Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:23:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeSn.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 23 7 1003 677 107 Max 33 24 8 1008 690 111 Sum 1099 847 253 36235 24517 3959 bravais-lattice index = 14 lattice parameter (alat) = 7.9671 a.u. unit-cell volume = 544.7422 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.967085 celldm(2)= 1.000000 celldm(3)= 1.243833 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 1.243833 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.803966 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 Fe 8.00 55.84500 Fe( 1.00) Sn 14.00 118.71000 Sn( 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 ) ( 0.6219165 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6219165 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6219165 ) 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 ) ( 0.6219165 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6219165 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6219165 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6219165 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6219165 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6219165 ) 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 ) ( 0.6219165 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6219165 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6219165 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0029674 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0029674 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0029674 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0029674 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0029674 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0029674 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0029674 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0029674 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0029674 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0029674 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0029674 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0029674 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0029674 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0029674 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0029674 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0029674 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0029674 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0029674 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0029674 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0029674 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0029674 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0029674 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0029674 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0029674 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0029674 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0029674 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0029674 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0029674 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0029674 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0029674 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0029674 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0029674 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0029674 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0029674 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0029674 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0029674 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0029674 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0029674 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0029674 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0029674 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0029674 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0029674 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0029674 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0029674 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0029674 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0029674 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0029674 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0029674 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0029674 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0029674 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0029674 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0029674 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0029674 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0029674 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0029674 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0029674 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0029674 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0029674 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0029674 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0029674 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0029674 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0029674 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0029674 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0029674 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0029674 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0029674 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0029674 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0029674 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0029674 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0029674 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0029674 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029674 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0029674 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0029674 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0029674 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0029674 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0029674 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0029674 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0029674 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0029674 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0029674 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0029674 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0029674 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0029674 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0029674 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0029674 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0029674 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0029674 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0029674 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0029674 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0029674 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0029674 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 124) = ( 0.0000000 0.0000000 0.0133994), wk = 0.0029674 k( 125) = ( 0.0000000 0.0000000 0.0267989), wk = 0.0029674 k( 126) = ( 0.0000000 0.0000000 0.0401983), wk = 0.0029674 k( 127) = ( 0.0000000 0.0000000 0.0535978), wk = 0.0029674 k( 128) = ( 0.0000000 0.0000000 0.0669972), wk = 0.0029674 k( 129) = ( 0.0000000 0.0000000 0.0803966), wk = 0.0029674 k( 130) = ( 0.0000000 0.0000000 0.0937961), wk = 0.0029674 k( 131) = ( 0.0000000 0.0000000 0.1071955), wk = 0.0029674 k( 132) = ( 0.0000000 0.0000000 0.1205950), wk = 0.0029674 k( 133) = ( 0.0000000 0.0000000 0.1339944), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.1473938), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.1607933), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.1741927), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.1875922), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.2009916), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.2143911), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.2277905), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.2411899), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.2545894), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.2679888), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.2813883), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.2947877), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.3081871), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.3215866), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.3349860), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.3483855), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.3617849), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.3751843), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.3885838), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.4019832), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.4019832), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.4019832), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.4019832), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.4019832), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.4019832), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.4019832), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.4019832), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.4019832), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.4019832), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.4019832), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.4019832), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.4019832), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.4019832), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.4019832), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.4019832), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.4019832), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.4019832), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.4019832), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.4019832), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.4019832), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.4019832), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.4019832), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.4019832), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.4019832), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.4019832), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.4019832), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.4019832), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.4019832), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.4019832), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.4019832), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.4019832), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.4019832), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.4019832), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.4019832), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.4019832), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.4019832), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.4019832), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.4019832), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.4019832), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.4019832), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.4019832), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.4019832), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.4019832), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.4019832), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.4019832), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.4019832), wk = 0.0029674 k( 200) = ( 0.4933333 0.3002221 0.4019832), wk = 0.0029674 k( 201) = ( 0.4866667 0.3117692 0.4019832), wk = 0.0029674 k( 202) = ( 0.4800000 0.3233162 0.4019832), wk = 0.0029674 k( 203) = ( 0.4733333 0.3348632 0.4019832), wk = 0.0029674 k( 204) = ( 0.4666667 0.3464102 0.4019832), wk = 0.0029674 k( 205) = ( 0.4600000 0.3579572 0.4019832), wk = 0.0029674 k( 206) = ( 0.4533333 0.3695042 0.4019832), wk = 0.0029674 k( 207) = ( 0.4466667 0.3810512 0.4019832), wk = 0.0029674 k( 208) = ( 0.4400000 0.3925982 0.4019832), wk = 0.0029674 k( 209) = ( 0.4333333 0.4041452 0.4019832), wk = 0.0029674 k( 210) = ( 0.4266667 0.4156922 0.4019832), wk = 0.0029674 k( 211) = ( 0.4200000 0.4272392 0.4019832), wk = 0.0029674 k( 212) = ( 0.4133333 0.4387862 0.4019832), wk = 0.0029674 k( 213) = ( 0.4066667 0.4503332 0.4019832), wk = 0.0029674 k( 214) = ( 0.4000000 0.4618802 0.4019832), wk = 0.0029674 k( 215) = ( 0.3933333 0.4734272 0.4019832), wk = 0.0029674 k( 216) = ( 0.3866667 0.4849742 0.4019832), wk = 0.0029674 k( 217) = ( 0.3800000 0.4965212 0.4019832), wk = 0.0029674 k( 218) = ( 0.3733333 0.5080682 0.4019832), wk = 0.0029674 k( 219) = ( 0.3666667 0.5196152 0.4019832), wk = 0.0029674 k( 220) = ( 0.3600000 0.5311622 0.4019832), wk = 0.0029674 k( 221) = ( 0.3533333 0.5427092 0.4019832), wk = 0.0029674 k( 222) = ( 0.3466667 0.5542563 0.4019832), wk = 0.0029674 k( 223) = ( 0.3400000 0.5658033 0.4019832), wk = 0.0029674 k( 224) = ( 0.3333333 0.5773503 0.4019832), wk = 0.0029674 k( 225) = ( 0.3333333 0.5773503 0.4019832), wk = 0.0029674 k( 226) = ( 0.3266667 0.5658033 0.4019832), wk = 0.0029674 k( 227) = ( 0.3200000 0.5542563 0.4019832), wk = 0.0029674 k( 228) = ( 0.3133333 0.5427092 0.4019832), wk = 0.0029674 k( 229) = ( 0.3066667 0.5311623 0.4019832), wk = 0.0029674 k( 230) = ( 0.3000000 0.5196152 0.4019832), wk = 0.0029674 k( 231) = ( 0.2933333 0.5080682 0.4019832), wk = 0.0029674 k( 232) = ( 0.2866667 0.4965212 0.4019832), wk = 0.0029674 k( 233) = ( 0.2800000 0.4849742 0.4019832), wk = 0.0029674 k( 234) = ( 0.2733333 0.4734272 0.4019832), wk = 0.0029674 k( 235) = ( 0.2666667 0.4618802 0.4019832), wk = 0.0029674 k( 236) = ( 0.2600000 0.4503332 0.4019832), wk = 0.0029674 k( 237) = ( 0.2533333 0.4387862 0.4019832), wk = 0.0029674 k( 238) = ( 0.2466667 0.4272392 0.4019832), wk = 0.0029674 k( 239) = ( 0.2400000 0.4156922 0.4019832), wk = 0.0029674 k( 240) = ( 0.2333333 0.4041452 0.4019832), wk = 0.0029674 k( 241) = ( 0.2266667 0.3925982 0.4019832), wk = 0.0029674 k( 242) = ( 0.2200000 0.3810512 0.4019832), wk = 0.0029674 k( 243) = ( 0.2133333 0.3695042 0.4019832), wk = 0.0029674 k( 244) = ( 0.2066667 0.3579572 0.4019832), wk = 0.0029674 k( 245) = ( 0.2000000 0.3464102 0.4019832), wk = 0.0029674 k( 246) = ( 0.1933333 0.3348632 0.4019832), wk = 0.0029674 k( 247) = ( 0.1866667 0.3233162 0.4019832), wk = 0.0029674 k( 248) = ( 0.1800000 0.3117691 0.4019832), wk = 0.0029674 k( 249) = ( 0.1733333 0.3002221 0.4019832), wk = 0.0029674 k( 250) = ( 0.1666667 0.2886751 0.4019832), wk = 0.0029674 k( 251) = ( 0.1600000 0.2771281 0.4019832), wk = 0.0029674 k( 252) = ( 0.1533333 0.2655811 0.4019832), wk = 0.0029674 k( 253) = ( 0.1466667 0.2540341 0.4019832), wk = 0.0029674 k( 254) = ( 0.1400000 0.2424871 0.4019832), wk = 0.0029674 k( 255) = ( 0.1333333 0.2309401 0.4019832), wk = 0.0029674 k( 256) = ( 0.1266667 0.2193931 0.4019832), wk = 0.0029674 k( 257) = ( 0.1200000 0.2078461 0.4019832), wk = 0.0029674 k( 258) = ( 0.1133333 0.1962991 0.4019832), wk = 0.0029674 k( 259) = ( 0.1066667 0.1847521 0.4019832), wk = 0.0029674 k( 260) = ( 0.1000000 0.1732051 0.4019832), wk = 0.0029674 k( 261) = ( 0.0933333 0.1616581 0.4019832), wk = 0.0029674 k( 262) = ( 0.0866667 0.1501111 0.4019832), wk = 0.0029674 k( 263) = ( 