7.3998 8.1518 8.1518 8.1518 8.1518 8.3426 8.3426 8.3426 8.3426 8.3653 8.3653 8.3653 8.3653 9.7790 9.7790 9.7790 9.7790 9.8228 9.8228 9.8228 9.8228 9.8696 9.8696 9.8696 9.8696 10.1085 10.1085 10.1085 10.1085 11.0109 11.0109 11.0109 11.0109 11.0153 11.0153 11.0153 11.0153 k = 0.0227 0.0131 0.7393 ( 14068 PWs) bands (ev): -1.0370 -1.0370 -1.0370 -1.0370 -0.3422 -0.3422 -0.3422 -0.3422 -0.3372 -0.3372 -0.3372 -0.3372 4.4994 4.4994 4.4995 4.4995 4.5799 4.5799 4.5801 4.5801 5.0991 5.0991 5.0992 5.0992 5.6849 5.6849 5.6850 5.6850 6.2148 6.2148 6.2150 6.2150 6.3804 6.3804 6.3806 6.3806 6.9828 6.9828 6.9829 6.9829 7.3956 7.3956 7.3969 7.3969 7.4020 7.4020 7.4033 7.4033 8.1525 8.1525 8.1525 8.1525 8.3440 8.3440 8.3441 8.3441 8.3666 8.3666 8.3667 8.3667 9.7783 9.7783 9.7783 9.7783 9.8223 9.8223 9.8223 9.8223 9.8706 9.8706 9.8706 9.8706 10.1077 10.1077 10.1077 10.1077 11.0048 11.0048 11.0058 11.0058 11.0113 11.0113 11.0124 11.0124 k = 0.0455 0.0262 0.7393 ( 14092 PWs) bands (ev): -1.0343 -1.0343 -1.0343 -1.0343 -0.3440 -0.3440 -0.3438 -0.3438 -0.3390 -0.3390 -0.3388 -0.3388 4.4943 4.4943 4.4953 4.4953 4.5728 4.5728 4.5742 4.5742 5.1148 5.1148 5.1154 5.1154 5.6859 5.6859 5.6863 5.6863 6.2073 6.2073 6.2088 6.2088 6.3726 6.3726 6.3740 6.3740 6.9901 6.9901 6.9902 6.9902 7.3939 7.3939 7.3989 7.3989 7.4067 7.4067 7.4119 7.4119 8.1546 8.1546 8.1546 8.1546 8.3479 8.3479 8.3485 8.3485 8.3704 8.3704 8.3709 8.3709 9.7758 9.7758 9.7762 9.7762 9.8206 9.8206 9.8209 9.8209 9.8734 9.8734 9.8735 9.8735 10.1054 10.1054 10.1054 10.1054 10.9874 10.9874 10.9919 10.9919 10.9986 10.9986 11.0032 11.0032 k = 0.0682 0.0394 0.7393 ( 14078 PWs) bands (ev): -1.0299 -1.0299 -1.0299 -1.0299 -0.3472 -0.3472 -0.3465 -0.3465 -0.3420 -0.3420 -0.3413 -0.3413 4.4858 4.4858 4.4889 4.4889 4.5617 4.5617 4.5658 4.5658 5.1395 5.1395 5.1412 5.1412 5.6867 5.6867 5.6880 5.6880 6.1941 6.1941 6.1987 6.1987 6.3611 6.3611 6.3655 6.3655 7.0013 7.0013 7.0016 7.0016 7.3925 7.3925 7.4019 7.4019 7.4146 7.4146 7.4244 7.4244 8.1581 8.1581 8.1581 8.1581 8.3542 8.3542 8.3562 8.3562 8.3764 8.3764 8.3782 8.3782 9.7707 9.7707 9.7717 9.7717 9.8185 9.8185 9.8194 9.8194 9.8784 9.8784 9.8785 9.8785 10.1016 10.1016 10.1016 10.1016 10.9605 10.9605 10.9685 10.9685 10.9794 10.9794 10.9879 10.9879 k = 0.0909 0.0525 0.7393 ( 14088 PWs) bands (ev): -1.0237 -1.0237 -1.0237 -1.0237 -0.3518 -0.3518 -0.3505 -0.3505 -0.3459 -0.3459 -0.3445 -0.3445 4.4742 4.4742 4.4810 4.4810 4.5475 4.5475 4.5564 4.5564 5.1715 5.1715 5.1752 5.1752 5.6862 5.6862 5.6894 5.6894 6.1751 6.1751 6.1852 6.1852 6.3478 6.3478 6.3573 6.3573 7.0154 7.0154 7.0160 7.0160 7.3913 7.3913 7.4048 7.4048 7.4259 7.4259 7.4403 7.4403 8.1630 8.1630 8.1631 8.1631 8.3626 8.3626 8.3673 8.3673 8.3845 8.3845 8.3887 8.3887 9.7618 9.7618 9.7640 9.7640 9.8167 9.8167 9.8184 9.8184 9.8854 9.8854 9.8859 9.8859 10.0965 10.0965 10.0965 10.0965 10.9254 10.9254 10.9358 10.9358 10.9562 10.9562 10.9673 10.9673 k = 0.1136 0.0656 0.7393 ( 14064 PWs) bands (ev): -1.0158 -1.0158 -1.0158 -1.0158 -0.3580 -0.3580 -0.3560 -0.3560 -0.3504 -0.3504 -0.3484 -0.3484 4.4602 4.4602 4.4721 4.4721 4.5315 4.5315 4.5467 4.5467 5.2092 5.2092 5.2158 5.2158 5.6830 5.6830 5.6891 5.6891 6.1517 6.1517 6.1689 6.1689 6.3347 6.3347 6.3507 6.3507 7.0313 7.0313 7.0323 7.0323 7.3904 7.3904 7.4075 7.4075 7.4400 7.4400 7.4587 7.4587 8.1694 8.1694 8.1695 8.1695 8.3728 8.3728 8.3818 8.3818 8.3944 8.3944 8.4023 8.4023 9.7487 9.7487 9.7520 9.7520 9.8158 9.8158 9.8184 9.8184 9.8947 9.8947 9.8955 9.8955 10.0902 10.0902 10.0903 10.0903 10.8837 10.8837 10.8954 10.8954 10.9299 10.9299 10.9427 10.9427 k = 0.1364 0.0787 0.7393 ( 14074 PWs) bands (ev): -1.0062 -1.0062 -1.0062 -1.0062 -0.3657 -0.3657 -0.3633 -0.3633 -0.3552 -0.3552 -0.3528 -0.3528 4.4446 4.4446 4.4623 4.4623 4.5151 4.5151 4.5374 4.5374 5.2511 5.2511 5.2617 5.2617 5.6756 5.6756 5.6859 5.6859 6.1263 6.1263 6.1515 6.1515 6.3230 6.3230 6.3461 6.3461 7.0485 7.0485 7.0499 7.0499 7.3898 7.3898 7.4101 7.4101 7.4559 7.4559 7.4788 7.4788 8.1774 8.1774 8.1775 8.1775 8.3845 8.3845 8.3995 8.3995 8.4060 8.4060 8.4193 8.4193 9.7310 9.7310 9.7354 9.7354 9.8162 9.8162 9.8194 9.8194 9.9061 9.9061 9.9074 9.9074 10.0830 10.0830 10.0831 10.0831 10.8365 10.8365 10.8491 10.8491 10.9014 10.9014 10.9151 10.9151 k = 0.1591 0.0919 0.7393 ( 14076 PWs) bands (ev): -0.9950 -0.9950 -0.9950 -0.9950 -0.3750 -0.3750 -0.3725 -0.3725 -0.3602 -0.3602 -0.3577 -0.3577 4.4283 4.4283 4.4515 4.4515 4.4997 4.4997 4.5290 4.5290 5.2957 5.2957 5.3115 5.3115 5.6625 5.6625 5.6783 5.6783 6.1017 6.1017 6.1347 6.1347 6.3131 6.3131 6.3431 6.3431 7.0666 7.0666 7.0683 7.0683 7.3893 7.3893 7.4124 7.4124 7.4728 7.4728 7.4996 7.4996 8.1871 8.1871 8.1872 8.1872 8.3976 8.3976 8.4174 8.4174 8.4222 8.4222 8.4393 8.4393 9.7087 9.7087 9.7140 9.7140 9.8177 9.8177 9.8215 9.8215 9.9195 9.9195 9.9212 9.9212 10.0752 10.0752 10.0753 10.0753 10.7853 10.7853 10.7984 10.7984 10.8712 10.8712 10.8854 10.8854 k = 0.1818 0.1050 0.7393 ( 14066 PWs) bands (ev): -0.9822 -0.9822 -0.9821 -0.9821 -0.3859 -0.3859 -0.3833 -0.3833 -0.3654 -0.3654 -0.3628 -0.3628 4.4117 4.4117 4.4390 4.4390 4.4872 4.4872 4.5220 4.5220 5.3411 5.3411 5.3639 5.3639 5.6428 5.6428 5.6656 5.6656 6.0805 6.0805 6.1203 6.1203 6.3051 6.3051 6.3415 6.3415 7.0851 7.0851 7.0872 7.0872 7.3890 7.3890 7.4144 7.4144 7.4901 7.4901 7.5205 7.5205 8.1984 8.1984 8.1985 8.1985 8.4118 8.4118 8.4317 8.4317 8.4462 8.4462 8.4624 8.4624 9.6818 9.6818 9.6878 9.6878 9.8204 9.8204 9.8247 9.8247 9.9346 9.9346 9.9367 9.9367 10.0670 10.0670 10.0672 10.0672 10.7312 10.7312 10.7446 10.7446 10.8402 10.8402 10.8543 10.8543 k = 0.2045 0.1181 0.7393 ( 14054 PWs) bands (ev): -0.9679 -0.9679 -0.9678 -0.9678 -0.3983 -0.3983 -0.3958 -0.3958 -0.3707 -0.3707 -0.3681 -0.3681 4.3953 4.3953 4.4244 4.4244 4.4789 4.4789 4.5168 4.5168 5.3847 5.3847 5.4177 5.4177 5.6167 5.6167 5.6487 5.6487 6.0643 6.0643 6.1093 6.1093 6.2987 6.2987 6.3406 6.3406 7.1042 7.1042 7.1064 7.1064 7.3888 7.3888 7.4160 7.4160 7.5070 7.5070 7.5405 7.5405 8.2115 8.2115 8.2115 8.2115 8.4268 8.4268 8.4464 8.4464 8.4735 8.4735 8.4883 8.4883 9.6504 9.6504 9.6570 9.6570 9.8242 9.8242 9.8289 9.8289 9.9510 9.9510 9.9533 9.9533 10.0591 10.0591 10.0591 10.0591 10.6751 10.6751 10.6888 10.6888 10.8089 10.8089 10.8225 10.8225 k = 0.2273 0.1312 0.7393 ( 14062 PWs) bands (ev): -0.9521 -0.9521 -0.9520 -0.9520 -0.4123 -0.4123 -0.4098 -0.4098 -0.3760 -0.3760 -0.3735 -0.3735 4.3793 4.3793 4.4081 4.4081 4.4750 4.4750 4.5138 4.5138 5.4215 5.4215 5.4698 5.4698 5.5868 5.5868 5.6322 5.6322 6.0536 6.0536 6.1017 6.1017 6.2935 6.2935 6.3400 6.3400 7.1236 7.1236 7.1261 7.1261 7.3887 7.3887 7.4172 7.4172 7.5232 7.5232 7.5593 7.5593 8.2263 8.2263 8.2265 8.2265 8.4424 8.4424 8.4615 8.4615 8.5035 8.5035 8.5167 8.5167 9.6146 9.6146 9.6217 9.6217 9.8290 9.8290 9.8344 9.8344 9.9684 9.9684 9.9704 9.9704 10.0515 10.0515 10.0519 10.0519 10.6179 10.6179 10.6318 10.6318 10.7775 10.7775 10.7903 10.7903 k = 0.2500 0.1443 0.7393 ( 14086 PWs) bands (ev): -0.9350 -0.9350 -0.9349 -0.9349 -0.4278 -0.4278 -0.4254 -0.4254 -0.3813 -0.3813 -0.3789 -0.3789 4.3639 4.3639 4.3910 4.3910 4.4753 4.4753 4.5132 4.5132 5.4419 5.4419 5.5037 5.5037 5.5702 5.5702 5.6263 5.6263 6.0478 6.0478 6.0971 6.0971 6.2892 6.2892 6.3393 6.3393 7.1435 7.1435 7.1460 7.1460 7.3885 7.3885 7.4179 7.4179 7.5383 7.5383 7.5762 7.5762 8.2428 8.2428 8.2433 8.2433 8.4583 8.4583 8.4769 8.4769 8.5357 8.5357 8.5471 8.5471 9.5745 9.5745 9.5819 9.5819 9.8348 9.8348 9.8411 9.8411 9.9862 9.9862 9.9867 9.9867 10.0448 10.0448 10.0466 10.0466 10.5604 10.5604 10.5744 10.5744 10.7464 10.7464 10.7580 10.7580 k = 0.2727 0.1575 0.7393 ( 14100 PWs) bands (ev): -0.9166 -0.9166 -0.9165 -0.9165 -0.4446 -0.4446 -0.4424 -0.4424 -0.3864 -0.3864 -0.3842 -0.3842 4.3493 4.3493 4.3738 4.3738 4.4791 4.4791 4.5153 4.5153 5.4364 5.4364 5.4823 5.4823 5.6049 5.6049 5.6415 5.6415 6.0457 6.0457 6.0945 6.0945 6.2852 6.2852 6.3379 6.3379 7.1638 7.1638 7.1664 7.1664 7.3882 7.3882 7.4180 7.4180 7.5520 7.5520 7.5911 7.5911 8.2610 8.2610 8.2619 8.2619 8.4742 8.4742 8.4923 8.4923 8.5697 8.5697 8.5794 8.5794 9.5305 9.5305 9.5381 9.5381 9.8418 9.8418 9.8491 9.8491 9.9998 9.9998 10.0037 10.0037 10.0397 10.0397 10.0454 10.0454 10.5033 10.5033 10.5173 10.5173 10.7151 10.7151 10.7256 10.7257 k = 0.2955 0.1706 0.7393 ( 14108 PWs) bands (ev): -0.8970 -0.8970 -0.8969 -0.8969 -0.4628 -0.4628 -0.4607 -0.4607 -0.3914 -0.3914 -0.3893 -0.3893 4.3356 4.3356 4.3573 4.3573 4.4861 4.4861 4.5201 4.5201 5.4093 5.4093 5.4402 5.4402 5.6572 5.6572 5.6750 5.6750 6.0461 6.0461 6.0930 6.0930 6.2812 6.2812 6.3356 6.3356 7.1843 7.1843 7.1871 7.1871 7.3877 7.3877 7.4175 7.4175 7.5643 7.5643 7.6036 7.6036 8.2807 8.2807 8.2821 8.2821 8.4898 8.4898 8.5072 8.5072 8.6051 8.6051 8.6131 8.6131 9.4829 9.4829 9.4906 9.4906 9.8498 9.8498 9.8585 9.8585 10.0062 10.0062 10.0177 10.0177 10.0395 10.0395 10.0519 10.0519 10.4471 10.4471 10.4612 10.4612 10.6830 10.6830 10.6926 10.6926 k = 0.3182 0.1837 0.7393 ( 14100 PWs) bands (ev): -0.8765 -0.8765 -0.8763 -0.8763 -0.4822 -0.4822 -0.4802 -0.4802 -0.3960 -0.3960 -0.3942 -0.3942 4.3229 4.3229 4.3417 4.3417 4.4961 4.4961 4.5275 4.5275 5.3713 5.3713 5.3941 5.3941 5.7109 5.7109 5.7170 5.7170 6.0478 6.0478 6.0920 6.0920 6.2768 6.2768 6.3317 6.3317 7.2050 7.2050 7.2080 7.2080 7.3870 7.3870 7.4162 7.4162 7.5751 7.5751 7.6137 7.6137 8.3017 8.3017 8.3037 8.3037 8.5048 8.5048 8.5215 8.5215 8.6417 8.6417 8.6480 8.6480 9.4323 9.4323 9.4400 9.4400 9.8587 9.8587 9.8691 9.8691 10.0064 10.0064 10.0215 10.0215 10.0509 10.0509 10.0655 10.0655 10.3926 10.3926 10.4065 10.4065 10.6490 10.6490 10.6578 10.6578 k = 0.3409 0.1968 0.7393 ( 14108 PWs) bands (ev): -0.8550 -0.8550 -0.8547 -0.8547 -0.5026 -0.5026 -0.5008 -0.5008 -0.4002 -0.4002 -0.3986 -0.3986 4.3113 4.3113 4.3274 4.3274 4.5084 4.5084 4.5372 4.5372 5.3291 5.3291 5.3474 5.3474 5.7619 5.7619 5.7636 5.7636 6.0502 6.0502 6.0910 6.0910 6.2715 6.2715 6.3260 6.3260 7.2256 7.2256 7.2291 7.2291 7.3857 7.3857 7.4141 7.4141 7.5845 7.5845 7.6214 7.6214 8.3237 8.3237 8.3262 8.3262 8.5189 8.5189 8.5347 8.5347 8.6791 8.6791 8.6838 8.6838 9.3792 9.3792 9.3868 9.3868 9.8687 9.8687 9.8810 9.8810 10.0043 10.0043 10.0202 10.0202 10.0687 10.0687 10.0823 