0.0800000 0.1385641 0.4019832), wk = 0.0029674 k( 264) = ( 0.0733333 0.1270171 0.4019832), wk = 0.0029674 k( 265) = ( 0.0666667 0.1154701 0.4019832), wk = 0.0029674 k( 266) = ( 0.0600000 0.1039230 0.4019832), wk = 0.0029674 k( 267) = ( 0.0533333 0.0923760 0.4019832), wk = 0.0029674 k( 268) = ( 0.0466667 0.0808290 0.4019832), wk = 0.0029674 k( 269) = ( 0.0400000 0.0692820 0.4019832), wk = 0.0029674 k( 270) = ( 0.0333333 0.0577350 0.4019832), wk = 0.0029674 k( 271) = ( 0.0266667 0.0461880 0.4019832), wk = 0.0029674 k( 272) = ( 0.0200000 0.0346410 0.4019832), wk = 0.0029674 k( 273) = ( 0.0133333 0.0230940 0.4019832), wk = 0.0029674 k( 274) = ( 0.0066667 0.0115470 0.4019832), wk = 0.0029674 k( 275) = ( 0.0000000 0.0000000 0.4019832), wk = 0.0029674 k( 276) = ( 0.5000000 0.2886751 0.4019832), wk = 0.0029674 k( 277) = ( 0.5000000 0.2886751 0.3885838), wk = 0.0029674 k( 278) = ( 0.5000000 0.2886751 0.3751843), wk = 0.0029674 k( 279) = ( 0.5000000 0.2886751 0.3617849), wk = 0.0029674 k( 280) = ( 0.5000000 0.2886751 0.3483855), wk = 0.0029674 k( 281) = ( 0.5000000 0.2886751 0.3349860), wk = 0.0029674 k( 282) = ( 0.5000000 0.2886751 0.3215866), wk = 0.0029674 k( 283) = ( 0.5000000 0.2886751 0.3081871), wk = 0.0029674 k( 284) = ( 0.5000000 0.2886751 0.2947877), wk = 0.0029674 k( 285) = ( 0.5000000 0.2886751 0.2813883), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2679888), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2545894), wk = 0.0029674 k( 288) = ( 0.5000000 0.2886751 0.2411899), wk = 0.0029674 k( 289) = ( 0.5000000 0.2886751 0.2277905), wk = 0.0029674 k( 290) = ( 0.5000000 0.2886751 0.2143911), wk = 0.0029674 k( 291) = ( 0.5000000 0.2886751 0.2009916), wk = 0.0029674 k( 292) = ( 0.5000000 0.2886751 0.1875922), wk = 0.0029674 k( 293) = ( 0.5000000 0.2886751 0.1741927), wk = 0.0029674 k( 294) = ( 0.5000000 0.2886751 0.1607933), wk = 0.0029674 k( 295) = ( 0.5000000 0.2886751 0.1473938), wk = 0.0029674 k( 296) = ( 0.5000000 0.2886751 0.1339944), wk = 0.0029674 k( 297) = ( 0.5000000 0.2886751 0.1205950), wk = 0.0029674 k( 298) = ( 0.5000000 0.2886751 0.1071955), wk = 0.0029674 k( 299) = ( 0.5000000 0.2886751 0.0937961), wk = 0.0029674 k( 300) = ( 0.5000000 0.2886751 0.0803966), wk = 0.0029674 k( 301) = ( 0.5000000 0.2886751 0.0669972), wk = 0.0029674 k( 302) = ( 0.5000000 0.2886751 0.0535978), wk = 0.0029674 k( 303) = ( 0.5000000 0.2886751 0.0401983), wk = 0.0029674 k( 304) = ( 0.5000000 0.2886751 0.0267989), wk = 0.0029674 k( 305) = ( 0.5000000 0.2886751 0.0133994), wk = 0.0029674 k( 306) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 307) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 308) = ( 0.3333333 0.5773503 0.0133994), wk = 0.0029674 k( 309) = ( 0.3333333 0.5773503 0.0267989), wk = 0.0029674 k( 310) = ( 0.3333333 0.5773503 0.0401983), wk = 0.0029674 k( 311) = ( 0.3333333 0.5773503 0.0535978), wk = 0.0029674 k( 312) = ( 0.3333333 0.5773503 0.0669972), wk = 0.0029674 k( 313) = ( 0.3333333 0.5773503 0.0803966), wk = 0.0029674 k( 314) = ( 0.3333333 0.5773503 0.0937961), wk = 0.0029674 k( 315) = ( 0.3333333 0.5773503 0.1071955), wk = 0.0029674 k( 316) = ( 0.3333333 0.5773503 0.1205950), wk = 0.0029674 k( 317) = ( 0.3333333 0.5773503 0.1339944), wk = 0.0029674 k( 318) = ( 0.3333333 0.5773503 0.1473938), wk = 0.0029674 k( 319) = ( 0.3333333 0.5773503 0.1607933), wk = 0.0029674 k( 320) = ( 0.3333333 0.5773503 0.1741927), wk = 0.0029674 k( 321) = ( 0.3333333 0.5773503 0.1875922), wk = 0.0029674 k( 322) = ( 0.3333333 0.5773503 0.2009916), wk = 0.0029674 k( 323) = ( 0.3333333 0.5773503 0.2143911), wk = 0.0029674 k( 324) = ( 0.3333333 0.5773503 0.2277905), wk = 0.0029674 k( 325) = ( 0.3333333 0.5773503 0.2411899), wk = 0.0029674 k( 326) = ( 0.3333333 0.5773503 0.2545894), wk = 0.0029674 k( 327) = ( 0.3333333 0.5773503 0.2679888), wk = 0.0029674 k( 328) = ( 0.3333333 0.5773503 0.2813883), wk = 0.0029674 k( 329) = ( 0.3333333 0.5773503 0.2947877), wk = 0.0029674 k( 330) = ( 0.3333333 0.5773503 0.3081871), wk = 0.0029674 k( 331) = ( 0.3333333 0.5773503 0.3215866), wk = 0.0029674 k( 332) = ( 0.3333333 0.5773503 0.3349860), wk = 0.0029674 k( 333) = ( 0.3333333 0.5773503 0.3483855), wk = 0.0029674 k( 334) = ( 0.3333333 0.5773503 0.3617849), wk = 0.0029674 k( 335) = ( 0.3333333 0.5773503 0.3751843), wk = 0.0029674 k( 336) = ( 0.3333333 0.5773503 0.3885838), wk = 0.0029674 k( 337) = ( 0.3333333 0.5773503 0.4019832), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0113636 0.0000000 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0029674 k( 5) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0029674 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0029674 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0029674 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0029674 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0029674 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0029674 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0029674 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0029674 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0029674 k( 20) = ( 0.2159091 0.0000000 -0.0000000), wk = 0.0029674 k( 21) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0029674 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0029674 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029674 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0029674 k( 25) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0029674 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0029674 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0029674 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0029674 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0029674 k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0029674 k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0029674 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0029674 k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0029674 k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0029674 k( 39) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0029674 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0029674 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0029674 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0029674 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 47) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0029674 k( 48) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0029674 k( 49) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0029674 k( 50) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0029674 k( 51) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0029674 k( 53) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0029674 k( 54) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0029674 k( 55) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0029674 k( 56) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0029674 k( 57) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0029674 k( 58) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0029674 k( 59) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0029674 k( 60) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0029674 k( 61) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0029674 k( 62) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0029674 k( 63) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0029674 k( 64) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0029674 k( 65) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0029674 k( 66) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0029674 k( 68) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0029674 k( 69) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0029674 k( 70) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0029674 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029674 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029674 k( 73) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0029674 k( 74) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0029674 k( 75) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0029674 k( 76) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0029674 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0029674 k( 78) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0029674 k( 79) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0029674 k( 80) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0029674 k( 81) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0029674 k( 82) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0029674 k( 83) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0029674 k( 84) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0029674 k( 85) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0029674 k( 86) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0029674 k( 87) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0029674 k( 88) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0029674 k( 89) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0029674 k( 90) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0029674 k( 91) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0029674 k( 92) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029674 k( 93) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0029674 k( 94) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0029674 k( 95) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0029674 k( 96) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0029674 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029674 k( 98) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0029674 k( 99) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0029674 k( 100) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0029674 k( 101) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0029674 k( 102) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0029674 k( 103) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0029674 k( 104) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0029674 k( 105) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0029674 k( 106) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0029674 k( 107) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0029674 k( 108) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0029674 k( 109) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0029674 k( 110) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0029674 k( 111) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0029674 k( 112) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0029674 k( 113) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0029674 k( 114) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0029674 k( 115) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0029674 k( 116) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0029674 k( 117) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0029674 k( 118) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0029674 k( 120) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0029674 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 124) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0029674 k( 125) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0029674 k( 126) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0029674 k( 127) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0029674 k( 128) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029674 k( 129) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029674 k( 130) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0029674 k( 131) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0029674 k( 132) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0029674 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0029674 k( 156) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0029674 k( 157) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0029674 k( 158) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0029674 k( 159) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0029674 k( 160) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0029674 k( 161) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0029674 k( 162) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0029674 k( 163) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0029674 k( 164) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0029674 k( 165) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0029674 k( 166) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0029674 k( 167) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0029674 k( 168) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0029674 k( 169) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0029674 k( 170) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0029674 k( 171) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0029674 k( 172) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0029674 k( 173) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0029674 k( 174) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0029674 k( 175) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0029674 k( 176) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029674 k( 177) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0029674 k( 178) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0029674 k( 179) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0029674 k( 180) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0029674 k( 181) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0029674 k( 182) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0029674 k( 183) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0029674 k( 184) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0029674 k( 185) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0029674 k( 186) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0029674 k( 187) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0029674 k( 188) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0029674 k( 189) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0029674 k( 190) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0029674 k( 191) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0029674 k( 192) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0029674 k( 193) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0029674 k( 194) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0029674 k( 195) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0029674 k( 196) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0029674 k( 197) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0029674 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0029674 k( 201) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0029674 k( 202) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0029674 k( 203) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0029674 k( 204) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0029674 k( 205) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0029674 k( 206) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0029674 k( 207) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0029674 k( 208) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0029674 k( 209) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0029674 k( 210) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0029674 k( 211) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0029674 k( 212) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0029674 k( 213) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0029674 