10.0823 10.3402 10.3402 10.3539 10.3539 10.6123 10.6123 10.6205 10.6205 k = 0.3636 0.2099 0.7393 ( 14108 PWs) bands (ev): -0.8328 -0.8328 -0.8325 -0.8325 -0.5240 -0.5240 -0.5223 -0.5223 -0.4040 -0.4040 -0.4026 -0.4026 4.3011 4.3011 4.3146 4.3146 4.5227 4.5227 4.5485 4.5485 5.2865 5.2865 5.3020 5.3020 5.8069 5.8069 5.8138 5.8138 6.0528 6.0528 6.0896 6.0896 6.2654 6.2654 6.3182 6.3182 7.2459 7.2459 7.2499 7.2499 7.3839 7.3839 7.4110 7.4110 7.5926 7.5926 7.6268 7.6268 8.3459 8.3459 8.3490 8.3490 8.5318 8.5318 8.5466 8.5466 8.7174 8.7174 8.7204 8.7204 9.3245 9.3245 9.3319 9.3319 9.8797 9.8797 9.8940 9.8940 10.0020 10.0020 10.0185 10.0185 10.0883 10.0883 10.1005 10.1005 10.2910 10.2910 10.3041 10.3041 10.5729 10.5729 10.5806 10.5806 k = 0.3864 0.2231 0.7393 ( 14122 PWs) bands (ev): -0.8101 -0.8101 -0.8097 -0.8097 -0.5459 -0.5459 -0.5444 -0.5444 -0.4073 -0.4073 -0.4061 -0.4061 4.2924 4.2924 4.3033 4.3033 4.5383 4.5383 4.5609 4.5609 5.2460 5.2460 5.2593 5.2593 5.8503 5.8503 5.8606 5.8606 6.0550 6.0550 6.0875 6.0875 6.2584 6.2584 6.3083 6.3083 7.2655 7.2655 7.2704 7.2704 7.3814 7.3814 7.4068 7.4068 7.5995 7.5995 7.6300 7.6300 8.3678 8.3678 8.3713 8.3713 8.5433 8.5433 8.5567 8.5567 8.7564 8.7564 8.7578 8.7578 9.2691 9.2691 9.2762 9.2762 9.8915 9.8915 9.9078 9.9078 10.0003 10.0003 10.0174 10.0174 10.1087 10.1087 10.1189 10.1189 10.2460 10.2460 10.2582 10.2582 10.5318 10.5318 10.5388 10.5388 k = 0.4091 0.2362 0.7393 ( 14126 PWs) bands (ev): -0.7872 -0.7872 -0.7868 -0.7868 -0.5682 -0.5682 -0.5669 -0.5669 -0.4100 -0.4100 -0.4091 -0.4091 4.2853 4.2853 4.2938 4.2938 4.5542 4.5542 4.5733 4.5733 5.2094 5.2094 5.2207 5.2207 5.8908 5.8908 5.9029 5.9029 6.0568 6.0568 6.0845 6.0845 6.2512 6.2512 6.2964 6.2964 7.2840 7.2840 7.2900 7.2900 7.3779 7.3779 7.4014 7.4014 7.6054 7.6054 7.6313 7.6313 8.3882 8.3882 8.3919 8.3919 8.5531 8.5531 8.5648 8.5648 8.7961 8.7961 8.7961 8.7961 9.2139 9.2139 9.2206 9.2206 9.9042 9.9042 9.9218 9.9218 9.9999 9.9999 10.0171 10.0171 10.1279 10.1279 10.1349 10.1349 10.2083 10.2083 10.2182 10.2182 10.4905 10.4905 10.4966 10.4966 k = 0.4318 0.2493 0.7393 ( 14122 PWs) bands (ev): -0.7647 -0.7647 -0.7643 -0.7643 -0.5902 -0.5902 -0.5891 -0.5891 -0.4122 -0.4122 -0.4115 -0.4115 4.2798 4.2798 4.2861 4.2861 4.5694 4.5694 4.5845 4.5845 5.1787 5.1787 5.1878 5.1878 5.9274 5.9274 5.9392 5.9392 6.0578 6.0578 6.0802 6.0802 6.2448 6.2448 6.2830 6.2830 7.3011 7.3011 7.3083 7.3083 7.3736 7.3736 7.3945 7.3945 7.6106 7.6106 7.6309 7.6309 8.4062 8.4062 8.4097 8.4097 8.5611 8.5611 8.5706 8.5706 8.8351 8.8351 8.8363 8.8363 9.1602 9.1602 9.1665 9.1665 9.9172 9.9172 9.9350 9.9350 10.0015 10.0015 10.0179 10.0179 10.1367 10.1367 10.1372 10.1372 10.1904 10.1904 10.1932 10.1932 10.4512 10.4512 10.4562 10.4562 k = 0.4545 0.2624 0.7393 ( 14122 PWs) bands (ev): -0.7437 -0.7437 -0.7432 -0.7432 -0.6109 -0.6109 -0.6100 -0.6100 -0.4137 -0.4137 -0.4132 -0.4132 4.2761 4.2761 4.2803 4.2803 4.5826 4.5826 4.5931 4.5931 5.1556 5.1556 5.1620 5.1620 5.9583 5.9583 5.9678 5.9678 6.0583 6.0583 6.0743 6.0743 6.2409 6.2409 6.2691 6.2691 7.3162 7.3162 7.3243 7.3243 7.3687 7.3687 7.3864 7.3864 7.6153 7.6153 7.6293 7.6293 8.4206 8.4206 8.4233 8.4233 8.5674 8.5674 8.5741 8.5741 8.8738 8.8738 8.8759 8.8759 9.1103 9.1103 9.1157 9.1157 9.9300 9.9300 9.9451 9.9451 10.0065 10.0065 10.0200 10.0200 10.1172 10.1172 10.1223 10.1223 10.1973 10.1973 10.1992 10.1992 10.4167 10.4167 10.4203 10.4203 k = 0.4773 0.2756 0.7393 ( 14118 PWs) bands (ev): -0.7267 -0.7267 -0.7263 -0.7263 -0.6276 -0.6276 -0.6270 -0.6270 -0.4146 -0.4146 -0.4143 -0.4143 4.2743 4.2743 4.2763 4.2763 4.5924 4.5924 4.5978 4.5978 5.1417 5.1417 5.1451 5.1451 5.9809 5.9809 5.9863 5.9863 6.0588 6.0588 6.0673 6.0673 6.2411 6.2411 6.2563 6.2563 7.3288 7.3288 7.3358 7.3358 7.3653 7.3653 7.3771 7.3771 7.6195 7.6195 7.6267 7.6267 8.4301 8.4301 8.4317 8.4317 8.5718 8.5718 8.5754 8.5754 8.9085 8.9085 8.9107 8.9107 9.0692 9.0692 9.0730 9.0730 9.9408 9.9408 9.9498 9.9498 10.0148 10.0148 10.0226 10.0226 10.0977 10.0977 10.1010 10.1010 10.2116 10.2116 10.2130 10.2130 10.3915 10.3915 10.3934 10.3934 k = 0.5000 0.2887 0.7393 ( 14116 PWs) bands (ev): -0.7193 -0.7193 -0.7193 -0.7193 -0.6344 -0.6344 -0.6344 -0.6344 -0.4148 -0.4148 -0.4148 -0.4148 4.2744 4.2744 4.2744 4.2744 4.5976 4.5976 4.5976 4.5976 5.1381 5.1381 5.1381 5.1381 5.9912 5.9912 5.9912 5.9912 6.0614 6.0614 6.0614 6.0614 6.2464 6.2464 6.2464 6.2464 7.3370 7.3370 7.3370 7.3370 7.3684 7.3684 7.3684 7.3684 7.6233 7.6233 7.6233 7.6233 8.4340 8.4340 8.4340 8.4340 8.5746 8.5746 8.5746 8.5746 8.9262 8.9262 8.9262 8.9262 9.0520 9.0520 9.0520 9.0520 9.9480 9.9480 9.9480 9.9480 10.0220 10.0220 10.0220 10.0220 10.0906 10.0906 10.0906 10.0906 10.2188 10.2188 10.2188 10.2188 10.3824 10.3824 10.3824 10.3824 k = 0.5000 0.2887 0.7393 ( 14116 PWs) bands (ev): -0.7193 -0.7193 -0.7193 -0.7193 -0.6344 -0.6344 -0.6344 -0.6344 -0.4148 -0.4148 -0.4148 -0.4148 4.2744 4.2744 4.2744 4.2744 4.5976 4.5976 4.5976 4.5976 5.1381 5.1381 5.1381 5.1381 5.9912 5.9912 5.9912 5.9912 6.0614 6.0614 6.0614 6.0614 6.2464 6.2464 6.2464 6.2464 7.3370 7.3370 7.3370 7.3370 7.3684 7.3684 7.3684 7.3684 7.6233 7.6233 7.6233 7.6233 8.4340 8.4340 8.4340 8.4340 8.5746 8.5746 8.5746 8.5746 8.9262 8.9262 8.9262 8.9262 9.0520 9.0520 9.0520 9.0520 9.9480 9.9480 9.9480 9.9480 10.0220 10.0220 10.0220 10.0220 10.0906 10.0906 10.0906 10.0906 10.2188 10.2188 10.2188 10.2188 10.3824 10.3824 10.3824 10.3824 k = 0.4872 0.3109 0.7393 ( 14120 PWs) bands (ev): -0.7187 -0.7187 -0.7187 -0.7187 -0.6340 -0.6340 -0.6340 -0.6340 -0.4159 -0.4159 -0.4159 -0.4159 4.2761 4.2761 4.2761 4.2761 4.5971 4.5971 4.5971 4.5971 5.1336 5.1336 5.1336 5.1336 5.9925 5.9925 5.9925 5.9925 6.0639 6.0639 6.0639 6.0639 6.2474 6.2474 6.2474 6.2474 7.3368 7.3368 7.3368 7.3368 7.3682 7.3682 7.3682 7.3682 7.6233 7.6233 7.6233 7.6233 8.4346 8.4346 8.4346 8.4346 8.5755 8.5755 8.5755 8.5755 8.9244 8.9244 8.9244 8.9244 9.0525 9.0525 9.0525 9.0525 9.9471 9.9471 9.9471 9.9471 10.0198 10.0198 10.0198 10.0198 10.0758 10.0758 10.0758 10.0758 10.2376 10.2376 10.2376 10.2376 10.3847 10.3847 10.3847 10.3847 k = 0.4744 0.3331 0.7393 ( 14132 PWs) bands (ev): -0.7169 -0.7169 -0.7169 -0.7169 -0.6329 -0.6329 -0.6329 -0.6329 -0.4191 -0.4191 -0.4191 -0.4191 4.2811 4.2811 4.2811 4.2811 4.5956 4.5956 4.5956 4.5956 5.1204 5.1204 5.1204 5.1204 5.9961 5.9961 5.9961 5.9961 6.0710 6.0710 6.0710 6.0710 6.2507 6.2507 6.2507 6.2507 7.3364 7.3364 7.3364 7.3364 7.3679 7.3679 7.3679 7.3679 7.6233 7.6233 7.6233 7.6233 8.4364 8.4364 8.4364 8.4364 8.5783 8.5783 8.5783 8.5783 8.9190 8.9190 8.9190 8.9190 9.0539 9.0539 9.0539 9.0539 9.9433 9.9433 9.9433 9.9433 10.0111 10.0111 10.0111 10.0111 10.0498 10.0498 10.0498 10.0498 10.2790 10.2790 10.2790 10.2790 10.3916 10.3916 10.3916 10.3916 k = 0.4615 0.3553 0.7393 ( 14134 PWs) bands (ev): -0.7139 -0.7139 -0.7139 -0.7139 -0.6311 -0.6311 -0.6311 -0.6311 -0.4244 -0.4244 -0.4244 -0.4244 4.2894 4.2894 4.2894 4.2894 4.5933 4.5933 4.5933 4.5933 5.0994 5.0994 5.0994 5.0994 6.0020 6.0020 6.0020 6.0020 6.0814 6.0814 6.0814 6.0814 6.2563 6.2563 6.2563 6.2563 7.3355 7.3355 7.3355 7.3355 7.3673 7.3673 7.3673 7.3673 7.6233 7.6233 7.6233 7.6233 8.4393 8.4393 8.4393 8.4393 8.5830 8.5830 8.5830 8.5830 8.9103 8.9103 8.9103 8.9103 9.0562 9.0562 9.0562 9.0562 9.9337 9.9337 9.9337 9.9337 9.9892 9.9892 9.9892 9.9892 10.0369 10.0369 10.0369 10.0369 10.3286 10.3286 10.3286 10.3286 10.4025 10.4025 10.4025 10.4025 k = 0.4487 0.3775 0.7393 ( 14138 PWs) bands (ev): -0.7098 -0.7098 -0.7098 -0.7098 -0.6287 -0.6287 -0.6287 -0.6287 -0.4318 -0.4318 -0.4318 -0.4318 4.3006 4.3006 4.3006 4.3006 4.5906 4.5906 4.5906 4.5906 5.0717 5.0717 5.0717 5.0717 6.0100 6.0100 6.0100 6.0100 6.0935 6.0935 6.0935 6.0935 6.2645 6.2645 6.2645 6.2645 7.3343 7.3343 7.3343 7.3343 7.3669 7.3669 7.3669 7.3669 7.6233 7.6233 7.6233 7.6233 8.4433 8.4433 8.4433 8.4433 8.5896 8.5896 8.5896 8.5896 8.8986 8.8986 8.8986 8.8986 9.0591 9.0591 9.0591 9.0591 9.9146 9.9146 9.9146 9.9146 9.9631 9.9631 9.9631 9.9631 10.0370 10.0370 10.0370 10.0370 10.3807 10.3807 10.3807 10.3807 10.4173 10.4173 10.4173 10.4173 k = 0.4359 0.3997 0.7393 ( 14126 PWs) bands (ev): -0.7046 -0.7046 -0.7046 -0.7046 -0.6257 -0.6257 -0.6257 -0.6257 -0.4410 -0.4410 -0.4410 -0.4410 4.3143 4.3143 4.3143 4.3143 4.5881 4.5881 4.5881 4.5881 5.0387 5.0387 5.0387 5.0387 6.0198 6.0198 6.0198 6.0198 6.1055 6.1055 6.1055 6.1055 6.2752 6.2752 6.2752 6.2752 7.3327 7.3327 7.3327 7.3327 7.3665 7.3665 7.3665 7.3665 7.6233 7.6233 7.6233 7.6233 8.4482 8.4482 8.4482 8.4482 8.5982 8.5982 8.5982 8.5982 8.8843 8.8843 8.8843 8.8843 9.0624 9.0624 9.0624 9.0624 9.8876 9.8876 9.8876 9.8876 9.9402 9.9402 9.9402 9.9402 10.0432 10.0432 10.0432 10.0432 10.4248 10.4248 10.4248 10.4248 10.4439 10.4439 10.4439 10.4439 k = 0.4231 0.4219 0.7393 ( 14120 PWs) bands (ev): -0.6982 -0.6982 -0.6982 -0.6982 -0.6222 -0.6222 -0.6222 -0.6222 -0.4518 -0.4518 -0.4518 -0.4518 4.3298 4.3298 4.3298 4.3298 4.5866 4.5866 4.5866 4.5866 5.0017 5.0017 5.0017 5.0017 6.0312 6.0312 6.0312 6.0312 6.1162 6.1162 6.1162 6.1162 6.2882 6.2882 6.2882 6.2882 7.3309 7.3309 7.3309 7.3309 7.3664 7.3664 7.3664 7.3664 7.6234 7.6234 7.6234 7.6234 8.4538 8.4538 8.4538 8.4538 8.6087 8.6087 8.6087 8.6087 8.8678 8.8678 8.8678 8.8678 9.0658 9.0658 9.0658 9.0658 9.8584 9.8584 9.8584 9.8584 9.9189 9.9189 9.9189 9.9189 10.0528 10.0528 10.0528 10.0528 10.4462 10.4462 10.4462 10.4462 10.4948 10.4948 10.4948 10.4948 k = 0.4103 0.4441 0.7393 ( 14116 PWs) bands (ev): -0.6908 -0.6908 -0.6908 -0.6908 -0.6184 -0.6184 -0.6184 -0.6184 -0.4641 -0.4641 -0.4641 -0.4641 4.3461 4.3461 4.3461 4.3461 4.5872 4.5872 4.5872 4.5872 4.9620 4.9620 4.9620 4.9620 6.0436 6.0436 6.0436 6.0436 6.1245 6.1245 6.1245 6.1245 6.3024 6.3024 6.3024 6.3024 7.3291 7.3291 7.3291 7.3291 7.3664 7.3664 7.3664 7.3664 7.6235 7.6235 7.6235 7.6235 8.4600 8.4600 8.4600 8.4600 8.6213 8.6213 8.6213 8.6213 8.8497 8.8497 8.8497 8.8497 9.0689 9.0689 9.0689 9.0689 9.8311 9.8311 9.8311 9.8311 9.8976 9.8976 9.8976 9.8976 10.0642 10.0642 10.0642 10.0642 10.4644 10.4644 10.4644 10.4644 10.5489 10.5489 10.5489 10.5489 k = 0.3974 0.4663 0.7393 ( 14108 PWs) bands (ev): -0.6823 -0.6823 -0.6823 -0.6823 -0.6147 -0.6147 -0.6147 -0.6147 -0.4773 -0.4773 -0.4773 -0.4773 4.3621 4.3621 4.3621 4.3621 4.5912 4.5912 4.5912 4.5912 4.9205 4.9205 4.9205 4.9205 6.0566 6.0566 6.0566 6.0566 6.1303 6.1303 6.1303 6.1303 6.3169 6.3169 6.3169 6.3169 7.3277 7.3277 7.3277 7.3277 7.3663 7.3663 7.3663 7.3663 7.6237 7.6237 7.6237 7.6237 8.4665 8.4665 8.4665 8.4665 8.6358 8.6358 8.6358 8.6358 8.8304 8.8304 8.8304 8.8304 9.0713 9.0713 9.0713 9.0713 9.8079 9.8079 9.8079 9.8079 9.8765 9.8765 9.8765 9.8765 10.0758 10.0758 10.0758 10.0758 10.4815 10.4815 10.4815 10.4815 10.6022 10.6022 10.6022 10.6022 k = 0.3846 0.4885 0.7393 ( 14120 PWs) bands (ev): -0.6728 -0.6728 -0.6728 -0.6728 -0.6115 -0.6115 -0.6115 -0.6115 -0.4909 -0.4909 -0.4909 -0.4909 4.3762 4.3762 4.3762 4.3762 4.6001 4.6001 4.6001 4.6001 4.8783 4.8783 4.8783 4.8783 6.0700 6.0700 6.0700 6.0700 6.1334 6.1334 6.1334 6.1334 6.3303 6.3303 6.3303 6.3303 7.3268 7.3268 7.3268 7.3268 7.3661 7.3661 7.3661 7.3661 7.6239 7.6239 7.6239 7.6239 8.4729 8.4729 8.4729 8.4729 8.6524 8.6524 8.6524 8.6524 8.8103 8.8103 8.8103 8.8103 9.0725 9.0725 9.0725 9.0725 9.7899 9.7899 9.7899 9.7899 9.8560 9.8560 9.8560 9.8560 10.0868 10.0868 10.0868 10.0868 10.4968 10.4968 10.4968 10.4968 10.6535 10.6535 10.6535 10.6535 k = 0.3718 0.5107 0.7393 ( 14126 PWs) bands (ev): -0.6625 -0.6625 -0.6625 -0.6625 -0.6097 -0.6097 -0.6097 -0.6097 -0.5039 -0.5039 -0.5039 -0.5039 4.3872 4.3872 4.3872 4.3872 4.6153 4.6153 4.6153 4.6153 4.8362 4.8362 4.8362 4.8362 6.0832 6.0832 6.0832 6.0832 6.1339 6.1339 6.1339 6.1339 6.3414 6.3414 6.3414 6.3414 7.3267 7.3267 7.3267 7.3267 7.3657 7.3657 7.3657 7.3657 7.6242 7.6242 7.6242 7.6242 8.4788 8.4788 8.4788 8.4788 8.6707 8.6707 8.6707 8.6707 8.7898 8.7898 8.7898 8.7898 9.0724 9.0724 9.0724 9.0724 9.7776 9.7776 9.7776 9.7776 9.8371 9.8371 9.8371 9.8371 10.0962 10.0962 10.0962 10.0962 10.5093 10.5093 10.5093 10.5093 10.7016 10.7016 10.7016 10.7016 k = 0.3590 0.5329 0.7393 ( 14122 PWs) bands (ev): -0.6513 -0.6513 -0.6513 -0.6513 -0.6106 -0.6106 -0.6106 -0.6106 -0.5149 -0.5149 -0.5149 -0.5149 4.3945 4.3945 4.3945 4.3945 4.6368 4.6368 4.6368 4.6368 4.7953 4.7953 4.7953 4.7953 6.0958 6.0958 6.0958 6.0958 6.1318 6.1318 6.1318 6.1318 6.3495 6.3495 6.3495 6.3495 7.3273 7.3273 7.3273 7.3273 7.3650 7.3650 7.3650 7.3650 7.6244 7.6244 7.6244 7.6244 8.4838 8.4838 8.4838 8.4838 8.6903 8.6903 8.6903 8.6903 8.7693 8.7693 8.7693 8.7693 9.0712 9.0712 9.0712 9.0712 9.7712 9.7712 9.7712 9.7712 9.8205 9.8205 9.8205 9.8205 10.1033 10.1033 10.1033 10.1033 10.5182 10.5182 10.5182 10.5182 10.7450 10.7450 10.7450 10.7450 k = 0.3462 0.5551 0.7393 ( 14138 PWs) bands (ev): -0.6393 -0.6393 -0.6393 -0.6393 -0.6158 -0.6158 -0.6158 -0.6158 -0.5221 -0.5221 -0.5221 -0.5221 4.3982 4.3982 4.3982 4.3982 4.6629 4.6629 4.6629 4.6629 4.7580 4.7580 4.7580 4.7580 6.1076 6.1076 6.1076 6.1076 6.1268 6.1268 6.1268 6.1268 6.3543 6.3543 6.3543 6.3543 7.3282 7.3282 7.3282 7.3282 7.3642 7.3642 7.3642 7.3642 7.6246 7.6246 7.6246 7.6246 8.4873 8.4873 8.4873 8.4873 8.7105 8.7105 8.7105 8.7105 8.7493 8.7493 8.7493 8.7493 9.0695 9.0695 9.0695 9.0695 9.7699 9.7699 9.7699 9.7699 9.8080 9.8080 9.8080 9.8080 10.1078 10.1078 10.1078 10.1078 10.5233 10.5233 10.5233 10.5233 10.7802 10.7802 10.7802 10.7802 k = 0.3333 0.5774 0.7393 ( 14142 PWs) bands (ev): -0.6281 -0.6281 -0.6281 -0.6281 -0.6248 -0.6248 -0.6248 -0.6248 -0.5245 -0.5245 -0.5245 -0.5245 4.3992 4.3992 4.3992 4.3992 4.6803 4.6803 4.6803 4.6803 4.7370 4.7370 4.7370 4.7370 6.1169 6.1169 6.1169 6.1169 6.1200 6.1200 6.1200 6.1200 6.3558 6.3558 6.3558 6.3558 7.3288 7.3288 7.3288 7.3288 7.3637 7.3637 7.3637 7.3637 7.6246 7.6246 7.6246 7.6246 8.4886 8.4886 8.4886 8.4886 8.7294 8.7294 8.7294 8.7294 8.7308 8.7308 8.7308 8.7308 9.0685 9.0685 9.0685 9.0685 9.7706 9.7706 9.7706 9.7706 9.8026 9.8026 9.8026 9.8026 10.1094 10.1094 10.1094 10.1094 10.5249 10.5249 10.5249 10.5249 10.7964 10.7964 10.7964 10.7965 k = 0.3333 0.5774 0.7393 ( 14142 PWs) bands (ev): -0.6281 -0.6281 -0.6281 -0.6281 -0.6248 -0.6248 -0.6248 -0.6248 -0.5245 -0.5245 -0.5245 -0.5245 4.3992 4.3992 4.3992 4.3992 4.6803 4.6803 4.6803 4.6803 4.7370 4.7370 4.7370 4.7370 6.1169 6.1169 6.1169 6.1169 6.1200 6.1200 6.1200 6.1200 6.3558 6.3558 6.3558 6.3558 7.3288 7.3288 7.3288 7.3288 7.3637 7.3637 7.3637 7.3637 7.6246 7.6246 7.6246 7.6246 8.4886 8.4886 8.4886 8.4886 8.7294 8.7294 8.7294 8.7294 8.7308 8.7308 8.7308 8.7308 9.0685 9.0685 9.0685 9.0685 9.7706 9.7706 9.7706 9.7706 9.8026 9.8026 9.8026 9.8026 10.1094 10.1094 10.1094 10.1094 10.5249 10.5249 10.5249 10.5249 10.7964 10.7964 10.7964 10.7965 k = 0.3200 0.5543 0.7393 ( 14142 PWs) bands (ev): -0.6424 -0.6424 -0.6424 -0.6424 -0.6124 -0.6124 -0.6124 -0.6124 -0.5223 -0.5223 -0.5223 -0.5223 4.3984 4.3984 4.3984 4.3984 4.6602 4.6602 4.6602 4.6602 4.7608 4.7608 4.7608 4.7608 6.1058 6.1058 6.1058 6.1058 6.1281 6.1281 6.1281 6.1281 6.3544 6.3544 6.3544 6.3544 7.3278 7.3278 7.3278 7.3278 7.3645 7.3645 7.3645 7.3645 7.6245 7.6245 7.6245 7.6245 8.4869 8.4869 8.4869 8.4869 8.7115 8.7115 8.7115 8.7115 8.7477 8.7477 8.7477 8.7477 9.0704 9.0704 9.0704 9.0704 9.7690 9.7690 9.7690 9.7690 9.8092 9.8092 9.8092 9.8092 10.1077 10.1077 10.1077 10.1077 10.5236 10.5236 10.5236 10.5236 10.7776 10.7776 10.7776 10.7776 k = 0.3067 0.5312 0.7393 ( 14124 PWs) bands (ev): -0.6619 -0.6619 -0.6619 -0.6619 -0.5980 -0.5980 -0.5980 -0.5980 -0.5168 -0.5168 -0.5168 -0.5168 4.3967 4.3967 4.3967 4.3967 4.6268 4.6268 4.6268 4.6268 4.8048 4.8048 4.8048 4.8048 6.0889 6.0889 6.0889 6.0889 6.1359 6.1359 6.1359 6.1359 6.3506 6.3506 6.3506 6.3506 7.3243 7.3243 7.3243 7.3243 7.3669 7.3669 7.3669 7.3669 7.6242 7.6242 7.6242 7.6242 8.4816 8.4816 8.4816 8.4816 8.6946 8.6946 8.6946 8.6946 8.7600 8.7600 8.7600 8.7600 9.0781 9.0781 9.0781 9.0781 9.7663 9.7663 9.7663 9.7663 9.8260 9.8260 9.8260 9.8260 10.1030 10.1030 10.1030 10.1030 10.5208 10.5208 10.5208 10.5208 10.7379 10.7379 10.7379 10.7379 k = 0.2933 0.5081 0.7393 ( 14132 PWs) bands (ev): -0.6836 -0.6836 -0.6836 -0.6836 -0.5830 -0.5830 -0.5830 -0.5830 -0.5091 -0.5091 -0.5091 -0.5091 4.3948 4.3948 4.3948 4.3948 4.5935 4.5935 4.5935 4.5935 4.8552 4.8552 4.8552 4.8552 6.0668 6.0668 6.0668 6.0668 6.1418 6.1418 6.1418 6.1418 6.3455 6.3455 6.3455 6.3455 7.3180 7.3180 7.3180 7.3180 7.3708 7.3708 7.3708 7.3708 7.6235 7.6235 7.6235 7.6235 8.4721 8.4721 8.4721 8.4721 8.6797 8.6797 8.6797 8.6797 8.7647 8.7647 8.7647 8.7647 9.0940 9.0940 9.0940 9.0940 9.7654 9.7654 9.7654 9.7654 9.8493 9.8493 9.8493 9.8493 10.0957 10.0957 10.0957 10.0957 10.5177 10.5177 10.5177 10.5177 10.6922 10.6922 10.6922 10.6922 k = 0.2800 0.4850 0.7393 ( 14116 PWs) bands (ev): -0.7066 -0.7066 -0.7066 -0.7066 -0.5675 -0.5675 -0.5675 -0.5675 -0.5001 -0.5001 -0.5001 -0.5001 4.3932 4.3932 4.3932 4.3932 4.5622 4.5622 4.5622 4.5622 4.9095 4.9095 4.9095 4.9095 6.0395 6.0395 6.0395 6.0395 6.1457 6.1457 6.1457 6.1457 6.3397 6.3397 6.3397 6.3397 7.3093 7.3093 7.3093 7.3093 7.3756 7.3756 7.3756 7.3756 7.6224 7.6224 7.6224 7.6224 8.4586 8.4586 8.4586 8.4586 8.6664 8.6664 8.6664 8.6664 8.7609 8.7609 8.7609 8.7609 9.1192 9.1192 9.1192 9.1192 9.7674 9.7674 9.7674 9.7674 9.8767 9.8767 9.8767 9.8767 10.0866 10.0866 10.0866 10.0866 10.5155 10.5155 10.5155 10.5155 10.6457 10.6457 10.6457 10.6457 k = 0.2667 0.4619 0.7393 ( 14128 PWs) bands (ev): -0.7305 -0.7305 -0.7305 -0.7305 -0.5518 -0.5518 -0.5518 -0.5518 -0.4902 -0.4902 -0.4902 -0.4902 4.3922 4.3922 4.3922 4.3922 4.5338 4.5338 4.5338 4.5338 4.9667 4.9667 4.9667 4.9667 6.0068 6.0068 6.0068 6.0068 6.1474 6.1474 6.1474 6.1474 6.3340 6.3340 6.3340 6.3340 7.2984 7.2984 7.2984 7.2984 7.3806 7.3806 7.3806 7.3806 7.6207 7.6207 7.6207 7.6207 8.4415 8.4415 8.4415 8.4415 8.6542 8.6542 8.6542 8.6542 8.7491 8.7491 8.7491 8.7491 9.1531 9.1531 9.1531 9.1531 9.7721 9.7721 9.7721 9.7721 9.9063 9.9063 9.9063 9.9063 10.0764 10.0764 10.0764 10.0764 10.5148 10.5148 10.5148 10.5148 10.6016 10.6016 10.6016 10.6016 k = 0.2533 0.4388 0.7393 ( 14132 PWs) bands (ev): -0.7547 -0.7547 -0.7547 -0.7547 -0.5359 -0.5359 -0.5359 -0.5359 -0.4797 -0.4797 -0.4797 -0.4797 4.3921 4.3921 4.3921 4.3921 4.5086 4.5086 4.5086 4.5086 5.0260 5.0260 5.0260 5.0260 5.9691 5.9691 5.9691 5.9691 6.1470 6.1470 6.1470 6.1470 6.3288 6.3288 6.3288 6.3288 7.2857 7.2857 7.2857 7.2857 7.3854 7.3854 7.3854 7.3854 7.6184 7.6184 7.6184 7.6184 8.4216 8.4216 8.4216 8.4216 8.6422 8.6422 8.6422 8.6422 8.7311 8.7311 8.7311 8.7311 9.1939 9.1939 9.1939 9.1939 9.7790 9.7790 9.7790 9.7790 9.9364 9.9364 9.9364 9.9364 10.0662 10.0662 10.0662 10.0662 10.5149 10.5149 10.5149 10.5149 10.5639 10.5639 10.5639 10.5639 k = 0.2400 0.4157 0.7393 ( 14112 PWs) bands (ev): -0.7789 -0.7789 -0.7789 -0.7789 -0.5200 -0.5200 -0.5200 -0.5200 -0.4688 -0.4688 -0.4688 -0.4688 4.3929 4.3929 4.3929 4.3929 4.4869 4.4869 4.4869 4.4869 5.0869 5.0869 5.0869 5.0869 5.9267 5.9267 5.9267 5.9267 6.1444 6.1444 6.1444 6.1444 6.3243 6.3243 6.3243 6.3243 7.2715 7.2715 7.2715 7.2715 7.3897 7.3897 7.3897 7.3897 7.6153 7.6153 7.6153 7.6153 8.3996 8.3996 8.3996 8.3996 8.6297 8.6297 8.6297 8.6297 8.7085 8.7085 8.7085 8.7085 9.2397 9.2397 9.2397 9.2397 9.7875 9.7875 9.7875 9.7875 9.9645 9.9645 9.9645 9.9645 10.0571 10.0571 10.0571 10.0571 10.5081 10.5081 10.5081 10.5081 10.5431 10.5431 10.5431 10.5431 k = 0.2267 0.3926 0.7393 ( 14106 PWs) bands (ev): -0.8029 -0.8029 -0.8029 -0.8029 -0.5041 -0.5041 -0.5041 -0.5041 -0.4578 -0.4578 -0.4578 -0.4578 4.3946 4.3946 4.3946 4.3946 4.4692 4.4692 4.4692 4.4692 5.1487 5.1487 5.1487 5.1487 5.8804 5.8804 5.8804 5.8804 6.1398 6.1398 6.1398 6.1398 6.3207 6.3207 6.3207 6.3207 7.2559 7.2559 7.2559 7.2559 7.3935 7.3935 7.3935 7.3935 7.6113 7.6113 7.6113 7.6113 8.3766 8.3766 8.3766 8.3766 8.6160 8.6160 8.6160 8.6160 8.6830 8.6830 8.6830 8.6830 9.2885 9.2885 9.2885 9.2885 9.7967 9.7967 9.7967 9.7967 9.9879 9.9879 9.9879 9.9879 10.0503 10.0503 10.0503 10.0503 10.4905 10.4905 10.4905 10.4905 10.5461 10.5461 10.5461 10.5461 k = 0.2133 0.3695 0.7393 ( 14118 PWs) bands (ev): -0.8264 -0.8264 -0.8264 -0.8264 -0.4883 -0.4883 -0.4883 -0.4883 -0.4468 -0.4468 -0.4468 -0.4468 4.3967 4.3967 4.3967 4.3967 4.4557 4.4557 4.4557 4.4557 5.2109 5.2109 5.2109 5.2109 5.8309 5.8309 5.8309 5.8309 6.1333 6.1333 6.1333 6.1333 6.3179 6.3179 6.3179 6.3179 