k( 214) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0029674 k( 215) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0029674 k( 216) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0029674 k( 217) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0029674 k( 218) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0029674 k( 219) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0029674 k( 220) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0029674 k( 221) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0029674 k( 222) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0029674 k( 223) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0029674 k( 224) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 225) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 226) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0029674 k( 227) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0029674 k( 228) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0029674 k( 229) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0029674 k( 230) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029674 k( 231) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0029674 k( 232) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0029674 k( 233) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0029674 k( 234) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0029674 k( 235) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0029674 k( 236) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0029674 k( 237) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0029674 k( 238) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0029674 k( 239) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0029674 k( 240) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0029674 k( 241) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0029674 k( 242) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0029674 k( 243) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0029674 k( 244) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0029674 k( 245) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029674 k( 246) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0029674 k( 247) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0029674 k( 248) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0029674 k( 249) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0029674 k( 250) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029674 k( 251) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0029674 k( 252) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0029674 k( 253) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0029674 k( 254) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0029674 k( 255) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0029674 k( 256) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0029674 k( 257) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0029674 k( 258) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0029674 k( 259) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0029674 k( 260) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029674 k( 261) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0029674 k( 262) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0029674 k( 263) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0029674 k( 264) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0029674 k( 265) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0029674 k( 266) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0029674 k( 267) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0029674 k( 268) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0029674 k( 269) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0029674 k( 270) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0029674 k( 271) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0029674 k( 272) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0029674 k( 273) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0029674 k( 274) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0029674 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 277) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0029674 k( 278) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0029674 k( 279) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0029674 k( 280) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0029674 k( 281) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0029674 k( 282) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029674 k( 283) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0029674 k( 284) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0029674 k( 285) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0029674 k( 286) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0029674 k( 287) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0029674 k( 288) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029674 k( 289) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0029674 k( 290) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0029674 k( 291) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029674 k( 292) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0029674 k( 293) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0029674 k( 294) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029674 k( 295) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0029674 k( 296) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0029674 k( 297) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0029674 k( 298) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0029674 k( 299) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0029674 k( 300) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029674 k( 301) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0029674 k( 302) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0029674 k( 303) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0029674 k( 304) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0029674 k( 305) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0029674 k( 306) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 307) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029674 k( 308) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0029674 k( 309) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0029674 k( 310) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0029674 k( 311) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0029674 k( 312) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0029674 k( 313) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029674 k( 314) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0029674 k( 315) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0029674 k( 316) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0029674 k( 317) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0029674 k( 318) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0029674 k( 319) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029674 k( 320) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0029674 k( 321) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0029674 k( 322) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029674 k( 323) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0029674 k( 324) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0029674 k( 325) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029674 k( 326) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0029674 k( 327) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029674 k( 328) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0029674 k( 329) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0029674 k( 330) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0029674 k( 331) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029674 k( 332) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0029674 k( 333) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0029674 k( 334) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0029674 k( 335) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0029674 k( 336) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0029674 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 Dense grid: 36235 G-vectors FFT dimensions: ( 45, 45, 50) Smooth grid: 24517 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 172, 52) NL pseudopotentials 0.18 Mb ( 86, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1008) G-vector shells 0.00 Mb ( 480) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 172, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./FeSn.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.7 secs Computing kpt #: 19 total cpu time spent up to now is 9.0 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.6 secs Computing kpt #: 22 total cpu time spent up to now is 9.9 secs Computing kpt #: 23 total cpu time spent up to now is 10.2 secs Computing kpt #: 24 total cpu time spent up to now is 10.5 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.1 secs Computing kpt #: 27 total cpu time spent up to now is 11.5 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.1 secs Computing kpt #: 30 total cpu time spent up to now is 12.4 secs Computing kpt #: 31 total cpu time spent up to now is 12.7 secs Computing kpt #: 32 total cpu time spent up to now is 13.0 secs Computing kpt #: 33 total cpu time spent up to now is 13.4 secs Computing kpt #: 34 total cpu time spent up to now is 13.7 secs Computing kpt #: 35 total cpu time spent up to now is 14.0 secs Computing kpt #: 36 total cpu time spent up to now is 14.3 secs Computing kpt #: 37 total cpu time spent up to now is 14.6 secs Computing kpt #: 38 total cpu time spent up to now is 14.9 secs Computing kpt #: 39 total cpu time spent up to now is 15.3 secs Computing kpt #: 40 total cpu time spent up to now is 15.6 secs Computing kpt #: 41 total cpu time spent up to now is 15.9 secs Computing kpt #: 42 total cpu time spent up to now is 16.2 secs Computing kpt #: 43 total cpu time spent up to now is 16.5 secs Computing kpt #: 44 total cpu time spent up to now is 16.8 secs Computing kpt #: 45 total cpu time spent up to now is 17.1 secs Computing kpt #: 46 total cpu time spent up to now is 17.4 secs Computing kpt #: 47 total cpu time spent up to now is 17.7 secs Computing kpt #: 48 total cpu time spent up to now is 18.0 secs Computing kpt #: 49 total cpu time spent up to now is 18.3 secs Computing kpt #: 50 total cpu time spent up to now is 18.6 secs Computing kpt #: 51 total cpu time spent up to now is 18.9 secs Computing kpt #: 52 total cpu time spent up to now is 19.2 secs Computing kpt #: 53 total cpu time spent up to now is 19.5 secs Computing kpt #: 54 total cpu time spent up to now is 19.8 secs Computing kpt #: 55 total cpu time spent up to now is 20.1 secs Computing kpt #: 56 total cpu time spent up to now is 20.5 secs Computing kpt #: 57 total cpu time spent up to now is 20.8 secs Computing kpt #: 58 total cpu time spent up to now is 21.1 secs Computing kpt #: 59 total cpu time spent up to now is 21.4 secs Computing kpt #: 60 total cpu time spent up to now is 21.7 secs Computing kpt #: 61 total cpu time spent up to now is 22.1 secs Computing kpt #: 62 total cpu time spent up to now is 22.5 secs Computing kpt #: 63 total cpu time spent up to now is 22.9 secs Computing kpt #: 64 total cpu time spent up to now is 23.3 secs Computing kpt #: 65 total cpu time spent up to now is 23.7 secs Computing kpt #: 66 total cpu time spent up to now is 24.0 secs Computing kpt #: 67 total cpu time spent up to now is 24.3 secs Computing kpt #: 68 total cpu time spent up to now is 24.6 secs Computing kpt #: 69 total cpu time spent up to now is 25.0 secs Computing kpt #: 70 total cpu time spent up to now is 25.3 secs Computing kpt #: 71 total cpu time spent up to now is 25.6 secs Computing kpt #: 72 total cpu time spent up to now is 25.9 secs Computing kpt #: 73 total cpu time spent up to now is 26.2 secs Computing kpt #: 74 total cpu time spent up to now is 26.5 secs Computing kpt #: 75 total cpu time spent up to now is 26.8 secs Computing kpt #: 76 total cpu time spent up to now is 27.1 secs Computing kpt #: 77 total cpu time spent up to now is 27.5 secs Computing kpt #: 78 total cpu time spent up to now is 27.8 secs Computing kpt #: 79 total cpu time spent up to now is 28.2 secs Computing kpt #: 80 total cpu time spent up to now is 28.5 secs Computing kpt #: 81 total cpu time spent up to now is 28.9 secs Computing kpt #: 82 total cpu time spent up to now is 29.2 secs Computing kpt #: 83 total cpu time spent up to now is 29.6 secs Computing kpt #: 84 total cpu time spent up to now is 30.0 secs Computing kpt #: 85 total cpu time spent up to now is 30.5 secs Computing kpt #: 86 total cpu time spent up to now is 30.9 secs Computing kpt #: 87 total cpu time spent up to now is 31.3 secs Computing kpt #: 88 total cpu time spent up to now is 31.8 secs Computing kpt #: 89 total cpu time spent up to now is 32.2 secs Computing kpt #: 90 total cpu time spent up to now is 32.6 secs Computing kpt #: 91 total cpu time spent up to now is 33.1 secs Computing kpt #: 92 total cpu time spent up to now is 33.5 secs Computing kpt #: 93 total cpu time spent up to now is 33.9 secs Computing kpt #: 94 total cpu time spent up to now is 34.3 secs Computing kpt #: 95 total cpu time spent up to now is 34.8 secs Computing kpt #: 96 total cpu time spent up to now is 35.2 secs Computing kpt #: 97 total cpu time spent up to now is 35.5 secs Computing kpt #: 98 total cpu time spent up to now is 35.9 secs Computing kpt #: 99 total cpu time spent up to now is 36.2 secs Computing kpt #: 100 total cpu time spent up to now is 36.6 secs Computing kpt #: 101 total cpu time spent up to now is 37.0 secs Computing kpt #: 102 total cpu time spent up to now is 37.4 secs Computing kpt #: 103 total cpu time spent up to now is 37.7 secs Computing kpt #: 104 total cpu time spent up to now is 38.1 secs Computing kpt #: 105 total cpu time spent up to now is 38.5 secs Computing kpt #: 106 total cpu time spent up to now is 38.8 secs Computing kpt #: 107 total cpu time spent up to now is 39.2 secs Computing kpt #: 108 total cpu time spent up to now is 39.5 secs Computing kpt #: 109 total cpu time spent up to now is 39.9 secs Computing kpt #: 110 total cpu time spent up to now is 40.2 secs Computing kpt #: 111 total cpu time spent up to now is 40.6 secs Computing kpt #: 112 total cpu time spent up to now is 40.9 secs Computing kpt #: 113 total cpu time spent up to now is 41.3 secs Computing kpt #: 114 total cpu time spent up to now is 41.7 secs Computing kpt #: 115 total cpu time spent up to now is 42.1 secs Computing kpt #: 116 total cpu time spent up to now is 42.5 secs Computing kpt #: 117 total cpu time spent up to now is 42.9 secs Computing kpt #: 118 total cpu time spent up to now is 43.3 secs Computing kpt #: 119 total cpu time spent up to now is 43.8 secs Computing kpt #: 120 total cpu time spent up to now is 44.3 secs Computing kpt #: 121 total cpu time spent up to now is 44.9 secs Computing kpt #: 122 total cpu time spent up to now is 45.3 secs Computing kpt #: 123 total cpu time spent up to now is 45.7 secs Computing kpt #: 124 total cpu time spent up to now is 46.0 secs Computing kpt #: 125 total cpu time spent up to now is 46.4 secs Computing kpt #: 126 total cpu time spent up to now is 46.9 secs Computing kpt #: 127 total cpu time spent up to now is 47.3 secs Computing kpt #: 128 total cpu time spent up to now is 47.7 secs Computing kpt #: 129 total cpu time spent up to now is 48.0 secs Computing kpt #: 130 total cpu time spent up to now is 48.4 secs Computing kpt #: 131 total cpu time spent up to now is 48.7 secs Computing kpt #: 132 total cpu time spent up to now is 49.1 secs Computing kpt #: 133 total cpu time spent up to now is 49.5 secs Computing kpt #: 134 total cpu time spent up to now is 49.8 secs Computing kpt #: 135 total cpu time spent up to now is 50.2 secs Computing kpt #: 136 total cpu time spent up to now is 50.6 secs Computing kpt #: 137 total cpu time spent up to now is 50.9 secs Computing kpt #: 138 total cpu time spent up to now is 51.3 secs Computing kpt #: 139 total cpu time spent up to now is 51.7 secs Computing kpt #: 140 total cpu time spent up to now is 52.0 secs Computing kpt #: 141 total cpu time spent up to now is 52.4 secs Computing kpt #: 142 total cpu time spent up to now is 52.8 secs Computing kpt #: 143 total cpu time spent up to now is 53.3 secs Computing kpt #: 144 total cpu time spent up to now is 53.7 secs Computing kpt #: 145 total cpu time spent up to now is 54.1 secs Computing kpt #: 146 total cpu time spent up to now is 54.4 secs Computing kpt #: 147 total cpu time spent up to now is 54.8 secs Computing kpt #: 148 total cpu time spent up to now is 55.3 secs Computing kpt #: 149 total cpu time spent up to now is 55.8 secs Computing kpt #: 150 total cpu time spent up to now is 56.3 secs Computing kpt #: 151 total cpu time spent up to now is 56.7 secs Computing kpt #: 152 total cpu time spent up to now is 57.1 secs Computing kpt #: 153 total cpu time spent up to now is 57.4 secs Computing kpt #: 154 total cpu time spent up to now is 57.8 secs Computing kpt #: 155 total cpu time spent up to now is 58.2 secs Computing kpt #: 156 total cpu time spent up to now is 58.5 secs Computing kpt #: 157 total cpu time spent up to now is 58.9 secs Computing kpt #: 158 total cpu time spent up to now is 59.3 secs Computing kpt #: 159 total cpu time spent up to now is 59.7 secs Computing kpt #: 160 total cpu time spent up to now is 60.1 secs Computing kpt #: 161 total cpu time spent up to now is 60.5 secs Computing kpt #: 162 total cpu time spent up to now is 60.9 secs Computing kpt #: 163 total cpu time spent up to now is 61.3 secs Computing kpt #: 164 total cpu time spent up to now is 61.6 secs Computing kpt #: 165 total cpu time spent up to now is 62.0 secs Computing kpt #: 166 total cpu time spent up to now is 62.4 secs Computing kpt #: 167 total cpu time spent up to now is 62.8 secs Computing kpt #: 168 total cpu time spent up to now is 63.2 secs Computing kpt #: 169 total cpu time spent up to now is 63.6 secs Computing kpt #: 170 total cpu time spent up to now is 63.9 secs Computing kpt #: 171 total cpu time spent up to now is 64.3 secs Computing kpt #: 172 total cpu time spent up to now is 64.7 secs Computing kpt #: 173 total cpu time spent up to now is 65.1 secs Computing kpt #: 174 total cpu time spent up to now is 65.5 secs Computing kpt #: 175 total cpu time spent up to now is 65.8 secs Computing kpt #: 176 total cpu time spent up to now is 66.2 secs Computing kpt #: 177 total cpu time spent up to now is 66.5 secs Computing kpt #: 178 total cpu time spent up to now is 66.9 secs Computing kpt #: 179 total cpu time spent up to now is 67.2 secs Computing kpt #: 180 total cpu time spent up to now is 67.6 secs Computing kpt #: 181 total cpu time spent up to now is 67.9 secs Computing kpt #: 182 total cpu time spent up to now is 68.3 secs Computing kpt #: 183 total cpu time spent up to now is 68.6 secs Computing kpt #: 184 total cpu time spent up to now is 69.0 secs Computing kpt #: 185 total cpu time spent up to now is 69.3 secs Computing kpt #: 186 total cpu time spent up to now is 69.7 secs Computing kpt #: 187 total cpu time spent up to now is 70.0 secs Computing kpt #: 188 total cpu time spent up to now is 70.3 secs Computing kpt #: 189 total cpu time spent up to now is 70.7 secs Computing kpt #: 190 total cpu time spent up to now is 71.0 secs Computing kpt #: 191 total cpu time spent up to now is 71.4 secs Computing kpt #: 192 total cpu time spent up to now is 71.7 secs Computing kpt #: 193 total cpu time spent up to now is 72.0 secs Computing kpt #: 194 total cpu time spent up to now is 72.4 secs Computing kpt #: 195 total cpu time spent up to now is 72.7 secs Computing kpt #: 196 total cpu time spent up to now is 73.0 secs Computing kpt #: 197 total cpu time spent up to now is 73.3 secs Computing kpt #: 198 total cpu time spent up to now is 73.6 secs Computing kpt #: 199 total cpu time spent up to now is 74.0 secs Computing kpt #: 200 total cpu time spent up to now is 74.3 secs Computing kpt #: 201 total cpu time spent up to now is 74.6 secs Computing kpt #: 202 total cpu time spent up to now is 74.9 secs Computing kpt #: 203 total cpu time spent up to now is 75.2 secs Computing kpt #: 204 total cpu time spent up to now is 75.6 secs Computing kpt #: 205 total cpu time spent up to now is 75.9 secs Computing kpt #: 206 total cpu time spent up to now is 76.1 secs Computing kpt #: 207 total cpu time spent up to now is 76.4 secs Computing kpt #: 208 total cpu time spent up to now is 76.7 secs Computing kpt #: 209 total cpu time spent up to now is 77.0 secs Computing kpt #: 210 total cpu time spent up to now is 77.3 secs Computing kpt #: 211 total cpu time spent up to now is 77.6 secs Computing kpt #: 212 total cpu time spent up to now is 77.8 secs Computing kpt #: 213 total cpu time spent up to now is 78.1 secs Computing kpt #: 214 total cpu time spent up to now is 78.4 secs Computing kpt #: 215 total cpu time spent up to now is 78.6 secs Computing kpt #: 216 total cpu time spent up to now is 78.9 secs Computing kpt #: 217 total cpu time spent up to now is 79.2 secs Computing kpt #: 218 total cpu time spent up to now is 79.4 secs Computing kpt #: 219 total cpu time spent up to now is 79.7 secs Computing kpt #: 220 total cpu time spent up to now is 80.0 secs Computing kpt #: 221 total cpu time spent up to now is 80.2 secs Computing kpt #: 222 total cpu time spent up to now is 80.5 secs Computing kpt #: 223 total cpu time spent up to now is 80.8 secs Computing kpt #: 224 total cpu time spent up to now is 81.0 secs Computing kpt #: 225 total cpu time spent up to now is 81.3 secs Computing kpt #: 226 total cpu time spent up to now is 81.5 secs Computing kpt #: 227 total cpu time spent up to now is 81.8 secs Computing kpt #: 228 total cpu time spent up to now is 82.1 secs Computing kpt #: 229 total cpu time spent up to now is 82.3 secs Computing kpt #: 230 total cpu time spent up to now is 82.6 secs Computing kpt #: 231 total cpu time spent up to now is 82.9 secs Computing kpt #: 232 total cpu time spent up to now is 83.1 secs Computing kpt #: 233 total cpu time spent up to now is 83.4 secs Computing kpt #: 234 total cpu time spent up to now is 83.7 secs Computing kpt #: 235 total cpu time spent up to now is 84.0 secs Computing kpt #: 236 total cpu time spent up to now is 84.2 secs Computing kpt #: 237 total cpu time spent up to now is 84.5 secs Computing kpt #: 238 total cpu time spent up to now is 84.8 secs Computing kpt #: 239 total cpu time spent up to now is 85.0 secs Computing kpt #: 240 total cpu time spent up to now is 85.3 secs Computing kpt #: 241 total cpu time spent up to now is 85.6 secs Computing kpt #: 242 total cpu time spent up to now is 85.9 secs Computing kpt #: 243 total cpu time spent up to now is 86.1 secs Computing kpt #: 244 total cpu time spent up to now is 86.4 secs Computing kpt #: 245 total cpu time spent up to now is 86.7 secs Computing kpt #: 246 total cpu time spent up to now is 87.0 secs Computing kpt #: 247 total cpu time spent up to now is 87.3 secs Computing kpt #: 248 total cpu time spent up to now is 87.6 secs Computing kpt #: 249 total cpu time spent up to now is 87.9 secs Computing kpt #: 250 total cpu time spent up to now is 88.2 secs Computing kpt #: 251 total cpu time spent up to now is 88.5 secs Computing kpt #: 252 total cpu time spent up to now is 88.8 secs Computing kpt #: 253 total cpu time spent up to now is 89.1 secs Computing kpt #: 254 total cpu time spent up to now is 89.4 secs Computing kpt #: 255 total cpu time spent up to now is 89.7 secs Computing kpt #: 256 total cpu time spent up to now is 90.0 secs Computing kpt #: 257 total cpu time spent up to now is 90.3 secs Computing kpt #: 258 total cpu time spent up to now is 90.7 secs Computing kpt #: 259 total cpu time spent up to now is 91.0 secs Computing kpt #: 260 total cpu time spent up to now is 91.3 secs Computing kpt #: 261 total cpu time spent up to now is 91.7 secs Computing kpt #: 262 total cpu time spent up to now is 92.0 secs Computing kpt #: 263 total cpu time spent up to now is 92.4 secs Computing kpt #: 264 total cpu time spent up to now is 92.8 secs Computing kpt #: 265 total cpu time spent up to now is 93.2 secs Computing kpt #: 266 total cpu time spent up to now is 93.5 secs Computing kpt #: 267 total cpu time spent up to now is 93.9 secs Computing kpt #: 268 total cpu time spent up to now is 94.3 secs Computing kpt #: 269 total cpu time spent up to now is 94.7 secs Computing kpt #: 270 total cpu time spent up to now is 95.1 secs Computing kpt #: 271 total cpu time spent up to now is 95.5 secs Computing kpt #: 272 total cpu time spent up to now is 95.9 secs Computing kpt #: 273 total cpu time spent up to now is 96.3 secs Computing kpt #: 274 total cpu time spent up to now is 96.7 secs Computing kpt #: 275 total cpu time spent up to now is 97.0 secs Computing kpt #: 276 total cpu time spent up to now is 97.3 secs Computing kpt #: 277 total cpu time spent up to now is 97.7 secs Computing kpt #: 278 total cpu time spent up to now is 98.0 secs Computing kpt #: 279 total cpu time spent up to now is 98.3 secs Computing kpt #: 280 total cpu time spent up to now is 98.7 secs Computing kpt #: 281 total cpu time spent up to now is 99.0 secs Computing kpt #: 282 total cpu time spent up to now is 99.4 secs Computing kpt #: 283 total cpu time spent up to now is 99.8 secs Computing kpt #: 284 total cpu time spent up to now is 100.2 secs Computing kpt #: 285 total cpu time spent up to now is 100.6 secs Computing kpt #: 286 total cpu time spent up to now is 101.0 secs Computing kpt #: 287 total cpu time spent up to now is 101.3 secs Computing kpt #: 288 total cpu time spent up to now is 101.6 secs Computing kpt #: 289 total cpu time spent up to now is 101.9 secs Computing kpt #: 290 total cpu time spent up to now is 102.2 secs Computing kpt #: 291 total cpu time spent up to now is 102.5 secs Computing kpt #: 292 total cpu time spent up to now is 102.8 secs Computing kpt #: 293 total cpu time spent up to now is 103.1 secs Computing kpt #: 294 total cpu time spent up to now is 103.4 secs Computing kpt #: 295 total cpu time spent up to now is 103.7 secs Computing kpt #: 296 total cpu time spent up to now is 104.0 secs Computing kpt #: 297 total cpu time spent up to now is 104.3 secs Computing kpt #: 298 total cpu time spent up to now is 104.6 secs Computing kpt #: 299 total cpu time spent up to now is 104.9 secs Computing kpt #: 300 total cpu time spent up to now is 105.2 secs Computing kpt #: 301 total cpu time spent up to now is 105.5 secs Computing kpt #: 302 total cpu time spent up to now is 105.8 secs Computing kpt #: 303 total cpu time spent up to now is 106.1 secs Computing kpt #: 304 total cpu time spent up to now is 106.4 secs Computing kpt #: 305 total cpu time spent up to now is 106.7 secs Computing kpt #: 306 total cpu time spent up to now is 107.0 secs Computing kpt #: 307 total cpu time spent up to now is 107.3 secs Computing kpt #: 308 total cpu time spent up to now is 107.6 secs Computing kpt #: 309 total cpu time spent up to now is 108.0 secs Computing kpt #: 310 total cpu time spent up to now is 108.3 secs Computing kpt #: 311 total cpu time spent up to now is 108.6 secs Computing kpt #: 312 total cpu time spent up to now is 108.9 secs Computing kpt #: 313 total cpu time spent up to now is 109.2 secs Computing kpt #: 314 total cpu time spent up to now is 109.5 secs Computing kpt #: 315 total cpu time spent up to now is 109.8 secs Computing kpt #: 316 total cpu time spent up to now is 110.1 secs Computing kpt #: 317 total cpu time spent up to now is 110.4 secs Computing kpt #: 318 total cpu time spent up to now is 110.7 secs Computing kpt #: 319 total cpu time spent up to now is 111.0 secs Computing kpt #: 320 total cpu time spent up to now is 111.3 secs Computing kpt #: 321 total cpu time spent up to now is 111.6 secs Computing kpt #: 322 total cpu time spent up to now is 111.9 secs Computing kpt #: 323 total cpu time spent up to now is 112.2 secs Computing kpt #: 324 total cpu time spent up to now is 112.4 secs Computing kpt #: 325 total cpu time spent up to now is 112.7 secs Computing kpt #: 326 total cpu time spent up to now is 113.0 secs Computing kpt #: 327 total cpu time spent up to now is 113.3 secs Computing kpt #: 328 total cpu time spent up to now is 113.5 secs Computing kpt #: 329 total cpu time spent up to now is 113.8 secs Computing kpt #: 330 total cpu time spent up to now is 114.1 secs Computing kpt #: 331 total cpu time spent up to now is 114.3 secs Computing kpt #: 332 total cpu time spent up to now is 114.6 secs Computing kpt #: 333 total cpu time spent up to now is 114.9 secs Computing kpt #: 334 total cpu time spent up to now is 115.1 secs Computing kpt #: 335 total cpu time spent up to now is 115.4 secs Computing kpt #: 336 total cpu time spent up to now is 115.7 secs Computing kpt #: 337 total cpu time spent up to now is 115.9 secs ethr = 2.27E-08, avg # of iterations = 14.7 total cpu time spent up to now is 115.