7.2392 7.2392 7.2392 7.2392 7.3965 7.3965 7.3965 7.3965 7.6062 7.6062 7.6062 7.6062 8.3531 8.3531 8.3531 8.3531 8.6006 8.6006 8.6006 8.6006 8.6556 8.6556 8.6556 8.6556 9.3389 9.3389 9.3389 9.3389 9.8058 9.8058 9.8058 9.8058 10.0031 10.0031 10.0031 10.0031 10.0472 10.0472 10.0472 10.0472 10.4785 10.4785 10.4785 10.4785 10.5596 10.5596 10.5596 10.5596 k = 0.2000 0.3464 0.7393 ( 14122 PWs) bands (ev): -0.8493 -0.8493 -0.8493 -0.8493 -0.4729 -0.4729 -0.4729 -0.4729 -0.4358 -0.4358 -0.4358 -0.4358 4.3987 4.3987 4.3987 4.3987 4.4473 4.4473 4.4473 4.4473 5.2726 5.2726 5.2726 5.2726 5.7790 5.7790 5.7790 5.7790 6.1255 6.1255 6.1255 6.1255 6.3159 6.3159 6.3159 6.3159 7.2215 7.2215 7.2215 7.2215 7.3988 7.3988 7.3988 7.3988 7.5999 7.5999 7.5999 7.5999 8.3298 8.3298 8.3298 8.3298 8.5834 8.5834 8.5834 8.5834 8.6273 8.6273 8.6273 8.6273 9.3895 9.3895 9.3895 9.3895 9.8139 9.8139 9.8139 9.8139 10.0096 10.0096 10.0096 10.0096 10.0467 10.0467 10.0467 10.0467 10.4790 10.4790 10.4790 10.4790 10.5790 10.5790 10.5790 10.5790 k = 0.1867 0.3233 0.7393 ( 14122 PWs) bands (ev): -0.8715 -0.8715 -0.8715 -0.8715 -0.4578 -0.4578 -0.4578 -0.4578 -0.4250 -0.4250 -0.4250 -0.4250 4.4003 4.4003 4.4003 4.4003 4.4442 4.4442 4.4442 4.4442 5.3326 5.3326 5.3326 5.3326 5.7257 5.7257 5.7257 5.7257 6.1167 6.1167 6.1167 6.1167 6.3148 6.3148 6.3148 6.3148 7.2032 7.2032 7.2032 7.2032 7.4004 7.4004 7.4004 7.4004 7.5920 7.5920 7.5920 7.5920 8.3071 8.3071 8.3071 8.3071 8.5643 8.5643 8.5643 8.5643 8.5988 8.5988 8.5988 8.5988 9.4393 9.4393 9.4393 9.4393 9.8205 9.8205 9.8205 9.8205 10.0102 10.0102 10.0102 10.0102 10.0455 10.0455 10.0455 10.0455 10.4933 10.4933 10.4933 10.4933 10.6033 10.6033 10.6033 10.6033 k = 0.1733 0.3002 0.7393 ( 14108 PWs) bands (ev): -0.8927 -0.8927 -0.8927 -0.8927 -0.4432 -0.4432 -0.4432 -0.4432 -0.4145 -0.4145 -0.4145 -0.4145 4.4014 4.4014 4.4014 4.4014 4.4463 4.4463 4.4463 4.4463 5.3893 5.3893 5.3893 5.3893 5.6727 5.6727 5.6727 5.6727 6.1079 6.1079 6.1079 6.1079 6.3144 6.3144 6.3144 6.3144 7.1844 7.1844 7.1844 7.1844 7.4015 7.4015 7.4015 7.4015 7.5825 7.5825 7.5825 7.5825 8.2854 8.2854 8.2854 8.2854 8.5435 8.5435 8.5435 8.5435 8.5707 8.5707 8.5707 8.5707 9.4873 9.4873 9.4873 9.4873 9.8251 9.8251 9.8251 9.8251 10.0068 10.0068 10.0068 10.0068 10.0429 10.0429 10.0429 10.0429 10.5201 10.5201 10.5201 10.5201 10.6320 10.6320 10.6320 10.6320 k = 0.1600 0.2771 0.7393 ( 14088 PWs) bands (ev): -0.9128 -0.9128 -0.9128 -0.9128 -0.4293 -0.4293 -0.4293 -0.4293 -0.4044 -0.4044 -0.4044 -0.4044 4.4033 4.4033 4.4033 4.4033 4.4524 4.4524 4.4524 4.4524 5.4385 5.4385 5.4385 5.4385 5.6233 5.6233 5.6233 5.6233 6.0999 6.0999 6.0999 6.0999 6.3146 6.3146 6.3146 6.3146 7.1652 7.1652 7.1652 7.1652 7.4019 7.4019 7.4019 7.4019 7.5712 7.5712 7.5712 7.5712 8.2651 8.2651 8.2651 8.2651 8.5214 8.5214 8.5214 8.5214 8.5436 8.5436 8.5436 8.5436 9.5330 9.5330 9.5330 9.5330 9.8276 9.8276 9.8276 9.8276 9.9985 9.9985 9.9985 9.9985 10.0420 10.0420 10.0420 10.0420 10.5568 10.5568 10.5568 10.5568 10.6647 10.6647 10.6647 10.6647 k = 0.1467 0.2540 0.7393 ( 14088 PWs) bands (ev): -0.9317 -0.9317 -0.9317 -0.9317 -0.4160 -0.4160 -0.4160 -0.4160 -0.3948 -0.3948 -0.3948 -0.3948 4.4067 4.4067 4.4067 4.4067 4.4612 4.4612 4.4612 4.4612 5.4675 5.4675 5.4675 5.4675 5.5896 5.5896 5.5896 5.5896 6.0941 6.0941 6.0941 6.0941 6.3156 6.3156 6.3156 6.3156 7.1459 7.1459 7.1459 7.1459 7.4020 7.4020 7.4020 7.4020 7.5581 7.5581 7.5581 7.5581 8.2462 8.2462 8.2462 8.2462 8.4984 8.4984 8.4984 8.4984 8.5178 8.5178 8.5178 8.5178 9.5755 9.5755 9.5755 9.5755 9.8283 9.8283 9.8283 9.8283 9.9853 9.9853 9.9853 9.9853 10.0447 10.0447 10.0447 10.0447 10.6004 10.6004 10.6004 10.6004 10.7006 10.7006 10.7006 10.7006 k = 0.1333 0.2309 0.7393 ( 14088 PWs) bands (ev): -0.9494 -0.9494 -0.9494 -0.9494 -0.4036 -0.4036 -0.4036 -0.4036 -0.3857 -0.3857 -0.3857 -0.3857 4.4122 4.4122 4.4122 4.4122 4.4718 4.4718 4.4718 4.4718 5.4534 5.4534 5.4534 5.4534 5.5936 5.5936 5.5936 5.5936 6.0919 6.0919 6.0919 6.0919 6.3173 6.3173 6.3173 6.3173 7.1266 7.1266 7.1266 7.1266 7.4017 7.4017 7.4017 7.4017 7.5431 7.5431 7.5431 7.5431 8.2291 8.2291 8.2291 8.2291 8.4752 8.4752 8.4752 8.4752 8.4936 8.4936 8.4936 8.4936 9.6146 9.6146 9.6146 9.6146 9.8276 9.8276 9.8276 9.8276 9.9693 9.9693 9.9693 9.9693 10.0503 10.0503 10.0503 10.0503 10.6483 10.6483 10.6483 10.6483 10.7387 10.7387 10.7387 10.7387 k = 0.1200 0.2078 0.7393 ( 14076 PWs) bands (ev): -0.9656 -0.9656 -0.9656 -0.9656 -0.3921 -0.3921 -0.3921 -0.3921 -0.3772 -0.3772 -0.3772 -0.3772 4.4199 4.4199 4.4199 4.4199 4.4838 4.4838 4.4838 4.4838 5.4105 5.4105 5.4105 5.4105 5.6199 5.6199 5.6199 5.6199 6.0947 6.0947 6.0947 6.0947 6.3199 6.3199 6.3199 6.3199 7.1073 7.1073 7.1073 7.1073 7.4010 7.4010 7.4010 7.4010 7.5264 7.5264 7.5264 7.5264 8.2137 8.2137 8.2137 8.2137 8.4526 8.4526 8.4526 8.4526 8.4709 8.4709 8.4709 8.4709 9.6499 9.6499 9.6499 9.6499 9.8258 9.8258 9.8258 9.8258 9.9524 9.9524 9.9524 9.9524 10.0576 10.0576 10.0576 10.0576 10.6985 10.6985 10.6985 10.6985 10.7783 10.7783 10.7783 10.7783 k = 0.1067 0.1848 0.7393 ( 14078 PWs) bands (ev): -0.9804 -0.9804 -0.9804 -0.9804 -0.3816 -0.3816 -0.3816 -0.3816 -0.3693 -0.3693 -0.3693 -0.3693 4.4296 4.4296 4.4296 4.4296 4.4967 4.4967 4.4967 4.4967 5.3605 5.3605 5.3605 5.3605 5.6462 5.6462 5.6462 5.6462 6.1036 6.1036 6.1036 6.1036 6.3233 6.3233 6.3233 6.3233 7.0882 7.0882 7.0882 7.0882 7.4003 7.4003 7.4003 7.4003 7.5084 7.5084 7.5084 7.5084 8.2002 8.2002 8.2002 8.2002 8.4311 8.4311 8.4311 8.4311 8.4499 8.4499 8.4499 8.4499 9.6812 9.6812 9.6812 9.6812 9.8235 9.8235 9.8235 9.8235 9.9360 9.9360 9.9360 9.9360 10.0658 10.0658 10.0658 10.0658 10.7492 10.7492 10.7492 10.7492 10.8181 10.8181 10.8181 10.8181 k = 0.0933 0.1617 0.7393 ( 14062 PWs) bands (ev): -0.9936 -0.9936 -0.9936 -0.9936 -0.3722 -0.3722 -0.3722 -0.3722 -0.3622 -0.3622 -0.3622 -0.3622 4.4409 4.4409 4.4409 4.4409 4.5102 4.5102 4.5102 4.5102 5.3099 5.3099 5.3099 5.3099 5.6661 5.6661 5.6661 5.6661 6.1184 6.1184 6.1184 6.1184 6.3280 6.3280 6.3280 6.3280 7.0693 7.0693 7.0693 7.0693 7.3994 7.3994 7.3994 7.3994 7.4895 7.4895 7.4895 7.4895 8.1884 8.1884 8.1884 8.1884 8.4114 8.4114 8.4114 8.4114 8.4309 8.4309 8.4309 8.4309 9.7082 9.7082 9.7082 9.7082 9.8211 9.8211 9.8211 9.8211 9.9208 9.9208 9.9208 9.9208 10.0741 10.0741 10.0741 10.0741 10.7989 10.7989 10.7989 10.7989 10.8571 10.8571 10.8571 10.8571 k = 0.0800 0.1386 0.7393 ( 14054 PWs) bands (ev): -1.0052 -1.0052 -1.0052 -1.0052 -0.3639 -0.3639 -0.3639 -0.3639 -0.3559 -0.3559 -0.3559 -0.3559 4.4530 4.4530 4.4530 4.4530 4.5240 4.5240 4.5240 4.5240 5.2613 5.2613 5.2613 5.2613 5.6788 5.6788 5.6788 5.6788 6.1377 6.1377 6.1377 6.1377 6.3342 6.3342 6.3342 6.3342 7.0509 7.0509 7.0509 7.0509 7.3984 7.3984 7.3984 7.3984 7.4705 7.4705 7.4705 7.4705 8.1784 8.1784 8.1784 8.1784 8.3937 8.3937 8.3937 8.3937 8.4140 8.4140 8.4140 8.4140 9.7308 9.7308 9.7308 9.7308 9.8191 9.8191 9.8191 9.8191 9.9072 9.9072 9.9072 9.9072 10.0822 10.0822 10.0822 10.0822 10.8464 10.8464 10.8464 10.8464 10.8943 10.8943 10.8943 10.8943 k = 0.0667 0.1155 0.7393 ( 14050 PWs) bands (ev): -1.0151 -1.0151 -1.0151 -1.0151 -0.3570 -0.3570 -0.3570 -0.3570 -0.3503 -0.3503 -0.3503 -0.3503 4.4654 4.4654 4.4654 4.4654 4.5377 4.5377 4.5377 4.5377 5.2161 5.2161 5.2161 5.2161 5.6854 5.6854 5.6854 5.6854 6.1588 6.1588 6.1588 6.1588 6.3422 6.3422 6.3422 6.3422 7.0332 7.0332 7.0332 7.0332 7.3975 7.3975 7.3975 7.3975 7.4522 7.4522 7.4522 7.4522 8.1701 8.1701 8.1701 8.1701 8.3784 8.3784 8.3784 8.3784 8.3994 8.3994 8.3994 8.3994 9.7488 9.7488 9.7488 9.7488 9.8178 9.8178 9.8178 9.8178 9.8956 9.8956 9.8956 9.8956 10.0896 10.0896 10.0896 10.0896 10.8905 10.8905 10.8905 10.8905 10.9283 10.9283 10.9283 10.9283 k = 0.0533 0.0924 0.7393 ( 14070 PWs) bands (ev): -1.0232 -1.0232 -1.0232 -1.0232 -0.3513 -0.3513 -0.3513 -0.3513 -0.3456 -0.3456 -0.3456 -0.3456 4.4770 4.4770 4.4770 4.4770 4.5511 4.5511 4.5511 4.5511 5.1757 5.1757 5.1757 5.1757 5.6876 5.6876 5.6876 5.6876 6.1790 6.1790 6.1790 6.1790 6.3520 6.3520 6.3520 6.3520 7.0167 7.0167 7.0167 7.0167 7.3968 7.3968 7.3968 7.3968 7.4354 7.4354 7.4354 7.4354 8.1634 8.1634 8.1634 8.1634 8.3657 8.3657 8.3657 8.3657 8.3872 8.3872 8.3872 8.3872 9.7621 9.7621 9.7621 9.7621 9.8178 9.8178 9.8178 9.8178 9.8860 9.8860 9.8860 9.8860 10.0961 10.0961 10.0961 10.0961 10.9298 10.9298 10.9298 10.9298 10.9581 10.9581 10.9581 10.9581 k = 0.0400 0.0693 0.7393 ( 14068 PWs) bands (ev): -1.0296 -1.0296 -1.0296 -1.0296 -0.3470 -0.3470 -0.3470 -0.3470 -0.3418 -0.3418 -0.3418 -0.3418 4.4869 4.4869 4.4869 4.4869 4.5632 4.5632 4.5632 4.5632 5.1418 5.1418 5.1418 5.1418 5.6874 5.6874 5.6874 5.6874 6.1957 6.1957 6.1957 6.1957 6.3628 6.3628 6.3628 6.3628 7.0021 7.0021 7.0021 7.0021 7.3962 7.3962 7.3962 7.3962 7.4211 7.4211 7.4211 7.4211 8.1583 8.1583 8.1583 8.1583 8.3556 8.3556 8.3556 8.3556 8.3777 8.3777 8.3777 8.3777 9.7708 9.7708 9.7708 9.7708 9.8190 9.8190 9.8190 9.8190 9.8787 9.8787 9.8787 9.8787 10.1014 10.1014 10.1014 10.1014 10.9631 10.9631 10.9631 10.9631 10.9826 10.9826 10.9826 10.9826 k = 0.0267 0.0462 0.7393 ( 14082 PWs) bands (ev): -1.0342 -1.0342 -1.0342 -1.0342 -0.3440 -0.3440 -0.3440 -0.3440 -0.3390 -0.3390 -0.3390 -0.3390 4.4946 4.4946 4.4946 4.4946 4.5732 4.5732 4.5732 4.5732 5.1158 5.1158 5.1158 5.1158 5.6861 5.6861 5.6861 5.6861 6.2077 6.2077 6.2077 6.2077 6.3730 6.3730 6.3730 6.3730 6.9905 6.9905 6.9905 6.9905 7.3959 7.3959 7.3959 7.3959 7.4101 7.4101 7.4101 7.4101 8.1547 8.1547 8.1547 8.1547 8.3484 8.3484 8.3484 8.3484 8.3708 8.3708 8.3708 8.3708 9.7759 9.7759 9.7759 9.7759 9.8207 9.8207 9.8207 9.8207 9.8736 9.8736 9.8736 9.8736 10.1053 10.1053 10.1053 10.1053 10.9887 10.9887 10.9887 10.9887 11.0007 11.0007 11.0007 11.0007 k = 0.0133 0.0231 0.7393 ( 14072 PWs) bands (ev): -1.0370 -1.0370 -1.0370 -1.0370 -0.3422 -0.3422 -0.3422 -0.3422 -0.3372 -0.3372 -0.3372 -0.3372 4.4994 4.4994 4.4994 4.4994 4.5799 4.5799 4.5799 4.5799 5.0994 5.0994 5.0994 5.0994 5.6850 5.6850 5.6850 5.6850 6.2148 6.2148 6.2148 6.2148 6.3805 6.3805 6.3805 6.3805 6.9829 6.9829 6.9829 6.9829 7.3961 7.3961 7.3961 7.3961 7.4028 7.4028 7.4028 7.4028 8.1526 8.1526 8.1526 8.1526 8.3441 8.3441 8.3441 8.3441 8.3667 8.3667 8.3667 8.3667 9.7783 9.7783 9.7783 