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3051 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1033 -10.1033 -10.0879 -10.0879 -10.0746 -10.0746 -10.0351 -10.0351 -10.0290 -10.0290 -10.0273 -10.0273 0.5528 0.5528 5.1569 5.1569 6.5351 6.5351 8.0861 8.0861 8.1842 8.1842 8.3773 8.3773 9.1397 9.1397 9.1437 9.1437 9.8427 9.8427 9.9425 9.9425 10.4800 10.4800 10.5404 10.5404 11.9149 11.9149 12.2940 12.2940 12.6557 12.6557 14.2778 14.2778 k = 0.0114 0.0066-0.0000 ( 3051 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1033 -10.1033 -10.0879 -10.0879 -10.0746 -10.0746 -10.0351 -10.0351 -10.0290 -10.0290 -10.0273 -10.0273 0.5543 0.5543 5.1563 5.1563 6.5367 6.5367 8.0866 8.0866 8.1847 8.1847 8.3770 8.3770 9.1389 9.1389 9.1430 9.1430 9.8424 9.8424 9.9422 9.9422 10.4800 10.4800 10.5403 10.5403 11.9143 11.9143 12.2849 12.2849 12.6434 12.6434 14.2541 14.2541 k = 0.0227 0.0131-0.0000 ( 3055 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1032 -10.1032 -10.0879 -10.0879 -10.0746 -10.0746 -10.0352 -10.0352 -10.0289 -10.0289 -10.0272 -10.0272 0.5587 0.5587 5.1545 5.1545 6.5417 6.5417 8.0880 8.0880 8.1862 8.1862 8.3759 8.3759 9.1361 9.1361 9.1412 9.1412 9.8416 9.8416 9.9414 9.9414 10.4798 10.4798 10.5401 10.5401 11.9125 11.9125 12.2573 12.2573 12.6078 12.6078 14.1893 14.1893 k = 0.0341 0.0197-0.0000 ( 3051 PWs) bands (ev): -11.1334 -11.1334 -11.1000 -11.1000 -11.0807 -11.0807 -11.0649 -11.0649 -10.1032 -10.1032 -10.0879 -10.0879 -10.0745 -10.0745 -10.0353 -10.0353 -10.0289 -10.0289 -10.0271 -10.0271 0.5659 0.5659 5.1514 5.1514 6.5499 6.5499 8.0904 8.0904 8.1888 8.1888 8.3742 8.3742 9.1308 9.1308 9.1388 9.1388 9.8401 9.8401 9.9403 9.9403 10.4796 10.4796 10.5399 10.5399 11.9096 11.9096 12.2110 12.2110 12.5531 12.5531 14.1095 14.1095 k = 0.0455 0.0262-0.0000 ( 3047 PWs) bands (ev): -11.1333 -11.1333 -11.1001 -11.1001 -11.0806 -11.0806 -11.0649 -11.0649 -10.1031 -10.1031 -10.0879 -10.0879 -10.0745 -10.0745 -10.0355 -10.0355 -10.0288 -10.0288 -10.0270 -10.0270 0.5761 0.5761 5.1471 5.1471 6.5614 6.5614 8.0936 8.0936 8.1923 8.1923 8.3717 8.3717 9.1231 9.1231 9.1359 9.1359 9.8378 9.8378 9.9389 9.9389 10.4794 10.4794 10.5397 10.5397 11.9054 11.9054 12.1455 12.1455 12.4848 12.4848 14.0302 14.0302 k = 0.0568 0.0328-0.0000 ( 3055 PWs) bands (ev): -11.1332 -11.1332 -11.1002 -11.1002 -11.0805 -11.0805 -11.0649 -11.0649 -10.1030 -10.1030 -10.0879 -10.0879 -10.0744 -10.0744 -10.0357 -10.0357 -10.0287 -10.0287 -10.0268 -10.0268 0.5893 0.5893 5.1416 5.1416 6.5762 6.5762 8.0977 8.0977 8.1967 8.1967 8.3685 8.3685 9.1130 9.1130 9.1323 9.1323 9.8345 9.8345 9.9374 9.9374 10.4791 10.4791 10.5393 10.5393 11.8997 11.8997 12.0612 12.0612 12.4086 12.4086 13.9550 13.9550 k = 0.0682 0.0394-0.0000 ( 3047 PWs) bands (ev): -11.1330 -11.1330 -11.1003 -11.1003 -11.0803 -11.0803 -11.0649 -11.0649 -10.1029 -10.1029 -10.0879 -10.0879 -10.0744 -10.0744 -10.0359 -10.0359 -10.0285 -10.0285 -10.0265 -10.0265 0.6053 0.6053 5.1348 5.1348 6.5943 6.5943 8.1025 8.1025 8.2021 8.2021 8.3646 8.3646 9.1007 9.1007 9.1281 9.1281 9.8299 9.8299 9.9363 9.9363 10.4788 10.4788 10.5389 10.5389 11.8924 11.8924 11.9600 11.9600 12.3289 12.3289 13.8840 13.8840 k = 0.0795 0.0459-0.0000 ( 3051 PWs) bands (ev): -11.1329 -11.1329 -11.1004 -11.1004 -11.0801 -11.0801 -11.0650 -11.0650 -10.1028 -10.1028 -10.0878 -10.0878 -10.0743 -10.0743 -10.0362 -10.0362 -10.0283 -10.0283 -10.0263 -10.0263 0.6242 0.6242 5.1267 5.1267 6.6156 6.6156 8.1079 8.1079 8.2081 8.2081 8.3599 8.3599 9.0863 9.0863 9.1234 9.1234 9.8239 9.8239 9.9356 9.9356 10.4784 10.4784 10.5384 10.5384 11.8411 11.8411 11.8870 11.8870 12.2479 12.2479 13.8162 13.8162 k = 0.0909 0.0525-0.0000 ( 3045 PWs) bands (ev): -11.1327 -11.1327 -11.1006 -11.1006 -11.0799 -11.0799 -11.0650 -11.0650 -10.1026 -10.1026 -10.0878 -10.0878 -10.0742 -10.0742 -10.0365 -10.0365 -10.0281 -10.0281 -10.0259 -10.0259 0.6460 0.6460 5.1172 5.1172 6.6401 6.6401 8.1138 8.1138 8.2146 8.2146 8.3546 8.3546 9.0699 9.0699 9.1181 9.1181 9.8163 9.8163 9.9355 9.9355 10.4779 10.4779 10.5379 10.5379 11.7156 11.7156 11.8762 11.8762 12.1665 12.1665 13.7508 13.7508 k = 0.1023 0.0590-0.0000 ( 3039 PWs) bands (ev): -11.1325 -11.1325 -11.1008 -11.1008 -11.0796 -11.0796 -11.0650 -11.0650 -10.1025 -10.1025 -10.0877 -10.0877 -10.0741 -10.0741 -10.0369 -10.0369 -10.0278 -10.0278 -10.0256 -10.0256 0.6707 0.6707 5.1064 5.1064 6.6678 6.6678 8.1199 8.1199 8.2212 8.2212 8.3490 8.3490 9.0517 9.0517 9.1124 9.1124 9.8070 9.8070 9.9362 9.9362 10.4774 10.4774 10.5374 10.5374 11.5825 11.5825 11.8646 11.8646 12.0851 12.0851 13.6870 13.6870 k = 0.1136 0.0656-0.0000 ( 3035 PWs) bands (ev): -11.1323 -11.1323 -11.1010 -11.1010 -11.0793 -11.0793 -11.0650 -11.0650 -10.1023 -10.1023 -10.0877 -10.0877 -10.0740 -10.0740 -10.0373 -10.0373 -10.0276 -10.0276 -10.0252 -10.0252 0.6982 0.6982 5.0942 5.0942 6.6987 6.6987 8.1261 8.1261 8.2269 8.2269 8.3434 8.3434 9.0319 9.0319 9.1062 9.1062 9.7962 9.7962 9.9377 9.9377 10.4767 10.4767 10.5367 10.5367 11.4460 11.4460 11.8507 11.8507 12.0042 12.0042 13.6241 13.6241 k = 0.1250 0.0722-0.0000 ( 3039 PWs) bands (ev): -11.1320 -11.1320 -11.1012 -11.1012 -11.0791 -11.0791 -11.0650 -11.0650 -10.1021 -10.1021 -10.0876 -10.0876 -10.0739 -10.0739 -10.0378 -10.0378 -10.0273 -10.0273 -10.0248 -10.0248 0.7287 0.7287 5.0805 5.0805 6.7328 6.7328 8.1320 8.1320 8.2306 8.2306 8.3390 8.3390 9.0107 9.0107 9.0997 9.0997 9.7837 9.7837 9.9401 9.9401 10.4759 10.4759 10.5360 10.5360 11.3088 11.3088 11.8318 11.8318 11.9262 11.9262 13.5616 13.5616 k = 0.1364 0.0787-0.0000 ( 3039 PWs) bands (ev): -11.1317 -11.1317 -11.1015 -11.1015 -11.0787 -11.0787 -11.0651 -11.0651 -10.1019 -10.1019 -10.0876 -10.0876 -10.0737 -10.0737 -10.0383 -10.0383 -10.0269 -10.0269 -10.0243 -10.0243 0.7619 0.7619 5.0653 5.0653 6.7700 6.7700 8.1367 8.1367 8.2309 8.2309 8.3374 8.3374 8.9887 8.9887 9.0930 9.0930 9.7698 9.7698 9.9432 9.9432 10.4751 10.4751 10.5353 10.5353 11.1732 11.1732 11.7965 11.7965 11.8627 11.8627 13.4991 13.4991 k = 0.1477 0.0853-0.0000 ( 3041 PWs) bands (ev): -11.1314 -11.1314 -11.1017 -11.1017 -11.0784 -11.0784 -11.0651 -11.0651 -10.1017 -10.1017 -10.0875 -10.0875 -10.0736 -10.0736 -10.0388 -10.0388 -10.0265 -10.0265 -10.0239 -10.0239 0.7980 0.7980 5.0485 5.0485 6.8102 6.8102 8.1390 8.1390 8.2271 8.2271 8.3396 8.3396 8.9663 8.9663 9.0862 9.0862 9.7546 9.7546 9.9471 9.9471 10.4739 10.4739 10.5344 10.5344 11.0411 11.0411 11.7307 11.7307 11.8279 11.8279 13.4364 13.4364 k = 0.1591 0.0919-0.0000 ( 3031 PWs) bands (ev): -11.1311 -11.1311 -11.1020 -11.1020 -11.0780 -11.0780 -11.0651 -11.0651 -10.1015 -10.1015 -10.0874 -10.0874 -10.0734 -10.0734 -10.0394 -10.0394 -10.0261 -10.0261 -10.0234 -10.0234 0.8370 0.8370 5.0300 5.0300 6.8535 6.8535 8.1361 8.1361 8.2207 8.2207 8.3460 8.3460 8.9442 8.9442 9.0794 9.0794 9.7382 9.7382 9.9517 9.9517 10.4727 10.4727 10.5335 10.5335 10.9140 10.9140 11.6513 11.6513 11.8049 11.8049 13.3733 13.3733 k = 0.1705 0.0984-0.0000 ( 3031 PWs) bands (ev): -11.1308 -11.1308 -11.1023 -11.1023 -11.0776 -11.0776 -11.0652 -11.0652 -10.1013 -10.1013 -10.0874 -10.0874 -10.0732 -10.0732 -10.0400 -10.0400 -10.0257 -10.0257 -10.0229 -10.0229 0.8787 0.8787 5.0098 5.0098 6.8998 6.8998 8.1238 8.1238 8.2157 8.2157 8.3557 8.3557 8.9232 8.9232 9.0727 9.0727 9.7208 9.7208 9.9567 9.9567 10.4709 10.4709 10.5323 10.5323 10.7935 10.7935 11.5688 11.5688 11.7833 11.7833 13.3095 13.3095 k = 0.1818 0.1050-0.0000 ( 3031 PWs) bands (ev): -11.1305 -11.1305 -11.1026 -11.1026 -11.0772 -11.0772 -11.0652 -11.0652 -10.1011 -10.1011 -10.0873 -10.0873 -10.0730 -10.0730 -10.0406 -10.0406 -10.0253 -10.0253 -10.0224 -10.0224 0.9232 0.9232 4.9877 4.9877 6.9490 6.9490 8.0993 8.0993 8.2152 8.2152 8.3676 8.3676 8.9043 8.9043 9.0663 9.0663 9.7026 9.7026 9.9622 9.9622 10.4679 10.4679 10.5303 10.5303 10.6815 10.6815 11.4854 11.4854 11.7608 11.7608 13.2449 13.2449 k = 0.1932 0.1115-0.0000 ( 3037 PWs) bands (ev): -11.1301 -11.1301 -11.1030 -11.1030 -11.0768 -11.0768 -11.0652 -11.0652 -10.1009 -10.1009 -10.0873 -10.0873 -10.0727 -10.0727 -10.0413 -10.0413 -10.0248 -10.0248 -10.0218 -10.0218 0.9704 0.9704 4.9636 4.9636 7.0011 7.0011 8.0632 8.0632 8.2188 8.2188 8.3807 8.3807 8.8882 8.8882 9.0603 9.0603 9.6837 9.6837 9.9680 9.9680 10.4608 10.4608 10.5245 10.5245 10.5848 10.5848 11.4020 11.4020 11.7368 11.7368 13.1795 13.1795 k = 0.2045 0.1181-0.0000 ( 3041 PWs) bands (ev): -11.1297 -11.1297 -11.1033 -11.1033 -11.0764 -11.0764 -11.0653 -11.0653 -10.1006 -10.1006 -10.0872 -10.0872 -10.0725 -10.0725 -10.0419 -10.0419 -10.0244 -10.0244 -10.0213 -10.0213 1.0204 1.0204 4.9375 4.9375 7.0559 7.0559 8.0171 8.0171 8.2248 8.2248 8.3942 8.3942 8.8759 8.8759 9.0548 9.0548 9.6643 9.6643 9.9743 9.9743 10.4302 10.4302 10.4969 10.4969 10.5410 10.5410 11.3190 11.3190 11.7108 11.7108 13.1131 13.1131 k = 0.2159 0.1247-0.0000 ( 3037 PWs) bands (ev): -11.1294 -11.1294 -11.1037 -11.1037 -11.0760 -11.0760 -11.0653 -11.0653 -10.1004 -10.1004 -10.0872 -10.0872 -10.0722 -10.0722 -10.0426 -10.0426 -10.0239 -10.0239 -10.0207 -10.0207 1.0731 1.0731 4.9091 4.9091 7.1134 7.1134 7.9624 7.9624 8.2321 8.2321 8.4073 8.4073 8.8680 8.8680 9.0501 9.0501 9.6445 9.6445 9.9809 9.9809 10.3577 10.3577 10.4812 10.4812 10.5353 10.5353 11.2366 11.2366 11.6825 11.6825 13.0457 13.0457 k = 0.2273 0.1312-0.0000 ( 3039 PWs) bands (ev): -11.1290 -11.1290 -11.1040 -11.1040 -11.0755 -11.0755 -11.0654 -11.0654 -10.1002 -10.1002 -10.0871 -10.0871 -10.0718 -10.0718 -10.0433 -10.0433 -10.0234 -10.0234 -10.0202 -10.0202 1.1285 1.1285 4.8784 4.8784 7.1734 7.1734 7.9004 7.9004 8.2402 8.2402 8.4197 8.4197 8.8650 8.8650 9.0463 9.0463 9.6245 9.6245 9.9877 9.9877 10.2782 10.2782 10.4764 10.4764 10.5334 10.5334 11.1550 11.1550 11.6517 11.6517 12.9772 12.9772 k = 0.2386 0.1378-0.0000 ( 3045 PWs) bands (ev): -11.1286 -11.1286 -11.1044 -11.1044 -11.0751 -11.0751 -11.0654 -11.0654 -10.1000 -10.1000 -10.0871 -10.0871 -10.0715 -10.0715 -10.0440 -10.0440 -10.0228 -10.0228 -10.0196 -10.0196 1.1864 1.1864 4.8451 4.8451 7.2356 7.2356 7.8323 7.8323 8.2487 8.2487 8.4308 8.4308 8.8670 8.8670 9.0436 9.0436 9.6043 9.6043 9.9946 9.9946 10.2033 10.2033 10.4738 10.4738 10.5322 10.5322 11.0744 11.0744 11.6181 11.6181 12.9078 12.9078 k = 0.2500 0.1443-0.0000 ( 3047 PWs) bands (ev): -11.1281 -11.1281 -11.1048 -11.1048 -11.0746 -11.0746 -11.0655 -11.0655 -10.0997 -10.0997 -10.0871 -10.0871 -10.0711 -10.0711 -10.0448 -10.0448 -10.0223 -10.0223 -10.0191 -10.0191 1.2470 1.2470 4.8091 4.8091 7.2997 7.2997 7.7596 7.7596 8.2572 8.2572 8.4405 8.4405 8.8742 8.8742 9.0423 9.0423 9.5842 9.5842 10.0017 10.0017 10.1348 10.1348 10.4720 10.4720 10.5312 10.5312 10.9949 10.9949 11.5815 11.5815 12.8373 12.8373 k = 0.2614 0.1509-0.0000 ( 3051 PWs) bands (ev): -11.1277 -11.1277 -11.1052 -11.1052 -11.0742 -11.0742 -11.0655 -11.0655 -10.0995 -10.0995 -10.0871 -10.0871 -10.0707 -10.0707 -10.0455 -10.0455 -10.0218 -10.0218 -10.0186 -10.0186 1.3102 1.3102 4.7703 4.7703 7.3645 7.3645 7.6845 7.6845 8.2656 8.2656 8.4486 8.4486 8.8861 8.8861 9.0425 9.0425 9.5643 9.5643 10.0088 10.0088 10.0726 10.0726 10.4705 10.4705 10.5303 10.5303 10.9167 10.9167 11.5416 11.5416 12.7660 12.7660 k = 0.2727 0.1575-0.0000 ( 3059 PWs) bands (ev): -11.1273 -11.1273 -11.1056 -11.1056 -11.0737 -11.0737 -11.0655 -11.0655 -10.0993 -10.0993 -10.0872 -10.0872 -10.0702 -10.0702 -10.0462 -10.0462 -10.0212 -10.0212 -10.0180 -10.0180 1.3758 1.3758 4.7284 4.7284 7.4256 7.4256 7.6125 7.6125 8.2738 8.2738 8.4552 8.4552 8.9023 8.9023 9.0447 9.0447 9.5448 9.5448 10.0144 10.0144 10.0181 10.0181 10.4692 10.4692 10.5294 10.5294 10.8400 10.8400 11.4982 11.4982 12.6939 12.6939 k = 0.2841 0.1640-0.0000 ( 3059 PWs) bands (ev): -11.1269 -11.1269 -11.1061 -11.1061 -11.0733 -11.0733 -11.0656 -11.0656 -10.0991 -10.0991 -10.0872 -10.0872 -10.0698 -10.0698 -10.0469 -10.0469 -10.0207 -10.0207 -10.0175 -10.0175 1.4439 1.4439 4.6833 4.6833 7.4552 7.4552 7.5726 7.5726 8.2818 8.2818 8.4603 8.4603 8.9220 8.9220 9.0492 9.0492 9.5258 9.5258 9.9660 9.9660 10.0232 10.0232 10.4680 10.4680 10.5283 10.5283 10.7649 10.7649 11.4510 11.4510 12.6212 12.6212 k = 0.2955 0.1706-0.0000 ( 3059 PWs) bands (ev): -11.1264 -11.1264 -11.1065 -11.1065 -11.0728 -11.0728 -11.0656 -11.0656 -10.0988 -10.0988 -10.0873 -10.0873 -10.0693 -10.0693 -10.0477 -10.0477 -10.0202 -10.0202 -10.0170 -10.0170 1.5144 1.5144 4.6349 4.6349 7.4069 7.4069 7.6121 7.6121 8.2893 8.2893 8.4643 8.4643 8.9442 8.9442 9.0566 9.0566 9.5076 9.5076 9.9207 9.9207 10.0303 10.0303 10.4668 10.4668 10.5266 10.5266 10.6919 10.6919 11.4001 11.4001 12.5481 12.5481 k = 0.3068 0.1771-0.0000 ( 3063 PWs) bands (ev): -11.1260 -11.1260 -11.1069 -11.1069 -11.0724 -11.0724 -11.0657 -11.0657 -10.0986 -10.0986 -10.0874 -10.0874 -10.0688 -10.0688 -10.0484 -10.0484 -10.0196 -10.0196 -10.0166 -10.0166 1.5871 1.5871 4.5830 4.5830 7.3320 7.3320 7.6806 7.6806 8.2962 8.2962 8.4673 8.4673 8.9674 8.9674 9.0677 9.0677 9.4902 9.4902 9.8801 9.8801 10.0372 10.0372 10.4657 10.4657 10.5229 10.5229 10.6225 10.6225 11.3451 11.3451 12.4749 12.4749 k = 0.3182 0.1837-0.0000 ( 3059 PWs) bands (ev): -11.1255 -11.1255 -11.1074 -11.1074 -11.0720 -11.0720 -11.0657 -11.0657 -10.0984 -10.0984 -10.0875 -10.0875 -10.0683 -10.0683 -10.0491 -10.0491 -10.0191 -10.0191 -10.0161 -10.0161 1.6621 1.6621 4.5275 4.5275 7.2538 7.2538 7.7556 7.7556 8.3027 8.3027 8.4695 8.4695 8.9905 8.9905 9.0835 9.0835 9.4739 9.4739 9.8436 9.8436 10.0441 10.0441 10.4643 10.4643 10.5096 10.5096 10.5648 10.5648 11.2860 11.2860 12.4019 12.4019 k = 0.3295 0.1903-0.0000 ( 3059 PWs) bands (ev): -11.1251 -11.1251 -11.1078 -11.1078 -11.0716 -11.0716 -11.0658 -11.0658 -10.0981 -10.0981 -10.0877 -10.0877 -10.0678 -10.0678 -10.0498 -10.0498 -10.0186 -10.0186 -10.0157 -10.0157 1.7393 1.7393 4.4684 4.4684 7.1765 7.1765 7.8335 7.8335 8.3087 8.3087 8.4711 8.4711 9.0120 9.0120 9.1047 9.1047 9.4588 9.4588 9.8108 9.8108 10.0508 10.0508 10.4567 10.4567 10.4700 10.4700 10.5412 10.5412 11.2229 11.2229 12.3293 12.3293 k = 0.3409 0.1968-0.0000 ( 3055 PWs) bands (ev): -11.1246 -11.1246 -11.1082 -11.1082 -11.0712 -11.0712 -11.0658 -11.0658 -10.0979 -10.0979 -10.0878 -10.0878 -10.0672 -10.0672 -10.0505 -10.0505 -10.0181 -10.0181 -10.0153 -10.0153 1.8185 1.8185 4.4055 4.4055 7.1017 7.1017 7.9131 7.9131 8.3141 8.3141 8.4723 8.4723 9.0315 9.0315 9.1311 9.1311 9.4453 9.4453 9.7815 9.7815 10.0574 10.0574 10.3994 10.3994 10.4639 10.4639 10.5358 10.5358 11.1557 11.1557 12.2576 12.2576 k = 0.3523 0.2034-0.0000 ( 3049 PWs) bands (ev): -11.1242 -11.1242 -11.1087 -11.1087 -11.0708 -11.0708 -11.0659 -11.0659 -10.0976 -10.0976 -10.0880 -10.0880 -10.0667 -10.0667 -10.0512 -10.0512 -10.0176 -10.0176 -10.0149 -10.0149 1.8996 1.8996 4.3391 4.3391 7.0306 7.0306 7.9935 7.9935 8.3192 8.3192 8.4732 8.4732 9.0494 9.0494 9.1618 9.1618 9.4337 9.4337 9.7551 9.7551 10.0636 10.0636 10.3358 10.3358 10.4627 10.4627 10.5339 10.5339 11.0848 11.0848 12.1871 12.1871 k = 0.3636 0.2099-0.0000 ( 3047 PWs) bands (ev): -11.1238 -11.1238 -11.1091 -11.1091 -11.0704 -11.0704 -11.0659 -11.0659 -10.0974 -10.0974 -10.0881 -10.0881 -10.0662 -10.0662 -10.0518 -10.0518 -10.0171 -10.0171 -10.0146 -10.0146 1.9825 1.9825 4.2691 4.2691 6.9636 6.9636 8.0740 8.0740 8.3241 8.3241 8.4739 8.4739 9.0664 9.0664 9.1952 9.1952 9.4243 9.4243 9.7315 9.7315 10.0695 10.0695 10.2731 10.2731 10.4618 10.4618 10.5329 10.5329 11.0104 11.0104 12.1184 12.1184 k = 0.3750 0.2165-0.0000 ( 3051 PWs) bands (ev): -11.1233 -11.1233 -11.1096 -11.1096 -11.0701 -11.0701 -11.0660 -11.0660 -10.0972 -10.0972 -10.0883 -10.0883 -10.0656 -10.0656 -10.0525 -10.0525 -10.0167 -10.0167 -10.0142 -10.0142 2.0669 2.0669 4.1958 4.1958 6.9014 6.9014 8.1533 8.1533 8.3295 8.3295 8.4746 8.4746 9.0830 9.0830 9.2301 9.2301 9.4179 9.4179 9.7102 9.7102 10.0750 10.0750 10.2119 10.2119 10.4609 10.4609 10.5323 10.5323 10.9331 10.9331 12.0518 12.0518 k = 0.3864 0.2231-0.0000 ( 3047 PWs) bands (ev): -11.1229 -11.1229 -11.1100 -11.1100 -11.0698 -11.0698 -11.0660 -11.0660 -10.0969 -10.0969 -10.0885 -10.0885 -10.0651 -10.0651 -10.0531 -10.0531 -10.0163 -10.0163 -10.0140 -10.0140 2.1528 2.1528 4.1195 4.1195 6.8441 6.8441 8.2284 8.2284 8.3376 8.3376 8.4754 8.4754 9.0990 9.0990 9.2655 9.2655 9.4151 9.4151 9.6912 9.6912 10.0800 10.0800 10.1531 10.1531 10.4600 10.4600 10.5319 10.5319 10.8534 10.8534 11.9880 11.9880 k = 0.3977 0.2296-0.0000 ( 3048 PWs) bands (ev): -11.1225 -11.1225 -11.1104 -11.1104 -11.0695 -11.0695 -11.0661 -11.0661 -10.0967 -10.0967 -10.0887 -10.0887 -10.0645 -10.0645 -10.0537 -10.0537 -10.0158 -10.0158 -10.0137 -10.0137 2.2397 2.2397 4.0404 4.0404 6.7922 6.7922 8.2880 8.2880 8.3587 8.3587 8.4768 8.4768 9.1142 9.1142 9.3001 9.3001 9.4170 9.4170 9.6741 9.6741 10.0837 10.0837 10.0974 10.0974 10.4591 10.4591 10.5316 10.5316 10.7721 10.7721 11.9275 11.9275 k = 0.4091 0.2362-0.0000 ( 3054 PWs) bands (ev): -11.1221 -11.1221 -11.1108 -11.1108 -11.0692 -11.0692 -11.0661 -11.0661 -10.0965 -10.0965 -10.0889 -10.0889 -10.0640 -10.0640 -10.0543 -10.0543 -10.0155 -10.0155 -10.0135 -10.0135 2.3274 2.3274 3.9592 3.9592 6.7457 6.7457 8.3132 8.3132 8.4088 8.4088 8.4809 8.4809 9.1279 9.1279 9.3331 9.3331 9.4247 9.4247 9.6589 9.6589 10.0416 10.0416 10.0893 10.0893 10.4583 10.4583 10.5314 10.5314 10.6901 10.6901 11.8708 11.8708 k = 0.4205 0.2427-0.0000 ( 3050 PWs) bands (ev): -11.1217 -11.1217 -11.1112 -11.1112 -11.0689 -11.0689 -11.0661 -11.0661 -10.0963 -10.0963 -10.0890 -10.0890 -10.0635 -10.0635 -10.0549 -10.0549 -10.0151 -10.0151 -10.0133 -10.0133 2.4153 2.4153 3.8764 3.8764 6.7047 6.7047 8.3209 8.3209 8.4549 8.4549 8.5026 8.5026 9.1396 9.1396 9.3638 9.3638 9.4391 9.4391 9.6451 9.6451 9.9905 9.9905 10.0927 10.0927 10.4573 10.4573 10.5313 10.5313 10.6089 10.6089 11.8187 11.8187 k = 0.4318 0.2493-0.0000 ( 3056 PWs) bands (ev): -11.1214 -11.1214 -11.1115 -11.1115 -11.0687 -11.0687 -11.0662 -11.0662 -10.0961 -10.0961 -10.0892 -10.0892 -10.0630 -10.0630 -10.0554 -10.0554 -10.0148 -10.0148 -10.0132 -10.0132 2.5028 2.5028 3.7928 3.7928 6.6693 6.6693 8.3243 8.3243 8.4664 8.4664 8.5584 8.5584 9.1486 9.1486 9.3924 9.3924 9.4596 9.4596 9.6328 9.6328 9.9424 9.9424 10.0957 10.0957 10.4554 10.4554 10.5296 10.5296 10.5321 10.5321 11.7717 11.7717 k = 0.4432 0.2559-0.0000 ( 3054 PWs) bands (ev): -11.1211 -11.1211 -11.1118 -11.1118 -11.0685 -11.0685 -11.0662 -11.0662 -10.0959 -10.0959 -10.0894 -10.0894 -10.0625 -10.0625 -10.0559 -10.0559 -10.0145 -10.0145 -10.0131 -10.0131 2.5889 2.5889 3.7098 3.7098 6.6394 6.6394 8.3262 8.3262 8.4690 8.4690 8.6183 8.6183 9.1549 9.1549 9.4203 9.4203 9.4842 9.4842 9.6216 9.6216 9.8979 9.8979 10.0979 10.0979 10.4402 10.4402 10.4694 10.4694 10.5311 10.5311 11.7306 11.7306 k = 0.4545 0.2624-0.0000 ( 3050 PWs) bands (ev): -11.1208 -11.1208 -11.1121 -11.1121 -11.0684 -11.0684 -11.0662 -11.0662 -10.0958 -10.0958 -10.0895 -10.0895 -10.0621 -10.0621 -10.0564 -10.0564 -10.0142 -10.0142 -10.0130 -10.0130 2.6719 2.6719 3.6290 3.6290 6.6150 6.6150 8.3274 8.3274 8.4700 8.4700 8.6725 8.6725 9.1586 9.1586 9.4488 9.4488 9.5101 9.5101 9.6113 9.6113 9.8576 9.8576 10.0994 10.0994 10.3794 10.3794 10.4602 10.4602 10.5311 10.5311 11.6959 11.6959 k = 0.4659 0.2690-0.0000 ( 3050 PWs) bands (ev): -11.1205 -11.1205 -11.1124 -11.1124 -11.0682 -11.0682 -11.0663 -11.0663 -10.0956 -10.0956 -10.0896 -10.0896 -10.0617 -10.0617 -10.0568 -10.0568 -10.0140 -10.0140 -10.0130 -10.0130 2.7489 2.7489 3.5535 3.5535 6.5961 6.5961 8.3281 8.3281 8.4704 8.4704 8.7179 8.7179 9.1602 9.1602 9.4775 9.4775 9.5348 9.5348 9.6015 9.6015 9.8226 9.8226 10.0998 10.0998 10.3202 10.3202 10.4588 10.4588 10.5311 10.5311 11.6682 11.6682 k = 0.4773 0.2756-0.0000 ( 3058 PWs) bands (ev): -11.1204 -11.1204 -11.1125 -11.1125 -11.0682 -11.0682 -11.0663 -11.0663 -10.0956 -10.0956 -10.0897 -10.0897 -10.0613 -10.0613 -10.0572 -10.0572 -10.0138 -10.0138 -10.0130 -10.0130 2.8152 2.8152 3.4883 3.4883 6.5826 6.5826 8.3286 8.3286 8.4706 8.4706 8.7523 8.7523 9.1606 9.1606 9.5047 9.5047 9.5560 9.5560 9.5916 9.5916 9.7943 9.7943 10.0992 10.0992 10.2736 10.2736 10.4582 10.4582 10.5310 10.5310 11.6480 11.6480 k = 0.4886 0.2821-0.0000 ( 3064 PWs) bands (ev): -11.1203 -11.1203 -11.1126 -11.1126 -11.0681 -11.0681 -11.0663 -11.0663 -10.0955 -10.0955 -10.0898 -10.0898 -10.0611 -10.0611 -10.0574 -10.0574 -10.0137 -10.0137 -10.0129 -10.0129 2.8623 2.8623 3.4417 3.4417 6.5746 6.5746 8.3288 8.3288 8.4707 8.4707 8.7737 8.7737 9.1604 9.1604 9.5272 9.5272 9.5706 9.5706 9.5820 9.5820 9.7752 9.7752 10.0978 10.0978 10.2438 10.2438 10.4579 10.4579 10.5310 10.5310 11.6358 11.6358 k = 0.5000 0.2887-0.0000 ( 3068 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0955 -10.0955 -10.0898 -10.0898 -10.0610 -10.0610 -10.0575 -10.0575 -10.0137 -10.0137 -10.0129 -10.0129 2.8799 2.8799 3.4243 3.4243 6.5719 6.5719 8.3288 8.3288 8.4707 8.4707 8.7810 8.7810 9.1603 9.1603 9.5376 9.5376 9.5742 9.5742 9.5782 9.5782 9.7684 9.7684 10.0971 10.0971 10.2337 10.2337 10.4578 10.4578 10.5310 10.5310 11.6316 11.6316 k = 0.5000 0.2887-0.0000 ( 3068 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0955 -10.0955 -10.0898 -10.0898 -10.0610 -10.0610 -10.0575 -10.0575 -10.0137 -10.0137 -10.0129 -10.0129 2.8799 2.8799 3.4243 3.4243 6.5719 6.5719 8.3288 8.3288 8.4707 8.4707 8.7810 8.7810 9.1603 9.1603 9.5376 9.5376 9.5742 9.5742 9.5782 9.5782 9.7684 9.7684 10.0971 10.0971 10.2337 10.2337 10.4578 10.4578 10.5310 10.5310 11.6316 11.6316 k = 0.4933 0.3002-0.0000 ( 3068 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0955 -10.0955 -10.0897 -10.0897 -10.0612 -10.0612 -10.0573 -10.0573 -10.0137 -10.0137 -10.0129 -10.0129 2.8810 2.8810 3.4253 3.4253 6.5706 6.5706 8.3263 8.3263 8.4666 8.4666 8.7820 8.7820 9.1547 9.1547 9.5090 9.5090 9.5787 9.5787 9.6062 9.6062 9.7697 9.7697 10.1012 10.1012 10.2338 10.2338 10.4578 10.4578 10.5309 10.5309 11.6367 11.6367 k = 0.4867 0.3118-0.0000 ( 3066 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0957 -10.0957 -10.0896 -10.0896 -10.0617 -10.0617 -10.0568 -10.0568 -10.0138 -10.0138 -10.0129 -10.0129 2.8842 2.8842 3.4283 3.4283 6.5666 6.5666 8.3185 8.3185 8.4544 8.4544 8.7849 8.7849 9.1384 9.1384 9.4735 9.4735 9.5819 9.5819 9.6500 9.6500 9.7742 9.7742 10.1133 10.1133 10.2341 10.2341 10.4579 10.4579 10.5308 10.5308 11.6518 11.6518 k = 0.4800 0.3233-0.0000 ( 3070 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0680 -11.0680 -11.0663 -11.0663 -10.0959 -10.0959 -10.0893 -10.0893 -10.0623 -10.0623 -10.0561 -10.0561 -10.0139 -10.0139 -10.0128 -10.0128 2.8895 2.8895 3.4334 3.4334 6.5599 6.5599 8.3060 8.3060 8.4337 8.4337 8.7898 8.7898 9.1128 9.1128 9.4441 9.4441 9.5888 9.5888 9.6893 9.6893 9.7839 9.7839 10.1322 10.1322 10.2349 10.2349 10.4581 10.4581 10.5307 10.5307 11.6763 11.6763 k = 0.4733 0.3349-0.0000 ( 3066 PWs) bands (ev): -11.1202 -11.1202 -11.1128 -11.1128 -11.0680 -11.0680 -11.0663 -11.0663 -10.0961 -10.0961 -10.0890 -10.0890 -10.0630 -10.0630 -10.0554 -10.0554 -10.0140 -10.0140 -10.0127 -10.0127 2.8969 2.8969 3.4404 3.4404 6.5502 6.5502 8.2890 8.2890 8.4045 8.4045 8.7966 8.7966 9.0810 9.0810 9.4204 9.4204 9.6008 9.6008 9.7182 9.7182 9.8022 9.8022 10.1563 10.1563 10.2373 10.2373 10.4584 10.4584 10.5305 10.5305 11.7095 11.7095 k = 0.4667 0.3464-0.0000 ( 3066 PWs) bands (ev): -11.1201 -11.1201 -11.1128 -11.1128 -11.0679 -11.0679 -11.0663 -11.0663 -10.0964 -10.0964 -10.0886 -10.0886 -10.0637 -10.0637 -10.0546 -10.0546 -10.0141 -10.0141 -10.0127 -10.0127 2.9064 2.9064 3.4493 3.4493 6.5372 6.5372 8.2680 8.2680 8.3670 8.3670 8.8052 8.8052 9.0471 9.0471 9.4002 9.4002 9.6189 9.6189 9.7355 9.7355 9.8288 9.8288 10.1818 10.1818 10.2441 10.2441 10.4587 10.4587 10.5303 10.5303 11.7502 11.7502 k = 0.4600 0.3580-0.0000 ( 3060 PWs) bands (ev): -11.1201 -11.1201 -11.1128 -11.1128 -11.0679 -11.0679 -11.0662 -11.0662 -10.0967 -10.0967 -10.0882 -10.0882 -10.0645 -10.0645 -10.0538 -10.0538 -10.0143 -10.0143 -10.0126 -10.0126 2.9181 2.9181 3.4600 3.4600 6.5206 6.5206 8.2431 8.2431 8.3223 8.3223 8.8157 8.8157 9.0145 9.0145 9.3815 9.3815 9.6430 9.6430 9.7463 9.7463 9.8584 9.8584 10.2007 10.2007 10.2624 10.2624 10.4591 10.4591 10.5301 10.5301 11.7972 11.7972 k = 0.4533 0.3695-0.0000 ( 3064 PWs) bands (ev): -11.1201 -11.1201 -11.1129 -11.1129 -11.0678 -11.0678 -11.0662 -11.0662 -10.0971 -10.0971 -10.0878 -10.0878 -10.0652 -10.0652 -10.0530 -10.0530 -10.0144 -10.0144 -10.0125 -10.0125 2.9318 2.9318 3.4722 3.4722 6.5000 6.5000 8.2137 8.2137 8.2731 8.2731 8.8279 8.8279 8.9854 8.9854 9.3631 9.3631 9.6722 9.6722 9.7551 9.7551 9.8868 9.8868 10.2088 10.2088 10.2957 10.2957 10.4596 10.4596 10.5298 10.5298 11.8491 11.8491 k = 0.4467 0.3811-0.0000 ( 3060 PWs) bands (ev): -11.1200 -11.1200 -11.1130 -11.1130 -11.0678 -11.0678 -11.0662 -11.0662 -10.0974 -10.0974 -10.0873 -10.0873 -10.0659 -10.0659 -10.0522 -10.0522 -10.0146 -10.0146 -10.0124 -10.0124 2.9476 2.9476 3.4860 3.4860 6.4750 6.4750 8.1770 8.1770 8.2250 8.2250 8.8417 8.8417 8.9608 8.9608 9.3448 9.3448 9.7036 9.7036 9.7656 9.7656 9.9123 9.9123 10.2109 10.2109 10.3387 10.3387 10.4603 10.4603 10.5296 10.5296 11.9045 11.9045 k = 0.4400 0.3926-0.0000 ( 3060 PWs) bands (ev): -11.1200 -11.1200 -11.1130 -11.1130 -11.0677 -11.0677 -11.0662 -11.0662 -10.0977 -10.0977 -10.0869 -10.0869 -10.0666 -10.0666 -10.0514 -10.0514 -10.0148 -10.0148 -10.0123 -10.0123 2.9654 2.9654 3.5010 3.5010 6.4452 6.4452 8.1293 8.1293 8.1843 8.1843 8.8565 8.8565 8.9411 8.9411 9.3265 9.3265 9.7307 9.7307 9.7841 9.7841 9.9343 9.9343 10.2107 10.2107 10.3868 10.3868 10.4614 10.4614 10.5293 10.5293 11.9622 11.9622 k = 0.4333 0.4041-0.0000 ( 3064 PWs) bands (ev): -11.1199 -11.1199 -11.1131 -11.1131 -11.0676 -11.0676 -11.0662 -11.0662 -10.0980 -10.0980 -10.0864 -10.0864 -10.0672 -10.0672 -10.0506 -10.0506 -10.0149 -10.0149 -10.0122 -10.0122 2.9853 2.9853 3.5169 3.5169 6.4103 6.4103 8.0746 8.0746 8.1498 8.1498 8.8715 8.8715 8.9267 8.9267 9.3085 9.3085 9.7472 9.7472 9.8163 9.8163 9.9531 9.9531 10.2092 10.2092 10.4361 10.4361 10.4654 10.4654 10.5291 10.5291 12.0210 12.0210 k = 0.4267 0.4157-0.0000 ( 3060 PWs) bands (ev): -11.1199 -11.1199 -11.1132 -11.1132 -11.0675 -11.0675 -11.0661 -11.0661 -10.0983 -10.0983 -10.0859 -10.0859 -10.0678 -10.0678 -10.0498 -10.0498 -10.0151 -10.0151 -10.0121 -10.0121 3.0071 3.0071 3.5336 3.5336 6.3702 6.3702 8.0191 8.0191 8.1180 8.1180 8.8834 8.8834 8.9202 8.9202 9.2909 9.2909 9.7568 9.7568 9.8571 9.8571 9.9694 9.9694 10.2072 10.2072 10.4574 10.4574 10.4998 10.4998 10.5300 10.5300 12.0800 12.0800 k = 0.4200 0.4272-0.0000 ( 3060 PWs) bands (ev): -11.1198 -11.1198 -11.1133 -11.1133 -11.0675 -11.0675 -11.0661 -11.0661 -10.0986 -10.0986 -10.0855 -10.0855 -10.0685 -10.0685 -10.0491 -10.0491 -10.0153 -10.0153 -10.0120 -10.0120 3.0309 3.0309 3.5505 3.5505 6.3250 6.3250 7.9664 7.9664 8.0873 8.0873 8.8855 8.8855 8.9273 8.9273 9.2740 9.2740 9.7639 9.7639 9.9001 9.9001 9.9850 9.9850 10.2046 10.2046 10.4597 10.4597 10.5255 10.5255 10.5617 10.5617 12.1383 12.1383 k = 0.4133 0.4388-0.0000 ( 3064 PWs) bands (ev): -11.1197 -11.1197 -11.1134 -11.1134 -11.0674 -11.0674 -11.0660 -11.0660 -10.0989 -10.0989 -10.0851 -10.0851 -10.0690 -10.0690 -10.0484 -10.0484 -10.0154 -10.0154 -10.0120 -10.0120 3.0567 3.0567 3.5674 3.5674 6.2750 6.2750 7.9183 7.9183 8.0574 8.0574 8.8812 8.8812 8.9441 8.9441 9.2580 9.2580 9.7702 9.7702 9.9384 9.9384 10.0045 10.0045 10.2018 10.2018 10.4607 10.4607 10.5261 10.5261 10.6225 10.6225 12.1952 12.1952 k = 0.4067 0.4503-0.0000 ( 3064 PWs) bands (ev): -11.1196 -11.1196 -11.1135 -11.1135 -11.0673 -11.0673 -11.0660 -11.0660 -10.0991 -10.0991 -10.0847 -10.0847 -10.0696 -10.0696 -10.0478 -10.0478 -10.0156 -10.0156 -10.0119 -10.0119 3.0844 3.0844 3.5836 3.5836 6.2209 6.2209 7.8759 7.8759 8.0285 8.0285 8.8759 8.8759 8.9644 8.9644 9.2431 9.2431 9.7764 9.7764 9.9629 9.9629 10.0361 10.0361 10.1987 10.1987 10.4614 10.4614 10.5257 10.5257 10.6873 10.6873 12.2500 12.2500 k = 0.4000 0.4619-0.0000 ( 3066 PWs) bands (ev): -11.1195 -11.1195 -11.1136 -11.1136 -11.0673 -11.0673 -11.0659 -11.0659 -10.0994 -10.0994 -10.0843 -10.0843 -10.0700 -10.0700 -10.0472 -10.0472 -10.0158 -10.0158 -10.0118 -10.0118 3.1140 3.1140 3.5986 3.5986 6.1636 6.1636 7.8398 7.8398 8.0005 8.0005 8.8712 8.8712 8.9860 8.9860 9.2293 9.2293 9.7825 9.7825 9.9741 9.9741 10.0787 10.0787 10.1956 10.1956 10.4619 10.4619 10.5253 10.5253 10.7547 10.7547 12.3015 12.3015 k = 0.3933 0.4734-0.0000 ( 3070 PWs) bands (ev): -11.1194 -11.1194 -11.1137 -11.1137 -11.0672 -11.0672 -11.0659 -11.0659 -10.0995 -10.0995 -10.0840 -10.0840 -10.0705 -10.0705 -10.0466 -10.0466 -10.0159 -10.0159 -10.0117 -10.0117 3.1453 3.1453 3.6117 3.6117 6.1044 6.1044 7.8101 7.8101 7.9737 7.9737 8.8672 8.8672 9.0082 9.0082 9.2169 9.2169 9.7888 9.7888 9.9785 9.9785 10.1250 10.1250 10.1926 10.1926 10.4624 10.4624 10.5247 10.5247 10.8246 10.8246 12.3445 12.3445 k = 0.3867 0.4850-0.0000 ( 3067 PWs) bands (ev): -11.1193 -11.1193 -11.1139 -11.1139 -11.0672 -11.0672 -11.0658 -11.0658 -10.0997 -10.0997 -10.0836 -10.0836 -10.0709 -10.0709 -10.0461 -10.0461 -10.0160 -10.0160 -10.0116 -10.0116 3.1785 3.1785 3.6221 3.6221 6.0449 6.0449 7.7865 7.7865 7.9482 7.9482 8.8641 8.8641 9.0303 9.0303 9.2059 9.2059 9.7953 9.7953 9.9794 9.9794 10.1687 10.1687 10.1926 10.1926 10.4629 10.4629 10.5242 10.5242 10.8969 10.8969 12.3382 12.3382 k = 0.3800 0.4965-0.0000 ( 3067 PWs) bands (ev): -11.1192 -11.1192 -11.1140 -11.1140 -11.0671 -11.0671 -11.0658 -11.0658 -10.0999 -10.0999 -10.0834 -10.0834 -10.0713 -10.0713 -10.0456 -10.0456 -10.0162 -10.0162 -10.0116 -10.0116 3.2134 3.2134 3.6288 3.6288 5.9866 5.9866 7.7687 7.7687 7.9242 7.9242 8.8615 8.8615 9.0517 9.0517 9.1966 9.1966 9.8020 9.8020 9.9780 9.9780 10.1814 10.1814 10.2221 10.2221 10.4633 10.4633 10.5237 10.5237 10.9714 10.9714 12.2540 12.2540 k = 0.3733 0.5081-0.0000 ( 3069 PWs) bands (ev): -11.1191 -11.1191 -11.1141 -11.1141 -11.0671 -11.0671 -11.0657 -11.0657 -10.1000 -10.1000 -10.0831 -10.0831 -10.0716 -10.0716 -10.0452 -10.0452 -10.0163 -10.0163 -10.0115 -10.0115 3.2500 3.2500 3.6311 3.6311 5.9314 5.9314 7.7561 7.7561 7.9019 7.9019 8.8595 8.8595 9.0718 9.0718 9.1891 9.1891 9.8087 9.8087 9.9750 9.9750 10.1792 10.1792 10.2637 10.2637 10.4637 10.4637 10.5233 10.5233 11.0480 11.0480 12.1531 12.1531 k = 0.3667 0.5196-0.0000 ( 3071 PWs) bands (ev): -11.1190 -11.1190 -11.1142 -11.1142 -11.0671 -11.0671 -11.0657 -11.0657 -10.1001 -10.1001 -10.0829 -10.0829 -10.0718 -10.0718 -10.0449 -10.0449 -10.0164 -10.0164 -10.0114 -10.0114 3.2882 3.2882 3.6279 3.6279 5.8810 5.8810 7.7481 7.7481 7.8815 7.8815 8.8579 8.8579 9.0898 9.0898 9.1838 9.1838 9.8154 9.8154 9.9708 9.9708 10.1762 10.1762 10.3024 10.3024 10.4639 10.4639 10.5228 10.5228 11.1267 11.1267 12.0491 12.0491 k = 0.3600 0.5312-0.0000 ( 3063 PWs) bands (ev): -11.1189 -11.1189 -11.1143 -11.1143 -11.0670 -11.0670 -11.0656 -11.0656 -10.1002 -10.1002 -10.0827 -10.0827 -10.0721 -10.0721 -10.0446 -10.0446 -10.0164 -10.0164 -10.0114 -10.0114 3.3280 3.3280 3.6182 3.6182 5.8372 5.8372 7.7440 7.7440 7.8634 7.8634 8.8568 8.8568 9.1047 9.1047 9.1809 9.1809 9.8220 9.8220 9.9661 9.9661 10.1734 10.1734 10.3364 10.3364 10.4641 10.4641 10.5224 10.5224 11.2074 11.2074 11.9449 11.9449 k = 0.3533 0.5427-0.0000 ( 3065 PWs) bands (ev): -11.1188 -11.1188 -11.1144 -11.1144 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0826 -10.0826 -10.0722 -10.0722 -10.0444 -10.0444 -10.0165 -10.0165 -10.0113 -10.0113 3.3693 3.3693 3.6012 3.6012 5.8013 5.8013 7.7427 7.7427 7.8478 7.8478 8.8560 8.8560 9.1156 9.1156 9.1807 9.1807 9.8281 9.8281 9.9611 9.9611 10.1709 10.1709 10.3645 10.3645 10.4643 10.4643 10.5221 10.5221 11.2899 11.2899 11.8419 11.8419 k = 0.3467 0.5543-0.0000 ( 3055 PWs) bands (ev): -11.1187 -11.1187 -11.1145 -11.1145 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0723 -10.0723 -10.0442 -10.0442 -10.0165 -10.0165 -10.0113 -10.0113 3.4120 3.4120 3.5763 3.5763 5.7748 5.7748 7.7435 7.7435 7.8356 7.8356 8.8556 8.8556 9.1224 9.1224 9.1826 9.1826 9.8332 9.8332 9.9567 9.9567 10.1690 10.1690 10.3856 10.3856 10.4644 10.4644 10.5219 10.5219 11.3741 11.3741 11.7418 11.7418 k = 0.3400 0.5658-0.0000 ( 3059 PWs) bands (ev): -11.1187 -11.1187 -11.1146 -11.1146 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0724 -10.0724 -10.0441 -10.0441 -10.0165 -10.0165 -10.0113 -10.0113 3.4560 3.4560 3.5431 3.5431 5.7585 5.7585 7.7449 7.7449 7.8276 7.8276 8.8552 8.8552 9.1258 9.1258 9.1850 9.1850 9.8368 9.8368 9.9535 9.9535 10.1678 10.1678 10.3987 10.3987 10.4645 10.4645 10.5217 10.5217 11.4591 11.4591 11.6464 11.6464 k = 0.3333 0.5774-0.0000 ( 3063 PWs) bands (ev): -11.1187 -11.1187 -11.1146 -11.1146 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0724 -10.0724 -10.0441 -10.0441 -10.0166 -10.0166 -10.0113 -10.0113 3.5003 3.5003 3.5024 3.5024 5.7530 5.7530 7.7456 7.7456 7.8247 7.8247 8.8552 8.8552 9.1268 9.1268 9.1860 9.1860 9.8381 9.8381 9.9522 9.9522 10.1673 10.1673 10.4032 10.4032 10.4645 10.4645 10.5217 10.5217 11.5263 11.5263 11.5755 11.5755 k = 0.3333 0.5774-0.0000 ( 3063 PWs) bands (ev): -11.1187 -11.1187 -11.1146 -11.1146 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0724 -10.0724 -10.0441 -10.0441 -10.0166 -10.0166 -10.0113 -10.0113 3.5003 3.5003 3.5024 3.5024 5.7530 5.7530 7.7456 7.7456 7.8247 7.8247 8.8552 8.8552 9.1268 9.1268 9.1860 