9.7783 9.8223 9.8223 9.8223 9.8223 9.8706 9.8706 9.8706 9.8706 10.1077 10.1077 10.1077 10.1077 11.0051 11.0051 11.0051 11.0051 11.0118 11.0118 11.0118 11.0118 k = 0.0000 0.0000 0.7393 ( 14064 PWs) bands (ev): -1.0379 -1.0379 -1.0379 -1.0379 -0.3416 -0.3416 -0.3416 -0.3416 -0.3366 -0.3366 -0.3366 -0.3366 4.5010 4.5010 4.5010 4.5010 4.5823 4.5823 4.5823 4.5823 5.0937 5.0937 5.0937 5.0937 5.6845 5.6845 5.6845 5.6845 6.2172 6.2172 6.2172 6.2172 6.3832 6.3832 6.3832 6.3832 6.9803 6.9803 6.9803 6.9803 7.3967 7.3967 7.3967 7.3967 7.3998 7.3998 7.3998 7.3998 8.1518 8.1518 8.1518 8.1518 8.3426 8.3426 8.3426 8.3426 8.3653 8.3653 8.3653 8.3653 9.7790 9.7790 9.7790 9.7790 9.8228 9.8228 9.8228 9.8228 9.8696 9.8696 9.8696 9.8696 10.1085 10.1085 10.1085 10.1085 11.0109 11.0109 11.0109 11.0109 11.0153 11.0153 11.0153 11.0153 k = 0.5000 0.2887 0.7393 ( 14116 PWs) bands (ev): -0.7193 -0.7193 -0.7193 -0.7193 -0.6344 -0.6344 -0.6344 -0.6344 -0.4148 -0.4148 -0.4148 -0.4148 4.2744 4.2744 4.2744 4.2744 4.5976 4.5976 4.5976 4.5976 5.1381 5.1381 5.1381 5.1381 5.9912 5.9912 5.9912 5.9912 6.0614 6.0614 6.0614 6.0614 6.2464 6.2464 6.2464 6.2464 7.3370 7.3370 7.3370 7.3370 7.3684 7.3684 7.3684 7.3684 7.6233 7.6233 7.6233 7.6233 8.4340 8.4340 8.4340 8.4340 8.5746 8.5746 8.5746 8.5746 8.9262 8.9262 8.9262 8.9262 9.0520 9.0520 9.0520 9.0520 9.9480 9.9480 9.9480 9.9480 10.0220 10.0220 10.0220 10.0220 10.0906 10.0906 10.0906 10.0906 10.2188 10.2188 10.2188 10.2188 10.3824 10.3824 10.3824 10.3824 k = 0.5000 0.2887 0.7129 ( 14100 PWs) bands (ev): -0.7789 -0.7789 -0.6736 -0.6736 -0.6586 -0.6586 -0.6029 -0.6029 -0.4316 -0.4316 -0.3902 -0.3902 4.2537 4.2537 4.2893 4.2893 4.5940 4.5940 4.6094 4.6094 5.0975 5.0975 5.1773 5.1773 5.9732 5.9732 6.0044 6.0044 6.0561 6.0561 6.0742 6.0742 6.2393 6.2393 6.2544 6.2544 7.3003 7.3003 7.3258 7.3258 7.3766 7.3766 7.4021 7.4021 7.6098 7.6098 7.6312 7.6312 8.4192 8.4192 8.4455 8.4455 8.5455 8.5455 8.6025 8.6025 8.9062 8.9062 8.9504 8.9504 8.9983 8.9983 9.1069 9.1069 9.9093 9.9093 9.9619 9.9619 9.9860 9.9860 10.0582 10.0582 10.0776 10.0776 10.1080 10.1080 10.1420 10.1420 10.2979 10.2979 10.3656 10.3656 10.4120 10.4120 k = 0.5000 0.2887 0.6865 ( 14106 PWs) bands (ev): -0.8374 -0.8374 -0.7160 -0.7160 -0.5972 -0.5972 -0.5871 -0.5871 -0.4326 -0.4326 -0.3622 -0.3622 4.2295 4.2295 4.2974 4.2974 4.5973 4.5973 4.6295 4.6295 5.0560 5.0560 5.2145 5.2145 5.9556 5.9556 6.0045 6.0045 6.0639 6.0639 6.0914 6.0914 6.2332 6.2332 6.2633 6.2633 7.2606 7.2606 7.2865 7.2865 7.4066 7.4066 7.4326 7.4326 7.5923 7.5923 7.6325 7.6325 8.4025 8.4025 8.4529 8.4529 8.5159 8.5159 8.6288 8.6288 8.8898 8.8898 8.9467 8.9467 8.9800 8.9800 9.1609 9.1609 9.8697 9.8697 9.9002 9.9002 10.0040 10.0040 10.0440 10.0440 10.0723 10.0723 10.0924 10.0924 10.1248 10.1248 10.3706 10.3706 10.3757 10.3757 10.4493 10.4493 k = 0.5000 0.2887 0.6601 ( 14112 PWs) bands (ev): -0.8947 -0.8947 -0.7597 -0.7597 -0.5919 -0.5919 -0.5350 -0.5350 -0.4131 -0.4131 -0.3330 -0.3330 4.2038 4.2038 4.2989 4.2989 4.6054 4.6054 4.6576 4.6576 5.0145 5.0145 5.2491 5.2491 5.9405 5.9405 5.9950 5.9950 6.0788 6.0788 6.1136 6.1136 6.2281 6.2281 6.2731 6.2731 7.2202 7.2202 7.2459 7.2459 7.4291 7.4291 7.4559 7.4559 7.5752 7.5752 7.6269 7.6269 8.3855 8.3855 8.4559 8.4559 8.4860 8.4860 8.6523 8.6523 8.8763 8.8763 8.9012 8.9012 9.0135 9.0135 9.2119 9.2119 9.8268 9.8268 9.8395 9.8395 9.9657 9.9657 10.0084 10.0084 10.0716 10.0716 10.0922 10.0922 10.1275 10.1275 10.4013 10.4013 10.4481 10.4481 10.4925 10.4925 k = 0.5000 0.2887 0.6337 ( 14130 PWs) bands (ev): -0.9505 -0.9505 -0.8036 -0.8036 -0.6107 -0.6107 -0.4723 -0.4723 -0.3796 -0.3796 -0.3034 -0.3034 4.1782 4.1782 4.2955 4.2955 4.6159 4.6159 4.6923 4.6923 4.9735 4.9735 5.2806 5.2806 5.9286 5.9286 5.9821 5.9821 6.0934 6.0934 6.1406 6.1406 6.2242 6.2242 6.2837 6.2837 7.1796 7.1796 7.2060 7.2060 7.4340 7.4340 7.4726 7.4726 7.5654 7.5654 7.6144 7.6144 8.3697 8.3697 8.4531 8.4531 8.4577 8.4577 8.6711 8.6711 8.8615 8.8615 8.8669 8.8669 9.0513 9.0513 9.2574 9.2574 9.7697 9.7697 9.7929 9.7929 9.8953 9.8953 9.9817 9.9817 10.0657 10.0657 10.0868 10.0868 10.1359 10.1359 10.4438 10.4438 10.5113 10.5113 10.5404 10.5404 k = 0.5000 0.2887 0.6073 ( 14116 PWs) bands (ev): -1.0049 -1.0049 -0.8472 -0.8472 -0.6359 -0.6359 -0.4092 -0.4092 -0.3396 -0.3396 -0.2740 -0.2740 4.1541 4.1541 4.2892 4.2892 4.6268 4.6268 4.7315 4.7315 4.9341 4.9341 5.3084 5.3084 5.9201 5.9201 5.9681 5.9681 6.1064 6.1064 6.1707 6.1707 6.2217 6.2217 6.2949 6.2949 7.1383 7.1383 7.1690 7.1690 7.4132 7.4132 7.4861 7.4861 7.5656 7.5656 7.5953 7.5953 8.3562 8.3562 8.4254 8.4254 8.4511 8.4511 8.6825 8.6825 8.8366 8.8366 8.8561 8.8561 9.0924 9.0924 9.2943 9.2943 9.7098 9.7098 9.7478 9.7478 9.8244 9.8244 9.9539 9.9539 10.0452 10.0452 10.0741 10.0741 10.1570 10.1570 10.4793 10.4793 10.5603 10.5603 10.5916 10.5916 k = 0.5000 0.2887 0.5809 ( 14120 PWs) bands (ev): -1.0576 -1.0576 -0.8902 -0.8902 -0.6639 -0.6639 -0.3460 -0.3460 -0.2970 -0.2970 -0.2452 -0.2452 4.1322 4.1322 4.2818 4.2818 4.6368 4.6368 4.7715 4.7715 4.8989 4.8989 5.3322 5.3322 5.9147 5.9147 5.9540 5.9540 6.1178 6.1178 6.2008 6.2008 6.2220 6.2220 6.3069 6.3069 7.0954 7.0954 7.1370 7.1370 7.3739 7.3739 7.4946 7.4946 7.5679 7.5679 7.5720 7.5720 8.3457 8.3457 8.3958 8.3958 8.4442 8.4442 8.6844 8.6844 8.8247 8.8247 8.8477 8.8477 9.1358 9.1358 9.3190 9.3190 9.6523 9.6523 9.6969 9.6969 9.7563 9.7563 9.9272 9.9272 10.0200 10.0200 10.0665 10.0665 10.1782 10.1782 10.4961 10.4961 10.5900 10.5900 10.6447 10.6447 k = 0.5000 0.2887 0.5545 ( 14106 PWs) bands (ev): -1.1086 -1.1086 -0.9322 -0.9322 -0.6929 -0.6929 -0.2829 -0.2829 -0.2536 -0.2536 -0.2172 -0.2172 4.1131 4.1131 4.2748 4.2748 4.6450 4.6450 4.7994 4.7994 4.8797 4.8797 5.3519 5.3519 5.9107 5.9107 5.9410 5.9410 6.1280 6.1280 6.2151 6.2151 6.2392 6.2392 6.3198 6.3198 7.0510 7.0510 7.1113 7.1113 7.3234 7.3234 7.4944 7.4944 7.5428 7.5428 7.5709 7.5709 8.3381 8.3381 8.3673 8.3673 8.4358 8.4358 8.6788 8.6788 8.8250 8.8250 8.8402 8.8402 9.1801 9.1801 9.3284 9.3284 9.5979 9.5979 9.6391 9.6391 9.6919 9.6919 9.9037 9.9037 9.9986 9.9986 10.0681 10.0681 10.1963 10.1963 10.4974 10.4974 10.6001 10.6001 10.6978 10.6978 k = 0.5000 0.2887 0.5281 ( 14112 PWs) bands (ev): -1.1578 -1.1578 -0.9732 -0.9732 -0.7221 -0.7221 -0.2202 -0.2202 -0.2101 -0.2101 -0.1902 -0.1902 4.0973 4.0973 4.2694 4.2694 4.6510 4.6510 4.7904 4.7904 4.9005 4.9005 5.3675 5.3675 5.9041 5.9041 5.9329 5.9329 6.1370 6.1370 6.2170 6.2170 6.2684 6.2684 6.3343 6.3343 7.0051 7.0051 7.0925 7.0925 7.2657 7.2657 7.4796 7.4796 7.5183 7.5183 7.5682 7.5682 8.3276 8.3276 8.3456 8.3456 8.4263 8.4263 8.6712 8.6712 8.8311 8.8311 8.8338 8.8338 9.2233 9.2233 9.3207 9.3207 9.5466 9.5466 9.5756 9.5756 9.6317 9.6317 9.8849 9.8849 9.9841 9.9841 10.0820 10.0820 10.2109 10.2109 10.4918 10.4918 10.5958 10.5958 10.7479 10.7479 k = 0.5000 0.2887 0.5017 ( 14116 PWs) bands (ev): -1.2051 -1.2051 -1.0129 -1.0129 -0.7510 -0.7510 -0.1675 -0.1675 -0.1648 -0.1648 -0.1573 -0.1573 4.0850 4.0850 4.2663 4.2663 4.6546 4.6546 4.7623 4.7623 4.9429 4.9429 5.3790 5.3790 5.8913 5.8913 5.9324 5.9324 6.1446 6.1446 6.2183 6.2183 6.2947 6.2947 6.3521 6.3521 6.9577 6.9577 7.0809 7.0809 7.2029 7.2029 7.4494 7.4494 7.4979 7.4979 7.5626 7.5626 8.3035 8.3035 8.3416 8.3416 8.4160 8.4160 8.6653 8.6653 8.8263 8.8263 8.8395 8.8395 9.2613 9.2613 9.2966 9.2966 9.4981 9.4981 9.5112 9.5112 9.5773 9.5773 9.8714 9.8714 9.9763 9.9763 10.1090 10.1090 10.2225 10.2225 10.4842 10.4842 10.5830 10.5830 10.7926 10.7926 k = 0.5000 0.2887 0.4753 ( 14092 PWs) bands (ev): -1.2505 -1.2505 -1.0512 -1.0512 -0.7793 -0.7793 -0.1402 -0.1402 -0.1254 -0.1254 -0.0960 -0.0960 4.0762 4.0762 4.2662 4.2662 4.6553 4.6553 4.7321 4.7321 4.9895 4.9895 5.3868 5.3868 5.8744 5.8744 5.9363 5.9363 6.1509 6.1509 6.2195 6.2195 6.3148 6.3148 6.3751 6.3751 6.9088 6.9088 7.0766 7.0766 7.1366 7.1366 7.4133 7.4133 7.4737 7.4737 7.5556 7.5556 8.2758 8.2758 8.3448 8.3448 8.4052 8.4052 8.6626 8.6626 8.8196 8.8196 8.8452 8.8452 9.2573 9.2573 9.2845 9.2845 9.4515 9.4515 9.4593 9.4593 9.5301 9.5301 9.8636 9.8636 9.9743 9.9743 10.1471 10.1471 10.2323 10.2323 10.4767 10.4767 10.5656 10.5656 10.8305 10.8305 k = 0.5000 0.2887 0.4489 ( 14088 PWs) bands (ev): -1.2938 -1.2938 -1.0881 -1.0881 -0.8069 -0.8069 -0.1171 -0.1171 -0.0848 -0.0848 -0.0355 -0.0355 4.0709 4.0709 4.2695 4.2695 4.6525 4.6525 4.7049 4.7049 5.0361 5.0361 5.3914 5.3914 5.8554 5.8554 5.9417 5.9417 6.1557 6.1557 6.2204 6.2204 6.3287 6.3287 6.4025 6.4025 6.8580 6.8580 7.0652 7.0652 7.0824 7.0824 7.3771 7.3771 7.4432 7.4432 7.5480 7.5480 8.2480 8.2480 8.3513 8.3513 8.3938 8.3938 8.6625 8.6625 8.8126 8.8126 8.8470 8.8470 9.2091 9.2091 9.2659 9.2659 9.4109 9.4109 9.4397 9.4397 9.4926 9.4926 9.8617 9.8617 9.9767 9.9767 10.1898 10.1898 10.2452 10.2452 10.4696 10.4696 10.5465 10.5465 10.8618 10.8618 k = 0.5000 0.2887 0.4225 ( 14098 PWs) bands (ev): -1.3349 -1.3349 -1.1232 -1.1232 -0.8334 -0.8334 -0.0956 -0.0956 -0.0457 -0.0457 0.0238 0.0238 4.0689 4.0689 4.2767 4.2767 4.6430 4.6430 4.6850 4.6850 5.0809 5.0809 5.3932 5.3932 5.8351 5.8351 5.9467 5.9467 6.1588 6.1588 6.2206 6.2206 6.3380 6.3380 6.4320 6.4320 6.8051 6.8051 6.9968 6.9968 7.0908 7.0908 7.3441 7.3441 7.4081 7.4081 7.5399 7.5399 8.2206 8.2206 8.3602 8.3602 8.3817 8.3817 8.6641 8.6641 8.8050 8.8050 8.8439 8.8439 9.1541 9.1541 9.2086 9.2086 9.3722 9.3722 9.4436 9.4436 9.4784 9.4784 9.8653 9.8653 9.9822 9.9822 10.2171 10.2171 10.2789 10.2789 10.4627 10.4627 10.5275 10.5275 10.8861 10.8861 k = 0.5000 0.2887 0.3960 ( 14098 PWs) bands (ev): -1.3739 -1.3739 -1.1567 -1.1567 -0.8589 -0.8589 -0.0756 -0.0756 -0.0083 -0.0083 0.0816 0.0816 4.0700 4.0700 4.2879 4.2879 4.6252 4.6252 4.6756 4.6756 5.1228 5.1228 5.3928 5.3928 5.8138 5.8138 5.9500 5.9500 6.1596 6.1596 6.2201 6.2201 6.3439 6.3439 6.4617 6.4617 6.7505 6.7505 6.9269 6.9269 7.1059 7.1059 7.3164 7.3164 7.3712 7.3712 7.5315 7.5315 8.1937 8.1937 8.3659 8.3659 8.3739 8.3739 8.6662 8.6662 8.7968 8.7968 8.8355 8.8355 9.0952 9.0952 9.1374 9.1374 9.3357 9.3357 9.4298 9.4298 9.5043 9.5043 9.8739 9.8739 9.9899 9.9899 10.2244 10.2244 10.3359 10.3359 10.4554 10.4554 10.5100 10.5100 10.8940 10.8940 k = 0.5000 0.2887 0.3696 ( 14098 PWs) bands (ev): -1.4107 -1.4107 -1.1884 -1.1884 -0.8831 -0.8831 -0.0571 -0.0571 0.0272 0.0272 0.1376 0.1376 4.0737 4.0737 4.3033 4.3033 4.6037 4.6037 4.6728 4.6728 5.1607 5.1607 5.3907 5.3907 5.7918 5.7918 5.9505 5.9505 6.1573 6.1573 6.2192 6.2192 6.3466 6.3466 6.4903 6.4903 6.6954 6.6954 6.8577 6.8577 7.1236 7.1236 7.2949 7.2949 7.3369 7.3369 7.5230 7.5230 8.1673 8.1673 8.3525 8.3525 8.3855 8.3855 8.6678 8.6678 8.7878 8.7878 8.8220 8.8220 9.0350 9.0350 9.0632 9.0632 9.3015 9.3015 9.4187 9.4187 9.5399 9.5399 9.8868 9.8868 9.9990 9.9990 10.2249 10.2249 10.3999 10.3999 10.4484 10.4484 10.4953 10.4953 10.8896 10.8896 k = 0.5000 0.2887 0.3432 ( 14110 PWs) bands (ev): -1.4451 -1.4451 -1.2182 -1.2182 -0.9060 -0.9060 -0.0403 -0.0403 0.0607 0.0607 0.1914 0.1914 4.0796 4.0796 4.3229 4.3229 4.5824 4.5824 4.6740 4.6740 5.1936 5.1936 5.3875 5.3875 5.7694 5.7694 5.9470 5.9470 6.1513 6.1513 6.2183 6.2183 6.3457 6.3457 6.5157 6.5157 6.6430 6.6430 6.7903 6.7903 7.1387 7.1387 7.2796 7.2796 7.3128 7.3128 7.5144 7.5144 8.1415 8.1415 8.3362 8.3362 8.4000 8.4000 8.6680 8.6680 8.7781 8.7781 8.8041 8.8041 8.9747 8.9747 8.9903 8.9903 9.2693 9.2693 9.4156 9.4156 9.5761 9.5761 9.9029 9.9029 10.0088 10.0088 10.2227 10.2227 10.4309 10.4309 10.4677 10.4677 10.4923 10.4923 10.8874 10.8874 k = 0.5000 0.2887 0.3168 ( 14102 PWs) bands (ev): -1.4772 -1.4772 -1.2461 -1.2461 -0.9275 -0.9275 -0.0249 -0.0249 0.0920 0.0920 0.2428 0.2428 4.0870 4.0870 4.3468 4.3468 4.5628 4.5628 4.6788 4.6788 5.2203 5.2203 5.3838 5.3838 5.7470 5.7470 5.9381 5.9381 6.1414 6.1414 6.2172 6.2172 6.3406 6.3406 6.5301 6.5301 6.6031 6.6031 6.7254 6.7254 7.1418 7.1418 7.2730 7.2730 7.3062 7.3062 7.5059 7.5059 8.1164 8.1164 8.3178 8.3178 8.4160 8.4160 8.6664 8.6664 8.7678 8.7678 8.7829 8.7829 8.9138 8.9138 8.9223 8.9223 9.2390 9.2390 9.4202 9.4202 9.6109 9.6109 9.9209 9.9209 10.0188 10.0188 10.2187 10.2187 10.4220 10.4220 10.4663 10.4663 10.5530 10.5530 10.8899 10.8899 k = 0.5000 0.2887 0.2904 ( 14096 PWs) bands (ev): -1.5069 -1.5069 -1.2719 -1.2719 -0.9475 -0.9475 -0.0112 -0.0112 0.1210 0.1210 0.2916 0.2916 4.0953 4.0953 4.3747 4.3747 4.5455 4.5455 4.6876 4.6876 5.2398 5.2398 5.3801 5.3801 5.7246 5.7246 5.9224 5.9224 6.1283 6.1283 6.2157 6.2157 6.3311 6.3311 6.5127 6.5127 6.5985 6.5985 6.6640 6.6640 7.1280 7.1280 7.2804 7.2804 7.3170 7.3170 7.4978 7.4978 8.0917 8.0917 8.2969 8.2969 8.4332 8.4332 8.6629 8.6629 8.7566 8.7566 8.7601 8.7601 8.8497 8.8497 8.8639 8.8639 9.2107 9.2107 9.4315 9.4315 9.6434 9.6434 9.9397 9.9397 10.0287 10.0287 10.2135 10.2135 10.4110 10.4110 10.4566 10.4566 10.6263 10.6263 10.8975 10.8975 k = 0.5000 0.2887 0.2640 ( 14102 PWs) bands (ev): -1.5341 -1.5341 -1.2957 -1.2957 -0.9660 -0.9660 0.0011 0.0011 0.1476 0.1476 0.3373 0.3373 4.1039 4.1039 4.4061 4.4061 4.5308 4.5308 4.7012 4.7012 5.2514 5.2514 5.3768 5.3768 5.7024 5.7024 5.8980 5.8980 6.1137 6.1137 6.2132 6.2132 6.3174 6.3174 6.4784 6.4784 6.6057 6.6057 6.6174 6.6174 7.1042 7.1042 7.2980 7.2980 7.3415 7.3415 7.4900 7.4900 8.0676 8.0676 8.2734 8.2734 8.4513 8.4513 8.6573 8.6573 8.7360 8.7360 8.7456 8.7456 8.7881 8.7881 8.8114 8.8114 9.1844 9.1844 9.4483 9.4483 9.6733 9.6733 9.9579 9.9579 10.0382 10.0382 10.2076 10.2076 10.3998 10.3998 10.4477 10.4477 10.7005 10.7005 10.9098 10.9098 k = 0.5000 0.2887 0.2376 ( 14104 PWs) bands (ev): -1.5589 -1.5589 -1.3174 -1.3174 -0.9829 -0.9829 0.0120 0.0120 0.1719 0.1719 0.3797 0.3797 4.1122 4.1122 4.4396 4.4396 4.5200 4.5200 4.7202 4.7202 5.2547 5.2547 5.3737 5.3737 5.6804 5.6804 5.8637 5.8637 6.0995 6.0995 6.2096 6.2096 6.3008 6.3008 6.4452 6.4452 6.5553 6.5553 6.6377 6.6377 7.0781 7.0781 7.3218 7.3218 7.3746 7.3746 7.4830 7.4830 8.0441 8.0441 8.2468 8.2468 8.4700 8.4700 8.6498 8.6498 8.7130 8.7130 8.7305 8.7305 8.7346 8.7346 8.7640 8.7640 9.1601 9.1601 9.4691 9.4691 9.7003 9.7003 9.9746 9.9746 10.0473 10.0473 10.2012 10.2012 10.3883 10.3883 10.4408 10.4408 10.7737 10.7737 10.9260 10.9260 k = 0.5000 0.2887 0.2112 ( 14098 PWs) bands (ev): -1.5811 -1.5811 -1.3369 -1.3369 -0.9981 -0.9981 0.0215 0.0215 0.1936 0.1936 0.4185 0.4185 4.1196 4.1196 4.4690 4.4690 4.5188 4.5188 4.7451 4.7451 5.2501 5.2501 5.3702 5.3702 5.6581 5.6581 5.8201 5.8201 6.0878 6.0878 6.2046 6.2046 6.2833 6.2833 6.4152 6.4152 6.5109 6.5109 6.6585 6.6585 7.0537 7.0537 7.3505 7.3505 7.4119 7.4119 7.4769 7.4769 8.0210 8.0210 8.2171 8.2171 8.4891 8.4891 8.6401 8.6401 8.6791 8.6791 8.6944 8.6944 8.7128 8.7128 8.7292 8.7292 9.1379 9.1379 9.4926 9.4926 9.7243 9.7243 9.9890 9.9890 10.0557 10.0557 10.1946 10.1946 10.3764 10.3764 10.4368 10.4368 10.8438 10.8438 10.9448 10.9448 k = 0.5000 0.2887 0.1848 ( 14090 PWs) bands (ev): -1.6008 -1.6008 -1.3542 -1.3542 -1.0117 -1.0117 0.0296 0.0296 0.2128 0.2128 0.4535 0.4535 4.1259 4.1259 4.4788 4.4788 4.5424 4.5424 4.7761 4.7761 5.2381 5.2381 5.3658 5.3658 5.6342 5.6342 5.7702 5.7702 6.0794 6.0794 6.1983 6.1983 6.2661 6.2661 6.3873 6.3873 6.4746 6.4746 6.6779 6.6779 7.0324 7.0324 7.3823 7.3823 7.4505 7.4505 7.4726 7.4726 7.9983 7.9983 8.1843 8.1843 8.5082 8.5082 8.6281 8.6281 8.6356 8.6356 8.6752 8.6752 8.6783 8.6783 8.7149 8.7149 9.1180 9.1180 9.5178 9.5178 9.7451 9.7451 10.0005 10.0005 10.0632 10.0632 10.1883 10.1883 10.3641 10.3641 10.4363 10.4363 10.9068 10.9068 10.9652 10.9652 k = 0.5000 0.2887 0.1584 ( 14092 PWs) bands (ev): -1.6180 -1.6180 -1.3692 -1.3692 -1.0235 -1.0235 0.0366 0.0366 0.2295 0.2295 0.4844 0.4844 4.1310 4.1310 4.4758 4.4758 4.5830 4.5830 4.8129 4.8129 5.2194 5.2194 5.3606 5.3606 5.6051 5.6051 5.7202 5.7202 6.0746 6.0746 6.1906 6.1906 6.2501 6.2501 6.3613 6.3613 6.4462 6.4462 6.6954 6.6954 7.0147 7.0147 7.4133 7.4133 7.4731 7.4731 7.4890 7.4890 7.9763 7.9763 8.1487 8.1487 8.5267 8.5267 8.5977 8.5977 8.6151 8.6151 8.6423 8.6423 8.6639 8.6639 8.7038 8.7038 9.1004 9.1004 9.5433 9.5433 9.7629 9.7629 10.0089 10.0089 10.0699 10.0699 10.1824 10.1824 10.3519 10.3519 10.4389 10.4389 10.9539 10.9539 10.9857 10.9857 k = 0.5000 0.2887 0.1320 ( 14078 PWs) bands (ev): -1.6325 -1.6325 -1.3820 -1.3820 -1.0335 -1.0335 0.0423 0.0423 0.2436 0.2436 0.5110 0.5110 4.1348 4.1348 4.4710 4.4710 4.6286 4.6286 4.8550 4.8550 5.1943 5.1943 5.3549 5.3549 5.5650 5.5650 5.6790 5.6790 6.0734 6.0734 6.1815 6.1815 6.2353 6.2353 6.3381 6.3381 6.4247 6.4247 6.7107 6.7107 7.0005 7.0005 7.4330 7.4330 7.4877 7.4877 7.5256 7.5256 7.9550 7.9550 8.1112 8.1112 8.5443 8.5443 8.5666 8.5666 8.6015 8.6015 8.6129 8.6129 8.6538 8.6538 8.6937 8.6937 9.0854 9.0854 9.5681 9.5681 9.7776 9.7776 10.0144 10.0144 10.0757 10.0757 10.1772 10.1772 10.3403 10.3403 10.4442 10.4442 10.9730 10.9730 11.0061 11.0061 k = 0.5000 0.2887 0.1056 ( 14084 PWs) bands (ev): -1.6444 -1.6444 -1.3925 -1.3925 -1.0418 -1.0418 0.0469 0.0469 0.2552 0.2552 0.5330 0.5330 4.1376 4.1376 4.4667 4.4667 4.6758 4.6758 4.9014 4.9014 5.1641 5.1641 5.3494 5.3494 5.5121 5.5121 5.6516 5.6516 6.0755 6.0755 6.1707 6.1707 6.2224 6.2224 6.3192 6.3192 6.4086 6.4086 6.7236 6.7236 6.9896 6.9896 7.4376 7.4376 7.5183 7.5183 7.5592 7.5592 7.9349 7.9349 8.0732 8.0732 8.5418 8.5418 8.5604 8.5604 8.5887 8.5887 8.5892 8.5892 8.6463 8.6463 8.6842 8.6842 9.0729 9.0729 9.5910 9.5910 9.7893 9.7893 10.0172 10.0172 10.0804 10.0804 10.1729 10.1729 10.3300 10.3300 10.4511 10.4511 10.9673 10.9673 11.0245 11.0245 k = 0.5000 0.2887 0.0792 ( 14088 PWs) bands (ev): -1.6537 -1.6537 -1.4007 -1.4007 -1.0482 -1.0482 0.0504 0.0504 0.2641 0.2641 0.5503 0.5503 4.1394 4.1394 4.4634 4.4634 4.7221 4.7221 4.9500 4.9500 5.1306 5.1306 5.3447 5.3447 5.4530 5.4530 5.6347 5.6347 6.0806 6.0806 6.1580 6.1580 6.2119 6.2119 6.3050 6.3050 6.3969 6.3969 6.7338 6.7338 6.9816 6.9816 7.4370 7.4370 7.5532 7.5532 7.5884 7.5884 7.9168 7.9168 8.0369 8.0369 8.5230 8.5230 8.5681 8.5681 8.5759 8.5759 8.5791 8.5791 8.6409 8.6409 8.6755 8.6755 9.0632 9.0632 9.6107 9.6107 9.7981 9.7981 10.0181 10.0181 10.0841 10.0841 10.1696 10.1696 10.3215 10.3215 10.4587 10.4587 10.9515 10.9515 11.0396 11.0396 k = 0.5000 0.2887 0.0528 ( 14102 PWs) bands (ev): -1.6603 -1.6603 -1.4066 -1.4066 -1.0528 -1.0528 0.0529 0.0529 0.2705 0.2705 0.5628 0.5628 4.1406 4.1406 4.4610 4.4610 4.7641 4.7641 4.9971 4.9971 5.0975 5.0975 5.3409 5.3409 5.3962 5.3962 5.6243 5.6243 6.0881 6.0881 6.1441 6.1441 6.2045 6.2045 6.2955 6.2955 6.3889 6.3889 6.7413 6.7413 6.9762 6.9762 7.4355 7.4355 7.5848 7.5848 7.6113 7.6113 7.9019 7.9019 8.0055 8.0055 8.5099 8.5099 8.5554 8.5554 8.5709 8.5709 8.5870 8.5870 8.6373 8.6373 8.6680 8.6680 9.0561 9.0561 9.6259 9.6259 9.8041 9.8041 10.0179 10.0179 10.0867 10.0867 10.1674 10.1674 10.3151 10.3151 10.4656 10.4656 10.9356 10.9356 11.0509 11.0509 k = 0.5000 0.2887 0.0264 ( 14092 PWs) bands (ev): -1.6643 -1.6643 -1.4101 -1.4101 -1.0556 -1.0556 0.0543 0.0543 0.2744 0.2744 0.5703 0.5703 4.1412 4.1412 4.4596 4.4596 4.7956 4.7956 5.0351 5.0351 5.0710 5.0710 5.3375 5.3375 5.3528 5.3528 5.6186 5.6186 6.0972 6.0972 6.1307 6.1307 6.2002 6.2002 6.2901 6.2901 6.3842 6.3842 6.7458 6.7458 6.9731 6.9731 7.4343 7.4343 7.6080 7.6080 7.6255 7.6255 7.8920 7.8920 7.9832 7.9832 8.5021 8.5021 8.5472 8.5472 8.5662 8.5662 8.5947 8.5947 8.6353 8.6353 8.6625 8.6625 9.0519 9.0519 9.6356 9.6356 9.8076 9.8076 10.0174 10.0174 10.0882 10.0882 10.1661 10.1661 10.3111 10.3111 10.4704 10.4704 10.9244 10.9244 11.0579 11.0580 k = 0.5000 0.2887-0.0000 ( 14074 PWs) bands (ev): -1.6657 -1.6657 -1.4113 -1.4113 -1.0565 -1.0565 0.0548 0.0548 0.2757 0.2757 0.5728 0.5728 4.1414 4.1414 4.4591 4.4591 4.8079 4.8079 5.0509 5.0509 5.0604 5.0604 5.3304 5.3304 5.3412 5.3412 5.6168 5.6168 6.1032 6.1032 6.1232 6.1232 6.1988 6.1988 6.2884 6.2884 6.3826 6.3826 6.7473 6.7473 6.9720 6.9720 7.4339 7.4339 7.6170 7.6170 7.6301 7.6301 7.8885 7.8885 7.9750 7.9750 8.4996 8.4996 8.5445 8.5445 8.5646 8.5646 8.5975 8.5975 8.6348 8.6348 8.6604 8.6604 9.0505 9.0505 9.6390 9.6390 9.8088 9.8088 10.0171 10.0171 10.0887 10.0887 10.1657 10.1657 10.3097 10.3097 10.4722 10.4722 10.9203 10.9203 11.0603 11.0603 k = 0.3333 0.5774-0.0000 ( 14070 PWs) bands (ev): -1.5117 -1.5117 -1.5081 -1.5081 -1.1295 -1.1295 -0.0422 -0.0422 0.4681 0.4681 0.4736 0.4736 4.5357 4.5357 4.6036 4.6036 4.7037 4.7037 4.7231 4.7231 4.7457 4.7457 5.3622 5.3622 5.4710 5.4710 5.6843 5.6843 5.8800 5.8800 5.9681 5.9681 6.4142 6.4142 6.4169 6.4169 6.5820 6.5820 6.7293 6.7293 6.8008 6.8008 7.5358 7.5358 7.5488 7.5488 7.5630 7.5630 8.0654 8.0654 8.0913 8.0913 8.2207 8.2207 8.5211 8.5211 8.5702 8.5702 8.5993 8.5993 8.6383 8.6383 8.6506 8.6506 9.3907 9.3907 9.3914 9.3914 9.8710 9.8710 9.9697 9.9697 10.0251 10.0251 10.2149 10.2149 10.2247 10.2247 10.5375 10.5375 11.0248 11.0248 11.0276 11.0276 k = 0.3333 0.5774 0.0264 ( 14070 PWs) bands (ev): -1.5105 -1.5105 -1.5068 -1.5068 -1.1285 -1.1285 -0.0426 -0.0426 0.4662 0.4662 0.4717 0.4717 4.5316 4.5316 4.5996 4.5996 4.6929 4.6929 4.7308 4.7308 4.7475 4.7475 5.3650 5.3650 5.4759 5.4759 5.6884 5.6884 5.8826 5.8826 5.9695 5.9695 6.4149 6.4149 6.4166 6.4166 6.5851 6.5851 6.7306 6.7306 6.8000 6.8000 7.5308 7.5308 7.5433 7.5433 7.5636 7.5636 8.0700 8.0700 8.0956 8.0956 8.2220 8.2220 8.5208 8.5208 8.5733 8.5733 8.5975 8.5975 8.6403 8.6403 8.6526 8.6526 9.3890 9.3890 9.3892 9.3892 9.8722 9.8722 9.9702 9.9702 10.0252 10.0252 10.2156 10.2156 10.2254 10.2254 10.5375 10.5375 11.0241 11.0241 11.0267 11.0267 k = 0.3333 0.5774 0.0528 ( 14079 PWs) bands (ev): -1.5067 -1.5067 -1.5031 -1.5031 -1.1257 -1.1257 -0.0440 -0.0440 0.4606 0.4606 0.4660 0.4660 4.5199 4.5199 4.5884 4.5884 4.6714 4.6714 4.7431 4.7431 4.7523 4.7523 5.3723 5.3723 5.4901 5.4901 5.7006 5.7006 5.8904 5.8904 5.9741 5.9741 6.4158 6.4158 6.4168 6.4168 6.5942 6.5942 6.7347 6.7347 6.7974 6.7974 7.5161 7.5161 7.5279 7.5279 7.5646 7.5646 8.0832 8.0832 8.1082 8.1082 8.2258 8.2258 8.5204 8.5204 8.5818 8.5818 8.5923 8.5923 8.6464 8.6464 8.6585 8.6585 9.3831 9.3831 9.3838 9.3838 9.8753 9.8753 9.9712 9.9712 10.0253 10.0253 10.2175 10.2175 10.2274 10.2274 10.5373 10.5373 11.0221 11.0221 11.0241 11.0241 k = 0.3333 0.5774 0.0792 ( 14100 PWs) bands (ev): -1.5004 -1.5004 -1.4968 -1.4968 -1.1210 -1.1210 -0.0464 -0.0464 0.4512 0.4512 0.4566 0.4566 4.5019 4.5019 4.5716 4.5716 4.6441 4.6441 4.7564 4.7564 4.7593 4.7593 5.3816 5.3816 5.5127 5.5127 5.7199 5.7199 5.9027 5.9027 5.9832 5.9832 6.4145 6.4145 6.4196 6.4196 6.6093 6.6093 6.7418 6.7418 6.7932 6.7932 7.4935 7.4935 7.5046 7.5046 7.5659 7.5659 8.1035 8.1035 8.1275 8.1275 8.2319 8.2319 8.5209 8.5209 8.5838 8.5838 8.5948 8.5948 8.6567 8.6567 8.6684 8.6684 9.3734 9.3734 9.3755 9.3755 9.8793 9.8793 9.9717 9.9717 10.0256 10.0256 10.2212 10.2212 10.2314 10.2314 10.5368 10.5368 11.0187 11.0187 11.0198 11.0198 k = 0.3333 0.5774 0.1056 ( 14100 PWs) bands (ev): -1.4916 -1.4916 -1.4880 -1.4880 -1.1144 -1.1144 -0.0498 -0.0498 0.4382 0.4382 0.4434 0.4434 4.4788 4.4788 4.5512 4.5512 4.6131 4.6131 4.7676 4.7676 4.7704 4.7704 5.3896 5.3896 5.5424 5.5424 5.7449 5.7449 5.9181 5.9181 5.9995 5.9995 6.4129 6.4129 6.4230 6.4230 6.6302 6.6302 6.7520 6.7520 6.7873 6.7873 7.4649 7.4649 7.4748 7.4748 7.5675 7.5675 8.1291 8.1291 8.1518 8.1518 8.2404 8.2404 8.5231 8.5231 8.5725 8.5725 8.6114 8.6114 8.6713 8.6713 8.6826 8.6826 9.3610 9.3610 9.3648 9.3648 9.8827 9.8827 9.9703 9.9703 10.0259 10.0259 10.2271 10.2271 10.2379 10.2379 10.5360 10.5360 11.0140 11.0140 11.0142 11.0142 k = 0.3333 0.5774 0.1320 ( 14088 PWs) bands (ev): -1.4803 -1.4803 -1.4767 -1.4767 -1.1060 -1.1060 -0.0542 -0.0542 0.4215 0.4215 0.4266 0.4266 4.4518 4.4518 4.5288 4.5288 4.5807 4.5807 4.7769 4.7769 4.7849 4.7849 5.3939 5.3939 5.5775 5.5775 5.7738 5.7738 5.9337 5.9337 6.0261 6.0261 6.4113 6.4113 6.4263 6.4263 6.6568 6.6568 6.7658 6.7658 6.7799 6.7799 7.4324 7.4324 7.4406 7.4406 7.5696 7.5696 8.1581 8.1581 8.1793 8.1793 8.2509 8.2509 8.5273 8.5273 8.5590 8.5590 8.6310 8.6310 8.6905 8.6905 8.7010 8.7010 9.3466 9.3466 9.3522 9.3522 9.8840 9.8840 9.9659 9.9659 10.0259 10.0259 10.2359 10.2359 10.2476 10.2476 10.5347 10.5347 11.0069 11.0069 11.0087 11.0087 k = 0.3333 0.5774 0.1584 ( 14094 PWs) bands (ev): -1.4665 -1.4665 -1.4629 -1.4629 -1.0957 -1.0957 -0.0597 -0.0597 0.4012 0.4012 0.4062 0.4062 4.4217 4.4217 4.5059 4.5059 4.5491 4.5491 4.7868 4.7868 4.7996 4.7996 5.3925 5.3925 5.6165 5.6165 5.8048 5.8048 5.9481 5.9481 6.0643 6.0643 6.4105 6.4105 6.4289 6.4289 6.6886 6.6886 6.7712 6.7712 6.7833 6.7833 7.3979 7.3979 7.4035 7.4035 7.5724 7.5724 8.1889 8.1889 8.2085 8.2085 8.2633 8.2633 8.5326 8.5326 8.5450 8.5450 8.6533 8.6533 8.7144 8.7144 8.7241 8.7241 9.3308 9.3308 9.3382 9.3382 9.8820 9.8820 9.9578 9.9578 10.0252 10.0252 10.2478 10.2478 10.2607 10.2607 10.5326 10.5326 10.9988 10.9988 11.0023 11.0023 k = 0.3333 0.5774 0.1848 ( 14106 PWs) bands (ev): -1.4503 -1.4503 -1.4467 -1.4467 -1.0837 -1.0837 -0.0663 -0.0663 0.3774 0.3774 0.3823 0.3823 4.3893 4.3893 4.4835 4.4835 4.5202 4.5202 4.7972 4.7972 4.8143 4.8143 5.3848 5.3848 5.6579 5.6579 5.8363 5.8363 5.9618 5.9618 6.1116 6.1116 6.4115 6.4115 6.4303 6.4303 6.7245 6.7245 6.7616 6.7616 6.8044 6.8044 7.3634 7.3634 7.3651 7.3651 7.5760 7.5760 8.2202 8.2202 8.2377 8.2377 8.2772 8.2772 8.5249 8.5249 8.5452 8.5452 8.6779 8.6779 8.7435 8.7435 8.7521 8.7521 9.3143 9.3143 9.3234 9.3234 9.8759 9.8759 9.9458 9.9458 10.0235 10.0235 10.2628 10.2628 10.2768 10.2768 10.5295 10.5295 10.9898 10.9899 10.9955 10.9955 k = 0.3333 0.5774 0.2112 ( 14088 PWs) bands (ev): -1.4317 -1.4317 -1.4281 -1.4281 -1.0699 -1.0699 -0.0742 -0.0742 0.3502 0.3502 0.3549 0.3549 4.3556 4.3556 4.4626 4.4626 4.4948 4.4948 4.8080 4.8080 4.8288 4.8288 5.3706 5.3706 5.7004 5.7004 5.8671 5.8671 5.9762 5.9762 6.1632 6.1632 6.4169 6.4169 6.4298 6.4298 6.7465 6.7465 6.7688 6.7688 6.8286 6.8286 7.3273 7.3273 7.3309 7.3309 7.5804 7.5804 8.2507 8.2507 8.2659 8.2659 8.2924 8.2924 8.5086 8.5086 8.5561 8.5561 8.7047 8.7047 8.7778 8.7778 8.7852 8.7852 9.2974 9.2974 9.3080 9.3080 9.8656 9.8656 9.9303 9.9303 10.0208 10.0208 10.2806 10.2806 10.2954 10.2954 10.5252 10.5252 10.9802 10.9802 10.9883 10.9883 k = 0.3333 0.5774 0.2376 ( 14082 PWs) bands (ev): -1.4106 -1.4106 -1.4070 -1.4070 -1.0544 -1.0544 -0.0833 -0.0833 0.3198 0.3198 0.3243 0.3243 4.3219 4.3219 4.4439 4.4439 4.4735 4.4735 4.8188 4.8188 4.8430 4.8430 5.3502 5.3502 5.7429 5.7429 5.8961 5.8961 5.9925 5.9925 6.2119 6.2119 6.4271 6.4271 6.4314 6.4314 6.7360 6.7360 6.8102 6.8102 6.8548 6.8548 7.2918 7.2918 7.3026 7.3026 7.5858 7.5858 8.2795 8.2795 8.2917 8.2917 8.3087 8.3087 8.4922 8.4922 8.5699 8.5699 8.7334 8.7334 8.8175 8.8175 8.8235 8.8235 9.2803 9.2803 9.2923 9.2923 9.8515 9.8515 9.9118 9.9118 10.0172 10.0172 10.3006 10.3006 10.3155 10.3155 10.5195 10.5195 10.9649 10.9651 10.9813 10.9813 k = 0.3333 0.5774 0.2640 ( 14082 PWs) bands (ev): -1.3872 -1.3872 -1.3836 -1.3836 -1.0372 -1.0372 -0.0938 -0.0938 0.2862 0.2862 0.2906 0.2906 4.2892 4.2892 4.4279 4.4279 4.4563 4.4563 4.8296 4.8296 4.8566 4.8566 5.3239 5.3239 5.7846 5.7846 5.9225 5.9225 6.0110 6.0110 6.2490 6.2490 6.4218 6.4218 6.4613 6.4613 6.7238 6.7238 6.8536 6.8536 6.8812 6.8812 7.2610 7.2610 7.2814 7.2814 7.5921 7.5921 8.3057 8.3057 8.3138 8.3138 8.3260 8.3260 8.4770 8.4770 8.5861 8.5861 8.7637 8.7637 8.8627 8.8627 8.8671 8.8671 9.2633 9.2633 9.2763 9.2763 9.8345 9.8345 9.8910 9.8910 10.0128 10.0128 10.3220 10.3220 10.3363 10.3363 10.5121 10.5121 10.9269 10.9269 10.9663 10.9663 k = 0.3333 0.5774 0.2904 ( 14070 PWs) bands (ev): -1.3615 -1.3615 -1.3579 -1.3579 -1.0183 -1.0183 -0.1056 -0.1056 0.2497 0.2497 0.2539 0.2539 4.2587 4.2587 4.4151 4.4151 4.4433 4.4433 4.8399 4.8399 4.8692 4.8692 5.2925 5.2925 5.8246 5.8246 5.9460 5.9460 6.0318 6.0318 6.2698 6.2698 6.4139 6.4139 6.5084 6.5084 6.7126 6.7126 6.8947 6.8947 6.9053 6.9053 7.2384 7.2384 7.2700 7.2700 7.5995 7.5995 8.3288 8.3288 8.3313 8.3313 8.3436 8.3436 8.4644 8.4644 8.6046 8.6046 8.7952 8.7952 8.9129 8.9129 8.9159 8.9159 9.2463 9.2463 9.2602 9.2602 9.8156 9.8156 9.8691 9.8691 10.0079 10.0079 10.3442 10.3442 10.3572 10.3572 10.5029 10.5029 10.8834 10.8834 10.9337 10.9337 k = 0.3333 0.5774 0.3168 ( 14070 PWs) bands (ev): -1.3335 -1.3335 -1.3299 -1.3299 -0.9979 -0.9979 -0.1190 -0.1190 0.2103 0.2103 0.2144 0.2144 4.2311 4.2311 4.4057 4.4057 4.4344 4.4344 4.8496 4.8496 4.8807 4.8807 5.2565 5.2565 5.8623 5.8623 5.9669 5.9669 6.0536 6.0536 6.2777 6.2777 6.4031 6.4031 6.5644 6.5644 6.7068 6.7068 6.9248 6.9248 6.9289 6.9289 7.2284 7.2284 7.2712 7.2712 7.6080 7.6080 8.3444 8.3444 8.3484 8.3484 8.3599 8.3599 8.4558 8.4558 8.6252 8.6252 8.8278 8.8278 8.9678 8.9678 8.9692 8.9692 9.2294 9.2294 9.2438 9.2438 9.7961 9.7961 9.8472 9.8472 10.0026 10.0026 10.3667 10.3667 10.3778 10.3778 10.4916 10.4917 10.8394 10.8394 10.8847 10.8847 k = 0.3333 0.5774 0.3432 ( 14076 PWs) bands (ev): -1.3032 -1.3032 -1.2996 -1.2996 -0.9759 -0.9759 -0.1338 -0.1338 0.1683 0.1683 0.1723 0.1723 4.2070 4.2070 4.3999 4.3999 4.4295 4.4295 4.8582 4.8582 4.8905 4.8905 5.2165 5.2165 5.8972 5.8972 5.9860 5.9860 6.0750 6.0750 6.2783 6.2783 6.3896 6.3896 6.6081 6.6081 6.7214 6.7214 6.9386 6.9386 6.9519 6.9519 7.2354 7.2354 7.2859 7.2859 7.6173 7.6173 8.3526 8.3526 8.3644 8.3644 8.3734 8.3734 8.4530 8.4530 8.6478 8.6478 8.8609 8.8609 9.0266 9.0266 9.0267 9.0267 9.2124 9.2124 9.2270 9.2270 9.7774 9.7774 9.8266 9.8266 9.9970 9.9970 10.3893 10.3893 10.3976 10.3976 10.4785 10.4785 10.7963 10.7963 10.8376 10.8376 k = 0.3333 0.5774 0.3696 ( 14073 PWs) bands (ev): -1.2707 -1.2707 -1.2672 -1.2672 -0.9525 -0.9525 -0.1502 -0.1502 0.1239 0.1239 0.1277 0.1277 4.1870 4.1870 4.3978 4.3978 4.4286 4.4286 4.8655 4.8655 4.8980 4.8980 5.1733 5.1733 5.9290 5.9290 6.0039 6.0039 6.0942 6.0942 6.2755 6.2755 6.3735 6.3735 6.6187 6.6187 6.7729 6.7729 6.9480 6.9480 6.9631 6.9631 7.2597 7.2597 7.3126 7.3126 7.6275 7.6275 8.3558 8.3558 8.3771 8.3771 8.3838 8.3838 8.4567 8.4567 8.6723 8.6723 8.8942 8.8942 9.0868 9.0868 9.0886 9.0886 9.1951 9.1951 9.2097 9.2097 9.7610 9.7610 9.8086 9.8086 9.9913 9.9913 10.4117 10.4117 10.4160 10.4160 10.4641 10.4641 10.7551 10.7551 10.7933 10.7933 k = 0.3333 0.5774 0.3960 ( 14082 PWs) bands (ev): -1.2361 -1.2361 -1.2326 -1.2326 -0.9277 -0.9277 -0.1682 -0.1682 0.0773 0.0773 0.0810 0.0810 4.1714 4.1714 4.3994 4.3994 4.4316 4.4316 4.8709 4.8709 4.9025 4.9025 5.1278 5.1278 5.9573 5.9573 6.0210 6.0210 6.1098 6.1098 6.2716 6.2716 6.3553 6.3553 6.6105 6.6105 6.8441 6.8441 6.9557 6.9557 6.9670 6.9670 7.2967 7.2967 7.3476 7.3476 7.6382 7.6382 8.3553 8.3553 8.3868 8.3868 8.3915 8.3915 8.4658 8.4658 8.6984 8.6984 8.9271 8.9271 9.1482 9.1482 9.1522 9.1522 9.1779 9.1779 9.1915 9.1915 9.7485 9.7485 9.7948 9.7948 9.9857 9.9857 10.4284 10.4284 10.4340 10.4340 10.4533 10.4533 10.7163 10.7163 10.7524 10.7524 k = 0.3333 0.5774 0.4225 ( 14091 PWs) bands (ev): -1.1995 -1.1995 -1.1960 -1.1960 -0.9016 -0.9016 -0.1877 -0.1877 0.0287 0.0287 0.0323 0.0323 4.1605 4.1605 4.4048 4.4048 4.4383 4.4383 4.8741 4.8741 4.9028 4.9028 5.0814 5.0814 5.9821 5.9821 6.0373 6.0373 6.1213 6.1213 6.2678 6.2678 6.3352 6.3352 6.5964 6.5964 6.9187 6.9187 6.9644 6.9644 6.9713 6.9713 7.3402 7.3402 7.3871 7.3871 7.6493 7.6493 8.3534 8.3534 8.3944 8.3944 8.3973 8.3973 8.4779 8.4779 8.7260 8.7260 8.9592 8.9592 9.1569 9.1569 9.1712 9.1712 9.2123 9.2123 9.2171 9.2171 9.7418 9.7418 9.7867 9.7867 9.9804 9.9804 10.4193 10.4193 10.4563 10.4563 10.4620 10.4620 10.6805 10.6805 10.7156 10.7156 k = 0.3333 0.5774 0.4489 ( 14109 PWs) bands (ev): -1.1608 -1.1608 -1.1573 -1.1573 -0.8743 -0.8743 -0.2089 -0.2089 -0.0217 -0.0217 -0.0182 -0.0182 4.1544 4.1544 4.4138 4.4138 4.4487 4.4487 4.8748 4.8748 4.8970 4.8970 5.0360 5.0360 6.0033 6.0033 6.0526 6.0526 6.1286 6.1286 6.2648 6.2648 6.3140 6.3140 6.5801 6.5801 6.9628 6.9628 6.9762 6.9762 7.0092 7.0092 7.3846 7.3846 7.4270 7.4270 7.6604 7.6604 8.3519 8.3519 8.4011 8.4011 8.4023 8.4023 8.4912 8.4912 8.7549 8.7549 8.9897 8.9897 9.1364 9.1364 9.1497 9.1497 9.2730 9.2730 9.2802 9.2802 9.7423 9.7423 9.7856 9.7856 9.9757 9.9757 10.4002 10.4002 10.4786 10.4786 10.4792 10.4792 10.6481 10.6481 10.6837 10.6837 k = 0.3333 0.5774 0.4753 ( 14112 PWs) bands (ev): -1.1202 -1.1202 -1.1168 -1.1168 -0.8459 -0.8459 -0.2315 -0.2315 -0.0736 -0.0736 -0.0701 -0.0701 4.1533 4.1533 4.4262 4.4262 4.4626 4.4626 4.8726 4.8726 4.8813 4.8813 4.9956 4.9956 6.0211 6.0211 6.0661 6.0661 6.1331 6.1331 6.2625 6.2625 6.2922 6.2922 6.5625 6.5625 6.9749 6.9749 6.9923 6.9923 7.0826 7.0826 7.4259 7.4259 7.4642 7.4642 7.6710 7.6710 8.3520 8.3520 8.4081 8.4081 8.4085 8.4085 8.5043 8.5043 8.7849 8.7849 9.0181 9.0181 9.1135 9.1135 9.1258 9.1258 9.3307 9.3307 9.3409 9.3409 9.7510 9.7510 9.7922 9.7922 9.9720 9.9720 10.3791 10.3791 10.4973 10.4973 10.5013 10.5013 10.6197 10.6197 10.6573 10.6573 k = 0.3333 0.5774 0.5017 ( 14097 PWs) bands (ev): -1.0778 -1.0778 -1.0743 -1.0743 -0.8164 -0.8164 -0.2557 -0.2557 -0.1267 -0.1267 -0.1234 -0.1234 4.1572 4.1572 4.4419 4.4419 4.4796 4.4796 4.8523 4.8523 4.8672 4.8672 4.9639 4.9639 6.0359 6.0359 6.0769 6.0769 6.1367 6.1367 6.2606 6.2606 6.2704 6.2704 6.5442 6.5442 6.9902 6.9902 7.0134 7.0134 7.1564 7.1564 7.4608 7.4608 7.4954 7.4954 7.6805 7.6805 8.3545 8.3545 8.4165 8.4165 8.4183 8.4183 8.5164 8.5164 8.8156 8.8156 9.0435 9.0435 9.0878 9.0878 9.0991 9.0991 9.3842 9.3842 9.3979 9.3979 9.7677 9.7677 9.8064 9.8064 9.9697 9.9697 10.3575 10.3575 10.5143 10.5143 10.5247 10.5247 10.5967 10.5967 10.6371 10.6371 k = 0.3333 0.5774 0.5281 ( 14091 PWs) bands (ev): -1.0335 -1.0335 -1.0301 -1.0301 -0.7860 -0.7860 -0.2812 -0.2812 -0.1810 -0.1810 -0.1777 -0.1777 4.1660 4.1660 4.4607 4.4607 4.4995 4.4995 4.8109 4.8109 4.8584 4.8584 4.9404 4.9404 6.0480 6.0480 6.0840 6.0840 6.1410 6.1410 6.2491 6.2491 6.2595 6.2595 6.5251 6.5251 7.0114 7.0114 7.0395 7.0395 7.2269 7.2269 7.4869 7.4869 7.5184 7.5184 7.6885 7.6885 8.3598 8.3598 8.4294 8.4294 8.4324 8.4324 8.5266 8.5266 8.8468 8.8468 9.0590 9.0590 9.0620 9.0620 9.0727 9.0727 9.4333 9.4333 9.4507 9.4507 9.7906 9.7906 9.8265 9.8265 9.9695 9.9695 10.3357 10.3357 10.5258 10.5258 10.5494 10.5494 10.5837 10.5837 10.6238 10.6238 k = 0.3333 0.5774 0.5545 ( 14073 PWs) bands (ev): -0.9876 -0.9876 -0.9842 -0.9842 -0.7549 -0.7549 -0.3082 -0.3082 -0.2361 -0.2361 -0.2328 -0.2328 4.1798 4.1798 4.4822 4.4822 4.5219 4.5219 4.7624 4.7624 4.8462 4.8462 4.9202 4.9202 6.0581 6.0581 6.0877 6.0877 6.1459 6.1459 6.2287 6.2287 6.2599 6.2599 6.5053 6.5053 7.0388 7.0388 7.0704 7.0704 7.2930 7.2930 7.5028 7.5028 7.5312 7.5312 7.6942 7.6942 8.3681 8.3681 8.4481 8.4481 8.4521 8.4521 8.5343 8.5343 8.8781 8.8781 9.0270 9.0270 9.0348 9.0348 9.0845 9.0845 9.4787 9.4787 9.4999 9.4999 9.8157 9.8157 9.8489 9.8489 9.9721 9.9721 10.3137 10.3137 10.5241 10.5241 10.5765 10.5765 10.5889 10.5889 10.6186 10.6186 k = 0.3333 0.5774 0.5809 ( 14088 PWs) bands (ev): -0.9401 -0.9401 -0.9367 -0.9367 -0.7230 -0.7230 -0.3364 -0.3364 -0.2919 -0.2919 -0.2886 -0.2886 4.1984 4.1984 4.5062 4.5062 4.5460 4.5460 4.7114 4.7114 4.8306 4.8306 4.8998 4.8998 6.0668 6.0668 6.0895 6.0895 6.1496 6.1496 6.2095 6.2095 6.2633 6.2633 6.4849 6.4849 7.0717 7.0717 7.1055 7.1055 7.3534 7.3534 7.5080 7.5080 7.5331 7.5331 7.6969 7.6969 8.3795 8.3795 8.4735 8.4735 8.4782 8.4782 8.5390 8.5390 8.9091 8.9091 8.9919 8.9919 8.9988 8.9988 9.0974 9.0974 9.5218 9.5218 9.5463 9.5463 9.8381 9.8381 9.8693 9.8693 9.9783 9.9783 10.2912 10.2912 10.5138 10.5138 10.6062 10.6062 10.6073 10.6073 10.6243 10.6243 k = 0.3333 0.5774 0.6073 ( 14103 PWs) bands (ev): -0.8911 -0.8911 -0.8878 -0.8878 -0.6905 -0.6905 -0.3657 -0.3657 -0.3480 -0.3480 -0.3447 -0.3447 4.2216 4.2216 4.5324 4.5324 4.5694 4.5694 4.6621 4.6621 4.8117 4.8117 4.8777 4.8777 6.0748 6.0748 6.0912 6.0912 6.1503 6.1503 6.1915 6.1915 6.2708 6.2708 6.4639 6.4639 7.1092 7.1092 7.1442 7.1442 7.4059 7.4059 7.5047 7.5047 7.5242 7.5242 7.6960 7.6960 8.3940 8.3940 8.5052 8.5052 8.5106 8.5106 8.5405 8.5405 8.9383 8.9383 8.9539 8.9539 8.9610 8.9610 9.1054 9.1054 9.5640 9.5640 9.5912 9.5912 9.8532 9.8532 9.8832 9.8832 9.9885 9.9885 10.2671 10.2671 10.5035 10.5035 10.6227 10.6228 10.6429 10.6429 10.6456 10.6456 k = 0.3333 0.5774 0.6337 ( 14115 PWs) bands (ev): -0.8408 -0.8408 -0.8374 -0.8374 -0.6576 -0.6576 -0.4044 -0.4044 -0.4015 -0.4015 -0.3955 -0.3955 4.2493 4.2493 4.5603 4.5603 4.5760 4.5760 4.6315 4.6315 4.7898 4.7898 4.8533 4.8533 6.0826 6.0826 6.0936 6.0936 6.1473 6.1473 6.1747 6.1747 6.2825 6.2825 6.4424 6.4424 7.1503 7.1503 7.1858 7.1858 7.4403 7.4403 7.5039 7.5039 7.5055 7.5055 7.6911 7.6911 8.4110 8.4110 8.5336 8.5336 8.5474 8.5474 8.5485 8.5485 8.9131 8.9131 8.9161 8.9161 8.9707 8.9707 9.1081 9.1081 9.6061 9.6061 9.6354 9.6354 9.8577 9.8577 9.8875 9.8875 10.0032 10.0032 10.2405 10.2405 10.4965 10.4965 10.6412 10.6412 10.6625 10.6625 10.6839 10.6840 k = 0.3333 0.5774 0.6601 ( 14112 PWs) bands (ev): -0.7891 -0.7891 -0.7859 -0.7859 -0.6244 -0.6244 -0.4608 -0.4608 -0.4576 -0.4576 -0.4270 -0.4270 4.2812 4.2812 4.5396 4.5396 4.5895 4.5895 4.6463 4.6463 4.7652 4.7652 4.8267 4.8267 6.0907 6.0907 6.0973 6.0973 6.1414 6.1414 6.1592 6.1592 6.2978 6.2978 6.4207 6.4207 7.1940 7.1940 7.2295 7.2295 7.4355 7.4355 7.4784 7.4784 7.5280 7.5280 7.6817 7.6817 8.4299 8.4299 8.5295 8.5295 8.5874 8.5874 8.5907 8.5907 8.8700 8.8700 8.8720 8.8720 8.9984 8.9984 9.1055 9.1055 9.6485 9.6485 9.6793 9.6793 9.8505 9.8505 9.8808 9.8808 10.0229 10.0229 10.2109 10.2109 10.4943 10.4943 10.6233 10.6233 10.6714 10.6714 10.7296 10.7318 k = 0.3333 0.5774 0.6865 ( 14130 PWs) bands (ev): -0.7364 -0.7364 -0.7331 -0.7331 -0.5911 -0.5911 -0.5169 -0.5169 -0.5138 -0.5138 -0.4590 -0.4590 4.3171 4.3171 4.4921 4.4921 4.6195 4.6195 4.6747 4.6747 4.7385 4.7385 4.7981 4.7981 6.0995 6.0995 6.1025 6.1025 6.1337 6.1337 6.1449 6.1449 6.3156 6.3156 6.3989 6.3989 7.2391 7.2391 7.2744 7.2744 7.4074 7.4074 7.4447 7.4447 7.5629 7.5629 7.6676 7.6676 8.4498 8.4498 8.5193 8.5193 8.6329 8.6329 8.6360 8.6360 8.8249 8.8249 8.8257 8.8257 9.0245 9.0245 9.0978 9.0978 9.6908 9.6908 9.7224 9.7224 9.8322 9.8322 9.8632 9.8632 10.0475 10.0475 10.1783 10.1783 10.4978 10.4978 10.5829 10.5829 10.7057 10.7057 10.7762 10.7766 k = 0.3333 0.5774 0.7129 ( 14142 PWs) bands (ev): -0.6827 -0.6827 -0.6794 -0.6794 -0.5728 -0.5728 -0.5696 -0.5696 -0.5576 -0.5576 -0.4915 -0.4915 4.3565 4.3565 4.4447 4.4447 4.6500 4.6500 4.7056 4.7056 4.7100 4.7100 4.7680 4.7680 6.1092 6.1092 6.1092 6.1092 6.1253 6.1253 6.1319 6.1319 6.3351 6.3351 6.3772 6.3772 7.2845 7.2845 7.3195 7.3195 7.3704 7.3704 7.4059 7.4059 7.5959 7.5959 7.6486 7.6486 8.4697 8.4697 8.5054 8.5054 8.6807 8.6807 8.6831 8.6831 8.7780 8.7780 8.7783 8.7783 9.0481 9.0481 9.0853 9.0853 9.7319 9.7319 9.7640 9.7640 9.8048 9.8048 9.8364 9.8364 10.0767 10.0767 10.1438 10.1438 10.5078 10.5078 10.5497 10.5497 10.7479 10.7479 10.8177 10.8178 k = 0.3333 0.5774 0.7393 ( 14142 PWs) bands (ev): -0.6281 -0.6281 -0.6281 -0.6281 -0.6248 -0.6248 -0.6248 -0.6248 -0.5245 -0.5245 -0.5245 -0.5245 4.3992 4.3992 4.3992 4.3992 4.6803 4.6803 4.6803 4.6803 4.7370 4.7370 4.7370 4.7370 6.1169 6.1169 6.1169 6.1169 6.1200 6.1200 6.1200 6.1200 6.3558 6.3558 6.3558 6.3558 7.3288 7.3288 7.3288 7.3288 7.3637 7.3637 7.3637 7.3637 7.6246 7.6246 7.6246 7.6246 8.4886 8.4886 8.4886 8.4886 8.7294 8.7294 8.7294 8.7294 8.7308 8.7308 8.7308 8.7308 9.0685 9.0685 9.0685 9.0685 9.7706 9.7706 9.7706 9.7706 9.8026 9.8026 9.8026 9.8026 10.1094 10.1094 10.1094 10.1094 10.5249 10.5249 10.5249 10.5249 10.7964 10.7964 10.7964 10.7965 Writing output data file Zr5Sb3.save init_run : 0.37s CPU 0.51s WALL ( 1 calls) electrons : 1744.96s CPU 1755.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 1744.96s CPU 1755.21s 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 : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.15s WALL ( 213 calls) cegterg : 1620.45s CPU 1628.99s WALL ( 778 calls) Called by sum_band: Called by *egterg: h_psi : 981.92s CPU 989.47s WALL ( 14148 calls) s_psi : 33.34s CPU 33.30s WALL ( 14148 calls) g_psi : 0.85s CPU 0.90s WALL ( 13157 calls) cdiaghg : 586.02s CPU 587.62s WALL ( 13370 calls) cegterg:over : 58.00s CPU 57.84s WALL ( 13157 calls) cegterg:upda : 36.06s CPU 36.08s WALL ( 13157 calls) cegterg:last : 21.98s CPU 22.06s WALL ( 1884 calls) cdiaghg:chol : 20.39s CPU 20.52s WALL ( 13370 calls) cdiaghg:inve : 16.38s CPU 16.53s WALL ( 13370 calls) cdiaghg:para : 54.93s CPU 55.38s WALL ( 26740 calls) Called by h_psi: h_psi:vloc : 885.03s CPU 892.29s WALL ( 14148 calls) h_psi:vnl : 95.81s CPU 95.98s WALL ( 14148 calls) add_vuspsi : 44.13s CPU 44.14s WALL ( 14148 calls) General routines calbec : 51.60s CPU 51.79s WALL ( 14148 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 869.78s CPU 877.13s WALL ( 1868264 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.29s CPU 0.78s WALL ( 426 calls) Parallel routines fft_scatter : 712.88s CPU 718.30s WALL ( 1868287 calls) PWSCF : 30m29.76s CPU 30m55.88s WALL This run was terminated on: 10: 7:15 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=