9.1860 9.8381 9.8381 9.9522 9.9522 10.1673 10.1673 10.4032 10.4032 10.4645 10.4645 10.5217 10.5217 11.5263 11.5263 11.5755 11.5755 k = 0.3267 0.5658-0.0000 ( 3053 PWs) bands (ev): -11.1187 -11.1187 -11.1146 -11.1146 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0724 -10.0724 -10.0441 -10.0441 -10.0165 -10.0165 -10.0113 -10.0113 3.4513 3.4513 3.5478 3.5478 5.7585 5.7585 7.7448 7.7448 7.8276 7.8276 8.8552 8.8552 9.1258 9.1258 9.1849 9.1849 9.8367 9.8367 9.9536 9.9536 10.1678 10.1678 10.3986 10.3986 10.4645 10.4645 10.5218 10.5218 11.4613 11.4613 11.6446 11.6446 k = 0.3200 0.5543-0.0000 ( 3057 PWs) bands (ev): -11.1187 -11.1187 -11.1145 -11.1145 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0723 -10.0723 -10.0442 -10.0442 -10.0165 -10.0165 -10.0113 -10.0113 3.3936 3.3936 3.5954 3.5954 5.7748 5.7748 7.7428 7.7428 7.8355 7.8355 8.8555 8.8555 9.1214 9.1214 9.1816 9.1816 9.8323 9.8323 9.9578 9.9578 10.1690 10.1690 10.3849 10.3849 10.4644 10.4644 10.5219 10.5219 11.3836 11.3836 11.7351 11.7351 k = 0.3133 0.5427-0.0000 ( 3063 PWs) bands (ev): -11.1188 -11.1188 -11.1144 -11.1144 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0826 -10.0826 -10.0723 -10.0723 -10.0443 -10.0443 -10.0165 -10.0165 -10.0114 -10.0114 3.3287 3.3287 3.6439 3.6439 5.8015 5.8015 7.7405 7.7405 7.8475 7.8475 8.8556 8.8556 9.1112 9.1112 9.1783 9.1783 9.8254 9.8254 9.9644 9.9644 10.1709 10.1709 10.3625 10.3625 10.4643 10.4643 10.5221 10.5221 11.3127 11.3127 11.8283 11.8283 k = 0.3067 0.5312-0.0000 ( 3069 PWs) bands (ev): -11.1190 -11.1190 -11.1142 -11.1142 -11.0671 -11.0671 -11.0656 -11.0656 -10.1002 -10.1002 -10.0827 -10.0827 -10.0721 -10.0721 -10.0445 -10.0445 -10.0165 -10.0165 -10.0114 -10.0114 3.2577 3.2577 3.6933 3.6933 5.8381 5.8381 7.7388 7.7388 7.8623 7.8623 8.8556 8.8556 9.0927 9.0927 9.1771 9.1771 9.8165 9.8165 9.9730 9.9730 10.1730 10.1730 10.3323 10.3323 10.4642 10.4642 10.5223 10.5223 11.2503 11.2503 11.9234 11.9234 k = 0.3000 0.5196-0.0000 ( 3069 PWs) bands (ev): -11.1192 -11.1192 -11.1140 -11.1140 -11.0671 -11.0671 -11.0657 -11.0657 -10.1002 -10.1002 -10.0828 -10.0828 -10.0720 -10.0720 -10.0447 -10.0447 -10.0165 -10.0165 -10.0115 -10.0115 3.1812 3.1812 3.7435 3.7435 5.8836 5.8836 7.7384 7.7384 7.8792 7.8792 8.8555 8.8555 9.0647 9.0647 9.1791 9.1791 9.8061 9.8061 9.9825 9.9825 10.1750 10.1750 10.2959 10.2959 10.4641 10.4641 10.5227 10.5227 11.1972 11.1972 12.0204 12.0204 k = 0.2933 0.5081-0.0000 ( 3059 PWs) bands (ev): -11.1194 -11.1194 -11.1138 -11.1138 -11.0672 -11.0672 -11.0657 -11.0657 -10.1001 -10.1001 -10.0829 -10.0829 -10.0719 -10.0719 -10.0450 -10.0450 -10.0165 -10.0165 -10.0116 -10.0116 3.1004 3.1004 3.7944 3.7944 5.9375 5.9375 7.7395 7.7395 7.8977 7.8977 8.8548 8.8548 9.0280 9.0280 9.1838 9.1838 9.7949 9.7949 9.9916 9.9916 10.1757 10.1757 10.2559 10.2559 10.4642 10.4642 10.5231 10.5231 11.1540 11.1540 12.1189 12.1189 k = 0.2867 0.4965-0.0000 ( 3059 PWs) bands (ev): -11.1197 -11.1197 -11.1135 -11.1135 -11.0672 -11.0672 -11.0658 -11.0658 -10.1001 -10.1001 -10.0830 -10.0830 -10.0717 -10.0717 -10.0452 -10.0452 -10.0165 -10.0165 -10.0117 -10.0117 3.0159 3.0159 3.8458 3.8458 5.9989 5.9989 7.7425 7.7425 7.9172 7.9172 8.8527 8.8527 8.9843 8.9843 9.1906 9.1906 9.7831 9.7831 9.9973 9.9973 10.1724 10.1724 10.2184 10.2184 10.4641 10.4641 10.5236 10.5236 11.1210 11.1210 12.2189 12.2189 k = 0.2800 0.4850-0.0000 ( 3059 PWs) bands (ev): -11.1199 -11.1199 -11.1132 -11.1132 -11.0673 -11.0673 -11.0658 -11.0658 -10.1000 -10.1000 -10.0831 -10.0831 -10.0715 -10.0715 -10.0455 -10.0455 -10.0165 -10.0165 -10.0118 -10.0118 2.9287 2.9287 3.8976 3.8976 6.0670 6.0670 7.7474 7.7474 7.9374 7.9374 8.8463 8.8463 8.9373 8.9373 9.1991 9.1991 9.7710 9.7710 9.9940 9.9940 10.1587 10.1587 10.1961 10.1961 10.4640 10.4640 10.5241 10.5241 11.0980 11.0980 12.3203 12.3203 k = 0.2733 0.4734-0.0000 ( 3061 PWs) bands (ev): -11.1202 -11.1202 -11.1129 -11.1129 -11.0675 -11.0675 -11.0659 -11.0659 -10.0999 -10.0999 -10.0832 -10.0832 -10.0714 -10.0714 -10.0458 -10.0458 -10.0165 -10.0165 -10.0120 -10.0120 2.8394 2.8394 3.9496 3.9496 6.1412 6.1412 7.7544 7.7544 7.9581 7.9581 8.8252 8.8252 8.8984 8.8984 9.2091 9.2091 9.7590 9.7590 9.9736 9.9736 10.1436 10.1436 10.1888 10.1888 10.4639 10.4639 10.5246 10.5246 11.0847 11.0847 12.4230 12.4230 k = 0.2667 0.4619-0.0000 ( 3057 PWs) bands (ev): -11.1206 -11.1206 -11.1126 -11.1126 -11.0677 -11.0677 -11.0659 -11.0659 -10.0998 -10.0998 -10.0834 -10.0834 -10.0712 -10.0712 -10.0461 -10.0461 -10.0166 -10.0166 -10.0122 -10.0122 2.7487 2.7487 4.0018 4.0018 6.2209 6.2209 7.7635 7.7635 7.9791 7.9791 8.7766 8.7766 8.8812 8.8812 9.2204 9.2204 9.7475 9.7475 9.9334 9.9334 10.1422 10.1422 10.1851 10.1851 10.4638 10.4638 10.5251 10.5251 11.0806 11.0806 12.5267 12.5267 k = 0.2600 0.4503-0.0000 ( 3055 PWs) bands (ev): -11.1209 -11.1209 -11.1122 -11.1122 -11.0679 -11.0679 -11.0659 -11.0659 -10.0998 -10.0998 -10.0835 -10.0835 -10.0710 -10.0710 -10.0464 -10.0464 -10.0167 -10.0167 -10.0124 -10.0124 2.6572 2.6572 4.0540 4.0540 6.3053 6.3053 7.7747 7.7747 8.0001 8.0001 8.7112 8.7112 8.8759 8.8759 9.2330 9.2330 9.7363 9.7363 9.8801 9.8801 10.1510 10.1510 10.1826 10.1826 10.4638 10.4638 10.5257 10.5257 11.0847 11.0847 12.6313 12.6313 k = 0.2533 0.4388-0.0000 ( 3051 PWs) bands (ev): -11.1213 -11.1213 -11.1118 -11.1118 -11.0681 -11.0681 -11.0659 -11.0659 -10.0997 -10.0997 -10.0837 -10.0837 -10.0709 -10.0709 -10.0467 -10.0467 -10.0168 -10.0168 -10.0126 -10.0126 2.5653 2.5653 4.1061 4.1061 6.3940 6.3940 7.7879 7.7879 8.0210 8.0210 8.6384 8.6384 8.8741 8.8741 9.2467 9.2467 9.7252 9.7252 9.8208 9.8208 10.1596 10.1596 10.1864 10.1864 10.4637 10.4637 10.5264 10.5264 11.0960 11.0960 12.7364 12.7364 k = 0.2467 0.4272-0.0000 ( 3051 PWs) bands (ev): -11.1217 -11.1217 -11.1114 -11.1114 -11.0683 -11.0683 -11.0659 -11.0659 -10.0997 -10.0997 -10.0838 -10.0838 -10.0707 -10.0707 -10.0469 -10.0469 -10.0169 -10.0169 -10.0128 -10.0128 2.4734 2.4734 4.1579 4.1579 6.4864 6.4864 7.8032 7.8032 8.0416 8.0416 8.5613 8.5613 8.8735 8.8735 9.2614 9.2614 9.7111 9.7111 9.7625 9.7625 10.1583 10.1583 10.2033 10.2033 10.4637 10.4637 10.5272 10.5272 11.1135 11.1135 12.8415 12.8415 k = 0.2400 0.4157-0.0000 ( 3047 PWs) bands (ev): -11.1220 -11.1220 -11.1110 -11.1110 -11.0686 -11.0686 -11.0659 -11.0659 -10.0996 -10.0996 -10.0839 -10.0839 -10.0706 -10.0706 -10.0471 -10.0471 -10.0171 -10.0171 -10.0131 -10.0131 2.3820 2.3820 4.2093 4.2093 6.5819 6.5819 7.8203 7.8203 8.0616 8.0616 8.4816 8.4816 8.8736 8.8736 9.2771 9.2771 9.6745 9.6745 9.7269 9.7269 10.1520 10.1520 10.2276 10.2276 10.4638 10.4638 10.5280 10.5280 11.1361 11.1361 12.9458 12.9458 k = 0.2333 0.4041-0.0000 ( 3051 PWs) bands (ev): -11.1224 -11.1224 -11.1106 -11.1106 -11.0689 -11.0689 -11.0659 -11.0659 -10.0996 -10.0996 -10.0841 -10.0841 -10.0705 -10.0705 -10.0473 -10.0473 -10.0173 -10.0173 -10.0134 -10.0134 2.2914 2.2914 4.2602 4.2602 6.6800 6.6800 7.8391 7.8391 8.0808 8.0808 8.4006 8.4006 8.8741 8.8741 9.2937 9.2937 9.6144 9.6144 9.7164 9.7164 10.1437 10.1437 10.2556 10.2556 10.4639 10.4639 10.5290 10.5290 11.1628 11.1628 13.0482 13.0482 k = 0.2267 0.3926-0.0000 ( 3053 PWs) bands (ev): -11.1228 -11.1228 -11.1102 -11.1102 -11.0693 -11.0693 -11.0659 -11.0659 -10.0995 -10.0995 -10.0842 -10.0842 -10.0704 -10.0704 -10.0474 -10.0474 -10.0175 -10.0175 -10.0137 -10.0137 2.2017 2.2017 4.3103 4.3103 6.7802 6.7802 7.8589 7.8589 8.0988 8.0988 8.3197 8.3197 8.8748 8.8748 9.3110 9.3110 9.5504 9.5504 9.7127 9.7127 10.1345 10.1345 10.2863 10.2863 10.4642 10.4642 10.5301 10.5301 11.1928 11.1928 13.1470 13.1470 k = 0.2200 0.3811-0.0000 ( 3051 PWs) bands (ev): -11.1233 -11.1233 -11.1097 -11.1097 -11.0696 -11.0696 -11.0659 -11.0659 -10.0995 -10.0995 -10.0844 -10.0844 -10.0704 -10.0704 -10.0475 -10.0475 -10.0178 -10.0178 -10.0140 -10.0140 2.1134 2.1134 4.3597 4.3597 6.8818 6.8818 7.8792 7.8792 8.1142 8.1142 8.2415 8.2415 8.8758 8.8758 9.3291 9.3291 9.4865 9.4865 9.7128 9.7128 10.1247 10.1247 10.3194 10.3194 10.4644 10.4644 10.5314 10.5314 11.2252 11.2252 13.2402 13.2402 k = 0.2133 0.3695-0.0000 ( 3053 PWs) bands (ev): -11.1237 -11.1237 -11.1093 -11.1093 -11.0700 -11.0700 -11.0659 -11.0659 -10.0995 -10.0995 -10.0845 -10.0845 -10.0704 -10.0704 -10.0475 -10.0475 -10.0181 -10.0181 -10.0144 -10.0144 2.0264 2.0264 4.4081 4.4081 6.9843 6.9843 7.8976 7.8976 8.1175 8.1175 8.1781 8.1781 8.8772 8.8772 9.3473 9.3473 9.4244 9.4244 9.7164 9.7164 10.1144 10.1144 10.3546 10.3546 10.4648 10.4648 10.5332 10.5332 11.2594 11.2594 13.3259 13.3259 k = 0.2067 0.3580-0.0000 ( 3057 PWs) bands (ev): -11.1241 -11.1241 -11.1089 -11.1089 -11.0704 -11.0704 -11.0658 -11.0658 -10.0995 -10.0995 -10.0847 -10.0847 -10.0704 -10.0704 -10.0474 -10.0474 -10.0184 -10.0184 -10.0148 -10.0148 1.9412 1.9412 4.4554 4.4554 7.0868 7.0868 7.9080 7.9080 8.0781 8.0781 8.1661 8.1661 8.8789 8.8789 9.3543 9.3543 9.3758 9.3758 9.7238 9.7238 10.1042 10.1042 10.3914 10.3914 10.4654 10.4654 10.5356 10.5356 11.2948 11.2948 13.4029 13.4029 k = 0.2000 0.3464-0.0000 ( 3061 PWs) bands (ev): -11.1245 -11.1245 -11.1084 -11.1084 -11.0708 -11.0708 -11.0658 -11.0658 -10.0995 -10.0995 -10.0849 -10.0849 -10.0705 -10.0705 -10.0473 -10.0473 -10.0188 -10.0188 -10.0152 -10.0152 1.8577 1.8577 4.5016 4.5016 7.1887 7.1887 7.8939 7.8939 8.0416 8.0416 8.1769 8.1769 8.8812 8.8812 9.3017 9.3017 9.3896 9.3896 9.7353 9.7353 10.0937 10.0937 10.4290 10.4290 10.4664 10.4664 10.5395 10.5395 11.3308 11.3308 13.4716 13.4716 k = 0.1933 0.3349-0.0000 ( 3055 PWs) bands (ev): -11.1250 -11.1250 -11.1080 -11.1080 -11.0712 -11.0712 -11.0658 -11.0658 -10.0995 -10.0995 -10.0850 -10.0850 -10.0706 -10.0706 -10.0471 -10.0471 -10.0192 -10.0192 -10.0156 -10.0156 1.7763 1.7763 4.5465 4.5465 7.2889 7.2889 7.8441 7.8441 8.0397 8.0397 8.1901 8.1901 8.8842 8.8842 9.2461 9.2461 9.4098 9.4098 9.7515 9.7515 10.0832 10.0832 10.4603 10.4603 10.4724 10.4724 10.5474 10.5474 11.3671 11.3671 13.5326 13.5326 k = 0.1867 0.3233-0.0000 ( 3051 PWs) bands (ev): -11.1254 -11.1254 -11.1075 -11.1075 -11.0717 -11.0717 -11.0657 -11.0657 -10.0996 -10.0996 -10.0852 -10.0852 -10.0707 -10.0707 -10.0468 -10.0468 -10.0196 -10.0196 -10.0160 -10.0160 1.6968 1.6968 4.5900 4.5900 7.3860 7.3860 7.7771 7.7771 8.0569 8.0569 8.2032 8.2032 8.8881 8.8881 9.1931 9.1931 9.4309 9.4309 9.7730 9.7730 10.0728 10.0728 10.4654 10.4654 10.4971 10.4971 10.5657 10.5657 11.4032 11.4032 13.5864 13.5864 k = 0.1800 0.3118-0.0000 ( 3055 PWs) bands (ev): -11.1259 -11.1259 -11.1071 -11.1071 -11.0721 -11.0721 -11.0657 -11.0657 -10.0996 -10.0996 -10.0853 -10.0853 -10.0708 -10.0708 -10.0465 -10.0465 -10.0200 -10.0200 -10.0165 -10.0165 1.6196 1.6196 4.6321 4.6321 7.4768 7.4768 7.7081 7.7081 8.0805 8.0805 8.2156 8.2156 8.8929 8.8929 9.1433 9.1433 9.4524 9.4524 9.8001 9.8001 10.0624 10.0624 10.4666 10.4666 10.5124 10.5124 10.6001 10.6001 11.4389 11.4389 13.6334 13.6334 k = 0.1733 0.3002-0.0000 ( 3055 PWs) bands (ev): -11.1263 -11.1263 -11.1066 -11.1066 -11.0726 -11.0726 -11.0656 -11.0656 -10.0997 -10.0997 -10.0855 -10.0855 -10.0710 -10.0710 -10.0461 -10.0461 -10.0204 -10.0204 -10.0170 -10.0170 1.5446 1.5446 4.6726 4.6726 7.5444 7.5444 7.6574 7.6574 8.1060 8.1060 8.2275 8.2275 8.8989 8.8989 9.0975 9.0975 9.4744 9.4744 9.8336 9.8336 10.0522 10.0522 10.4675 10.4675 10.5194 10.5194 10.6463 10.6463 11.4740 11.4740 13.6739 13.6739 k = 0.1667 0.2887-0.0000 ( 3059 PWs) bands (ev): -11.1267 -11.1267 -11.1062 -11.1062 -11.0730 -11.0730 -11.0656 -11.0656 -10.0998 -10.0998 -10.0857 -10.0857 -10.0712 -10.0712 -10.0457 -10.0457 -10.0209 -10.0209 -10.0175 -10.0175 1.4721 1.4721 4.7115 4.7115 7.5248 7.5248 7.6897 7.6897 8.1311 8.1311 8.2387 8.2387 8.9061 8.9061 9.0559 9.0559 9.4967 9.4967 9.8742 9.8742 10.0422 10.0422 10.4684 10.4684 10.5230 10.5230 10.6989 10.6989 11.5081 11.5081 13.7080 13.7081 k = 0.1600 0.2771-0.0000 ( 3059 PWs) bands (ev): -11.1272 -11.1272 -11.1058 -11.1058 -11.0735 -11.0735 -11.0655 -11.0655 -10.0999 -10.0999 -10.0858 -10.0858 -10.0714 -10.0714 -10.0452 -10.0452 -10.0214 -10.0214 -10.0180 -10.0180 1.4019 1.4019 4.7488 4.7488 7.4609 7.4609 7.7618 7.7618 8.1545 8.1545 8.2498 8.2498 8.9142 8.9142 9.0196 9.0196 9.5192 9.5192 9.9225 9.9225 10.0324 10.0324 10.4694 10.4694 10.5254 10.5254 10.7562 10.7562 11.5413 11.5413 13.7360 13.7360 k = 0.1533 0.2656-0.0000 ( 3059 PWs) bands (ev): -11.1276 -11.1276 -11.1054 -11.1054 -11.0740 -11.0740 -11.0655 -11.0655 -10.1000 -10.1000 -10.0860 -10.0860 -10.0716 -10.0716 -10.0447 -10.0447 -10.0218 -10.0218 -10.0185 -10.0185 1.3342 1.3342 4.7844 4.7844 7.3924 7.3924 7.8339 7.8339 8.1749 8.1749 8.2607 8.2607 8.9225 8.9225 8.9898 8.9898 9.5419 9.5419 9.9791 9.9791 10.0229 10.0229 10.4704 10.4704 10.5271 10.5271 10.8175 10.8175 11.5732 11.5732 13.7580 13.7580 k = 0.1467 0.2540-0.0000 ( 3059 PWs) bands (ev): -11.1280 -11.1280 -11.1050 -11.1050 -11.0744 -11.0744 -11.0655 -11.0655 -10.1001 -10.1001 -10.0862 -10.0862 -10.0718 -10.0718 -10.0442 -10.0442 -10.0223 -10.0223 -10.0190 -10.0190 1.2692 1.2692 4.8182 4.8182 7.3242 7.3242 7.9003 7.9003 8.1918 8.1918 8.2715 8.2715 8.9280 8.9280 8.9699 8.9699 9.5646 9.5646 10.0136 10.0136 10.0445 10.0445 10.4716 10.4716 10.5285 10.5285 10.8826 10.8826 11.6038 11.6038 13.7746 13.7746 k = 0.1400 0.2425-0.0000 ( 3055 PWs) bands (ev): -11.1284 -11.1284 -11.1046 -11.1046 -11.0749 -11.0749 -11.0654 -11.0654 -10.1003 -10.1003 -10.0864 -10.0864 -10.0721 -10.0721 -10.0436 -10.0436 -10.0228 -10.0228 -10.0196 -10.0196 1.2067 1.2067 4.8504 4.8504 7.2578 7.2578 7.9595 7.9595 8.2051 8.2051 8.2817 8.2817 8.9243 8.9243 8.9664 8.9664 9.5872 9.5872 10.0047 10.0047 10.1189 10.1189 10.4730 10.4730 10.5298 10.5298 10.9515 10.9515 11.6331 11.6331 13.7861 13.7861 k = 0.1333 0.2309-0.0000 ( 3043 PWs) bands (ev): -11.1289 -11.1289 -11.1042 -11.1042 -11.0754 -11.0754 -11.0654 -11.0654 -10.1004 -10.1004 -10.0865 -10.0865 -10.0723 -10.0723 -10.0430 -10.0430 -10.0233 -10.0233 -10.0201 -10.0201 1.1469 1.1469 4.8808 4.8808 7.1935 7.1935 8.0107 8.0107 8.2155 8.2155 8.2905 8.2905 8.9160 8.9160 8.9752 8.9752 9.6097 9.6097 9.9964 9.9964 10.2021 10.2021 10.4749 10.4749 10.5311 10.5311 11.0240 11.0240 11.6609 11.6609 13.7933 13.7933 k = 0.1267 0.2194-0.0000 ( 3047 PWs) bands (ev): -11.1293 -11.1293 -11.1038 -11.1038 -11.0758 -11.0758 -11.0653 -11.0653 -10.1006 -10.1006 -10.0867 -10.0867 -10.0725 -10.0725 -10.0424 -10.0424 -10.0238 -10.0238 -10.0207 -10.0207 1.0898 1.0898 4.9094 4.9094 7.1316 7.1316 8.0534 8.0534 8.2240 8.2240 8.2969 8.2969 8.9107 8.9107 8.9879 8.9879 9.6317 9.6317 9.9881 9.9881 10.2930 10.2930 10.4779 10.4779 10.5327 10.5327 11.1002 11.1002 11.6873 11.6873 13.7968 13.7968 k = 0.1200 0.2078-0.0000 ( 3051 PWs) bands (ev): -11.1296 -11.1296 -11.1034 -11.1034 -11.0763 -11.0763 -11.0653 -11.0653 -10.1007 -10.1007 -10.0868 -10.0868 -10.0727 -10.0727 -10.0418 -10.0418 -10.0243 -10.0243 -10.0212 -10.0212 1.0354 1.0354 4.9364 4.9364 7.0723 7.0723 8.0872 8.0872 8.2319 8.2319 8.3005 8.3005 8.9108 8.9108 9.0018 9.0018 9.6533 9.6533 9.9803 9.9803 10.3870 10.3870 10.4854 10.4854 10.5354 10.5354 11.1800 11.1800 11.7123 11.7123 13.7974 13.7974 k = 0.1133 0.1963-0.0000 ( 3053 PWs) bands (ev): -11.1300 -11.1300 -11.1031 -11.1031 -11.0767 -11.0767 -11.0652 -11.0652 -10.1009 -10.1009 -10.0870 -10.0870 -10.0729 -10.0729 -10.0412 -10.0412 -10.0247 -10.0247 -10.0218 -10.0218 0.9839 0.9839 4.9616 4.9616 7.0158 7.0158 8.1119 8.1119 8.2404 8.2404 8.3015 8.3015 8.9162 8.9162 9.0161 9.0161 9.6744 9.6744 9.9728 9.9728 10.4520 10.4520 10.5156 10.5156 10.5528 10.5528 11.2633 11.2633 11.7357 11.7357 13.7959 13.7959 k = 0.1067 0.1848-0.0000 ( 3053 PWs) bands (ev): -11.1304 -11.1304 -11.1027 -11.1027 -11.0771 -11.0771 -11.0652 -11.0652 -10.1011 -10.1011 -10.0871 -10.0871 -10.0731 -10.0731 -10.0406 -10.0406 -10.0252 -10.0252 -10.0223 -10.0223 0.9351 0.9351 4.9851 4.9851 6.9622 6.9622 8.1280 8.1280 8.2492 8.2492 8.3008 8.3008 8.9262 8.9262 9.0302 9.0302 9.6947 9.6947 9.9660 9.9660 10.4662 10.4662 10.5292 10.5292 10.6450 10.6450 11.3498 11.3498 11.7578 11.7578 13.7932 13.7932 k = 0.1000 0.1732-0.0000 ( 3045 PWs) bands (ev): -11.1307 -11.1307 -11.1024 -11.1024 -11.0775 -11.0775 -11.0652 -11.0652 -10.1013 -10.1013 -10.0872 -10.0872 -10.0733 -10.0733 -10.0400 -10.0400 -10.0256 -10.0256 -10.0228 -10.0228 0.8892 0.8892 5.0069 5.0069 6.9114 6.9114 8.1366 8.1366 8.2566 8.2566 8.3005 8.3005 8.9402 8.9402 9.0438 9.0438 9.7142 9.7142 9.9597 9.9597 10.4703 10.4703 10.5318 10.5318 10.7650 10.7650 11.4393 11.4393 11.7785 11.7785 13.7901 13.7901 k = 0.0933 0.1617-0.0000 ( 3043 PWs) bands (ev): -11.1311 -11.1311 -11.1021 -11.1021 -11.0779 -11.0779 -11.0651 -11.0651 -10.1015 -10.1015 -10.0873 -10.0873 -10.0735 -10.0735 -10.0395 -10.0395 -10.0261 -10.0261 -10.0233 -10.0233 0.8461 0.8461 5.0271 5.0271 6.8637 6.8637 8.1398 8.1398 8.2593 8.2593 8.3037 8.3037 8.9568 8.9568 9.0567 9.0567 9.7327 9.7327 9.9540 9.9540 10.4723 10.4723 10.5331 10.5331 10.8935 10.8935 11.5313 11.5313 11.7980 11.7980 13.7876 13.7876 k = 0.0867 0.1501-0.0000 ( 3045 PWs) bands (ev): -11.1314 -11.1314 -11.1018 -11.1018 -11.0783 -11.0783 -11.0651 -11.0651 -10.1017 -10.1017 -10.0874 -10.0874 -10.0736 -10.0736 -10.0389 -10.0389 -10.0265 -10.0265 -10.0238 -10.0238 0.8060 0.8060 5.0458 5.0458 6.8191 6.8191 8.1393 8.1393 8.2564 8.2564 8.3109 8.3109 8.9753 8.9753 9.0688 9.0688 9.7500 9.7500 9.9489 9.9489 10.4738 10.4738 10.5342 10.5342 11.0273 11.0273 11.6250 11.6250 11.8167 11.8167 13.7866 13.7866 k = 0.0800 0.1386-0.0000 ( 3049 PWs) bands (ev): -11.1317 -11.1317 -11.1015 -11.1015 -11.0787 -11.0787 -11.0651 -11.0651 -10.1019 -10.1019 -10.0875 -10.0875 -10.0738 -10.0738 -10.0384 -10.0384 -10.0268 -10.0268 -10.0243 -10.0243 0.7687 0.7687 5.0628 5.0628 6.7775 6.7775 8.1362 8.1362 8.2498 8.2498 8.3201 8.3201 8.9948 8.9948 9.0799 9.0799 9.7660 9.7660 9.9446 9.9446 10.4749 10.4749 10.5350 10.5350 11.1645 11.1645 11.7186 11.7186 11.8359 11.8359 13.7881 13.7881 k = 0.0733 0.1270-0.0000 ( 3049 PWs) bands (ev): -11.1320 -11.1320 -11.1013 -11.1013 -11.0790 -11.0790 -11.0651 -11.0651 -10.1021 -10.1021 -10.0876 -10.0876 -10.0739 -10.0739 -10.0379 -10.0379 -10.0272 -10.0272 -10.0247 -10.0247 0.7344 0.7344 5.0783 5.0783 6.7392 6.7392 8.1317 8.1317 8.2417 8.2417 8.3295 8.3295 9.0145 9.0145 9.0901 9.0901 9.7807 9.7807 9.9410 9.9410 10.4758 10.4758 10.5358 10.5358 11.3035 11.3035 11.8029 11.8029 11.8643 11.8643 13.7933 13.7933 k = 0.0667 0.1155-0.0000 ( 3053 PWs) bands (ev): -11.1322 -11.1322 -11.1010 -11.1010 -11.0793 -11.0793 -11.0650 -11.0650 -10.1023 -10.1023 -10.0877 -10.0877 -10.0740 -10.0740 -10.0374 -10.0374 -10.0275 -10.0275 -10.0251 -10.0251 0.7030 0.7030 5.0923 5.0923 6.7040 6.7040 8.1262 8.1262 8.2331 8.2331 8.3383 8.3383 9.0339 9.0339 9.0994 9.0994 9.7939 9.7939 9.9383 9.9383 10.4765 10.4765 10.5365 10.5365 11.4425 11.4425 11.8447 11.8447 11.9343 11.9343 13.8034 13.8034 k = 0.0600 0.1039-0.0000 ( 3049 PWs) bands (ev): -11.1325 -11.1325 -11.1008 -11.1008 -11.0796 -11.0796 -11.0650 -11.0650 -10.1024 -10.1024 -10.0877 -10.0877 -10.0741 -10.0741 -10.0370 -10.0370 -10.0278 -10.0278 -10.0255 -10.0255 0.6745 0.6745 5.1049 5.1049 6.6721 6.6721 8.1203 8.1203 8.2247 8.2247 8.3462 8.3462 9.0525 9.0525 9.1077 9.1077 9.8053 9.8053 9.9364 9.9364 10.4773 10.4773 10.5372 10.5372 11.5795 11.5795 11.8622 11.8622 12.0271 12.0271 13.8195 13.8195 k = 0.0533 0.0924-0.0000 ( 3049 PWs) bands (ev): -11.1327 -11.1327 -11.1006 -11.1006 -11.0798 -11.0798 -11.0650 -11.0650 -10.1026 -10.1026 -10.0878 -10.0878 -10.0742 -10.0742 -10.0366 -10.0366 -10.0281 -10.0281 -10.0259 -10.0259 0.6490 0.6490 5.1160 5.1160 6.6435 6.6435 8.1142 8.1142 8.2167 8.2167 8.3531 8.3531 9.0700 9.0700 9.1150 9.1150 9.8150 9.8150 9.9355 9.9355 10.4779 10.4779 10.5378 10.5378 11.7122 11.7122 11.8747 11.8747 12.1225 12.1225 13.8430 13.8430 k = 0.0467 0.0808-0.0000 ( 3049 PWs) bands (ev): -11.1329 -11.1329 -11.1005 -11.1005 -11.0801 -11.0801 -11.0650 -11.0650 -10.1028 -10.1028 -10.0878 -10.0878 -10.0743 -10.0743 -10.0362 -10.0362 -10.0283 -10.0283 -10.0262 -10.0262 0.6265 0.6265 5.1257 5.1257 6.6182 6.6182 8.1084 8.1084 8.2094 8.2094 8.3591 8.3591 9.0860 9.0860 9.1214 9.1214 9.8230 9.8230 9.9355 9.9355 10.4783 10.4783 10.5384 10.5384 11.8370 11.8370 11.8858 11.8858 12.2169 12.2169 13.8752 13.8752 k = 0.0400 0.0693-0.0000 ( 3051 PWs) bands (ev): -11.1330 -11.1330 -11.1003 -11.1003 -11.0803 -11.0803 -11.0649 -11.0649 -10.1029 -10.1029 -10.0879 -10.0879 -10.0744 -10.0744 -10.0359 -10.0359 -10.0285 -10.0285 -10.0265 -10.0265 0.6070 0.6070 5.1341 5.1341 6.5962 6.5962 8.1029 8.1029 8.2028 8.2028 8.3640 8.3640 9.1002 9.1002 9.1270 9.1270 9.8293 9.8293 9.9361 9.9361 10.4787 10.4787 10.5388 10.5388 11.8916 11.8916 11.9551 11.9551 12.3088 12.3088 13.9175 13.9175 k = 0.0333 0.0577-0.0000 ( 3053 PWs) bands (ev): -11.1332 -11.1332 -11.1002 -11.1002 -11.0804 -11.0804 -11.0649 -11.0649 -10.1030 -10.1030 -10.0879 -10.0879 -10.0744 -10.0744 -10.0357 -10.0357 -10.0286 -10.0286 -10.0268 -10.0268 0.5904 0.5904 5.1411 5.1411 6.5775 6.5775 8.0980 8.0980 8.1972 8.1972 8.3682 8.3682 9.1124 9.1124 9.1317 9.1317 9.8341 9.8341 9.9373 9.9373 10.4791 10.4791 10.5392 10.5392 11.8992 11.8992 12.0563 12.0563 12.3967 12.3967 13.9705 13.9705 k = 0.0267 0.0462-0.0000 ( 3053 PWs) bands (ev): -11.1333 -11.1333 -11.1001 -11.1001 -11.0806 -11.0806 -11.0649 -11.0649 -10.1031 -10.1031 -10.0879 -10.0879 -10.0745 -10.0745 -10.0355 -10.0355 -10.0288 -10.0288 -10.0270 -10.0270 0.5769 0.5769 5.1468 5.1468 6.5623 6.5623 8.0939 8.0939 8.1926 8.1926 8.3715 8.3715 9.1226 9.1226 9.1355 9.1355 9.8376 9.8376 9.9388 9.9388 10.4794 10.4794 10.5396 10.5396 11.9050 11.9050 12.1416 12.1416 12.4782 12.4782 14.0347 14.0347 k = 0.0200 0.0346-0.0000 ( 3049 PWs) bands (ev): -11.1334 -11.1334 -11.1000 -11.1000 -11.0807 -11.0807 -11.0649 -11.0649 -10.1032 -10.1032 -10.0879 -10.0879 -10.0745 -10.0745 -10.0353 -10.0353 -10.0289 -10.0289 -10.0271 -10.0271 0.5664 0.5664 5.1512 5.1512 6.5504 6.5504 8.0905 8.0905 8.1889 8.1889 8.3741 8.3741 9.1306 9.1306 9.1386 9.1386 9.8401 9.8401 9.9403 9.9403 10.4796 10.4796 10.5399 10.5399 11.9094 11.9094 12.2084 12.2084 12.5496 12.5496 14.1087 14.1087 k = 0.0133 0.0231-0.0000 ( 3053 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1032 -10.1032 -10.0879 -10.0879 -10.0746 -10.0746 -10.0352 -10.0352 -10.0289 -10.0289 -10.0272 -10.0272 0.5588 0.5588 5.1544 5.1544 6.5419 6.5419 8.0881 8.0881 8.1863 8.1863 8.3759 8.3759 9.1360 9.1360 9.1411 9.1411 9.8416 9.8416 9.9414 9.9414 10.4798 10.4798 10.5402 10.5402 11.9125 11.9125 12.2561 12.2561 12.6063 12.6063 14.1874 14.1874 k = 0.0067 0.0115-0.0000 ( 3051 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1033 -10.1033 -10.0879 -10.0879 -10.0746 -10.0746 -10.0351 -10.0351 -10.0290 -10.0290 -10.0273 -10.0273 0.5543 0.5543 5.1563 5.1563 6.5368 6.5368 8.0866 8.0866 8.1847 8.1847 8.3769 8.3769 9.1389 9.1389 9.1430 9.1430 9.8424 9.8424 9.9422 9.9422 10.4800 10.4800 10.5403 10.5403 11.9143 11.9143 12.2846 12.2846 12.6430 12.6430 14.2534 14.2534 k = 0.0000 0.0000 0.0000 ( 3051 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1033 -10.1033 -10.0879 -10.0879 -10.0746 -10.0746 -10.0351 -10.0351 -10.0290 -10.0290 -10.0273 -10.0273 0.5528 0.5528 5.1569 5.1569 6.5351 6.5351 8.0861 8.0861 8.1842 8.1842 8.3773 8.3773 9.1397 9.1397 9.1437 9.1437 9.8427 9.8427 9.9425 9.9425 10.4800 10.4800 10.5404 10.5404 11.9149 11.9149 12.2940 12.2940 12.6557 12.6557 14.2778 14.2778 k = 0.0000 0.0000 0.0000 ( 3051 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1033 -10.1033 -10.0879 -10.0879 -10.0746 -10.0746 -10.0351 -10.0351 -10.0290 -10.0290 -10.0273 -10.0273 0.5528 0.5528 5.1569 5.1569 6.5351 6.5351 8.0861 8.0861 8.1842 8.1842 8.3773 8.3773 9.1397 9.1397 9.1437 9.1437 9.8427 9.8427 9.9425 9.9425 10.4800 10.4800 10.5404 10.5404 11.9149 11.9149 12.2940 12.2940 12.6557 12.6557 14.2778 14.2778 k = 0.0000 0.0000 0.0134 ( 3051 PWs) bands (ev): -11.1335 -11.1335 -11.0999 -11.0999 -11.0808 -11.0808 -11.0649 -11.0649 -10.1032 -10.1032 -10.0880 -10.0880 -10.0746 -10.0746 -10.0352 -10.0352 -10.0290 -10.0290 -10.0273 -10.0273 0.5544 0.5544 5.1395 5.1395 6.5534 6.5534 8.0871 8.0871 8.1851 8.1851 8.3785 8.3785 9.1404 9.1404 9.1444 9.1444 9.8415 9.8415 9.9409 9.9409 10.4776 10.4776 10.5380 10.5380 11.9134 11.9134 12.2978 12.2978 12.6592 12.6592 14.2777 14.2777 k = 0.0000 0.0000 0.0268 ( 3057 PWs) bands (ev): -11.1334 -11.1334 -11.1000 -11.1000 -11.0808 -11.0808 -11.0649 -11.0649 -10.1031 -10.1031 -10.0880 -10.0880 -10.0747 -10.0747 -10.0353 -10.0353 -10.0289 -10.0289 -10.0272 -10.0272 0.5590 0.5590 5.0897 5.0897 6.6058 6.6058 8.0900 8.0900 8.1878 8.1878 8.3821 8.3821 9.1424 9.1424 9.1465 9.1465 9.8378 9.8378 9.9361 9.9361 10.4703 10.4703 10.5309 10.5309 11.9087 11.9087 12.3088 12.3088 12.6695 12.6695 14.2775 14.2775 k = 0.0000 0.0000 0.0402 ( 3063 PWs) bands (ev): -11.1333 -11.1333 -11.1001 -11.1001 -11.0808 -11.0808 -11.0650 -11.0650 -10.1029 -10.1029 -10.0880 -10.0880 -10.0749 -10.0749 -10.0355 -10.0355 -10.0288 -10.0288 -10.0271 -10.0271 0.5666 0.5666 5.0138 5.0138 6.6859 6.6859 8.0948 8.0948 8.1922 8.1922 8.3881 8.3881 9.1456 9.1456 9.1498 9.1498 9.8316 9.8316 9.9280 9.9280 10.4586 10.4586 10.5195 10.5195 11.9009 11.9009 12.3270 12.3270 12.6865 12.6865 14.2772 14.2772 k = 0.0000 0.0000 0.0536 ( 3063 PWs) bands (ev): -11.1331 -11.1331 -11.1002 -11.1002 -11.0807 -11.0807 -11.0651 -11.0651 -10.1025 -10.1025 -10.0881 -10.0881 -10.0751 -10.0751 -10.0358 -10.0358 -10.0287 -10.0287 -10.0269 -10.0269 0.5774 0.5774 4.9189 4.9189 6.7867 6.7867 8.1016 8.1016 8.1985 8.1985 8.3965 8.3965 9.1503 9.1503 9.1547 9.1547 9.8229 9.8229 9.9168 9.9168 10.4428 10.4428 10.5039 10.5039 11.8905 11.8905 12.3519 12.3519 12.7100 12.7100 14.2767 14.2767 k = 0.0000 0.0000 0.0670 ( 3064 PWs) bands (ev): -11.1329 -11.1329 -11.1004 -11.1004 -11.0806 -11.0806 -11.0652 -11.0652 -10.1021 -10.1021 -10.0882 -10.0882 -10.0754 -10.0754 -10.0363 -10.0363 -10.0285 -10.0285 -10.0267 -10.0267 0.5912 0.5912 4.8108 4.8108 6.9021 6.9021 8.1104 8.1104 8.2066 8.2066 8.4071 8.4071 9.1564 9.1564 9.1609 9.1609 9.8117 9.8117 9.9022 9.9022 10.4233 10.4233 10.4844 10.4844 11.8776 11.8776 12.3830 12.3830 12.7395 12.7395 14.2760 14.2760 k = 0.0000 0.0000 0.0804 ( 3064 PWs) bands (ev): -11.1326 -11.1326 -11.1006 -11.1006 -11.0805 -11.0805 -11.0653 -11.0653 -10.1016 -10.1016 -10.0882 -10.0882 -10.0758 -10.0758 -10.0368 -10.0368 -10.0283 -10.0283 -10.0264 -10.0264 0.6081 0.6081 4.6939 4.6939 7.0274 7.0274 8.1211 8.1211 8.2165 8.2165 8.4200 8.4200 9.1637 9.1637 9.1685 9.1685 9.7981 9.7981 9.8844 9.8844 10.4008 10.4008 10.4615 10.4615 11.8626 11.8626 12.4199 12.4199 12.7746 12.7746 14.2752 14.2752 k = 0.0000 0.0000 0.0938 ( 3064 PWs) bands (ev): -11.1323 -11.1323 -11.1009 -11.1009 -11.0804 -11.0804 -11.0655 -11.0655 -10.1010 -10.1010 -10.0883 -10.0883 -10.0762 -10.0762 -10.0373 -10.0373 -10.0280 -10.0280 -10.0261 -10.0261 0.6281 0.6281 4.5713 4.5713 7.1593 7.1593 8.1339 8.1339 8.2281 8.2281 8.4352 8.4352 9.1723 9.1723 9.1774 9.1774 9.7819 9.7819 9.8633 9.8633 10.3758 10.3758 10.4357 10.4357 11.8458 11.8458 12.4619 12.4619 12.8149 12.8149 14.2740 14.2740 k = 0.0000 0.0000 0.1072 ( 3064 PWs) bands (ev): -11.1320 -11.1320 -11.1012 -11.1012 -11.0803 -11.0803 -11.0657 -11.0657 -10.1003 -10.1003 -10.0885 -10.0885 -10.0767 -10.0767 -10.0380 -10.0380 -10.0277 -10.0277 -10.0258 -10.0258 0.6511 0.6511 4.4451 4.4451 7.2954 7.2954 8.1487 8.1487 8.2414 8.2414 8.4526 8.4526 9.1822 9.1822 9.1876 9.1876 9.7633 9.7633 9.8389 9.8389 10.3489 10.3489 10.4074 10.4074 11.8279 11.8279 12.5084 12.5084 12.8599 12.8599 14.2725 14.2725 k = 0.0000 0.0000 0.1206 ( 3076 PWs) bands (ev): -11.1316 -11.1316 -11.1016 -11.1016 -11.0801 -11.0801 -11.0659 -11.0659 -10.0995 -10.0995 -10.0886 -10.0886 -10.0772 -10.0772 -10.0388 -10.0388 -10.0274 -10.0274 -10.0254 -10.0254 0.6772 0.6772 4.3168 4.3168 7.4336 7.4336 8.1656 8.1656 8.2565 8.2565 8.4720 8.4720 9.1933 9.1933 9.1992 9.1992 9.7422 9.7422 9.8112 9.8112 10.3203 10.3203 10.3769 10.3769 11.8094 11.8094 12.5588 12.5588 12.9091 12.9091 14.2706 14.2706 k = 0.0000 0.0000 0.1340 ( 3076 PWs) bands (ev): -11.1311 -11.1311 -11.1020 -11.1020 -11.0799 -11.0799 -11.0661 -11.0661 -10.0986 -10.0986 -10.0887 -10.0887 -10.0777 -10.0777 -10.0396 -10.0396 -10.0271 -10.0271 -10.0250 -10.0250 0.7063 0.7063 4.1876 4.1876 7.5724 7.5724 8.1848 8.1848 8.2733 8.2733 8.4936 8.4936 9.2057 9.2057 9.2120 9.2120 9.7188 9.7188 9.7804 9.7804 10.2909 10.2909 10.3450 10.3450 11.7909 11.7909 12.6127 12.6127 12.9620 12.9620 14.2683 14.2683 k = 0.0000 0.0000 0.1474 ( 3082 PWs) bands (ev): -11.1306 -11.1306 -11.1024 -11.1024 -11.0797 -11.0797 -11.0664 -11.0664 -10.0977 -10.0977 -10.0888 -10.0888 -10.0783 -10.0783 -10.0405 -10.0405 -10.0267 -10.0267 -10.0246 -10.0246 0.7385 0.7385 4.0581 4.0581 7.7101 7.7101 8.2065 8.2065 8.2918 8.2918 8.5171 8.5171 9.2192 9.2192 9.2262 9.2262 9.6929 9.6929 9.7467 9.7467 10.2609 10.2609 10.3119 10.3119 11.7728 11.7728 12.6694 12.6694 13.0182 13.0182 14.2653 14.2653 k = 0.0000 0.0000 0.1608 ( 3082 PWs) bands (ev): -11.1301 -11.1301 -11.1029 -11.1029 -11.0795 -11.0795 -11.0666 -11.0666 -10.0967 -10.0967 -10.0889 -10.0889 -10.0789 -10.0789 -10.0415 -10.0415 -10.0263 -10.0263 -10.0243 -10.0243 0.7737 0.7737 3.9289 3.9289 7.8450 7.8450 8.2314 8.2314 8.3120 8.3120 8.5425 8.5425 9.2338 9.2338 9.2415 9.2415 9.6648 9.6648 9.7101 9.7101 10.2304 10.2304 10.2779 10.2779 11.7564 11.7564 12.7284 12.7284 13.0772 13.0772 14.2616 14.2616 k = 0.0000 0.0000 0.1742 ( 3082 PWs) bands (ev): -11.1296 -11.1296 -11.1034 -11.1034 -11.0793 -11.0793 -11.0669 -11.0669 -10.0956 -10.0956 -10.0890 -10.0890 -10.0795 -10.0795 -10.0426 -10.0426 -10.0259 -10.0259 -10.0239 -10.0239 0.8120 0.8120 3.8006 3.8006 7.9747 7.9747 8.2607 8.2607 8.3338 8.3338 8.5696 8.5696 9.2495 9.2495 9.2581 9.2581 9.6346 9.6346 9.6709 9.6709 10.1998 10.1998 10.2433 10.2433 11.7424 11.7424 12.7893 12.7893 13.1386 13.1386 14.2572 14.2572 k = 0.0000 0.0000 0.1876 ( 3082 PWs) bands (ev): -11.1290 -11.1290 -11.1039 -11.1039 -11.0791 -11.0791 -11.0672 -11.0672 -10.0944 -10.0944 -10.0892 -10.0892 -10.0801 -10.0801 -10.0437 -10.0437 -10.0255 -10.0255 -10.0235 -10.0235 0.8533 0.8533 3.6733 3.6733 8.0945 8.0945 8.2980 8.2980 8.3573 8.3573 8.5984 8.5984 9.2661 9.2661 9.2759 9.2759 9.6025 9.6025 9.6294 9.6294 10.1691 10.1691 10.2084 10.2084 11.7315 11.7315 12.8516 12.8516 13.2021 13.2021 14.2517 14.2517 k = 0.0000 0.0000 0.2010 ( 3052 PWs) bands (ev): -11.1283 -11.1283 -11.1045 -11.1045 -11.0788 -11.0788 -11.0675 -11.0675 -10.0932 -10.0932 -10.0893 -10.0893 -10.0808 -10.0808 -10.0450 -10.0450 -10.0251 -10.0251 -10.0231 -10.0231 0.8976 0.8976 3.5475 3.5475 8.1948 8.1948 8.3519 8.3519 8.3823 8.3823 8.6291 8.6291 9.2836 9.2836 9.2949 9.2949 9.5687 9.5687 9.5859 9.5859 10.1386 10.1386 10.1737 10.1737 11.7248 11.7248 12.9147 12.9147 13.2672 13.2672 14.2452 14.2452 k = 0.0000 0.0000 0.2144 ( 3052 PWs) bands (ev): -11.1277 -11.1277 -11.1051 -11.1051 -11.0785 -11.0785 -11.0679 -11.0679 -10.0918 -10.0918 -10.0894 -10.0894 -10.0814 -10.0814 -10.0462 -10.0462 -10.0247 -10.0247 -10.0227 -10.0227 0.9449 0.9449 3.4232 3.4232 8.2654 8.2654 8.4089 8.4089 8.4313 8.4313 8.6607 8.6607 9.3015 9.3015 9.3150 9.3150 9.5336 9.5336 9.5406 9.5406 10.1079 10.1079 10.1387 10.1387 11.7233 11.7233 12.9781 12.9781 13.3335 13.3335 14.2374 14.2374 k = 0.0000 0.0000 0.2278 ( 3058 PWs) bands (ev): -11.1270 -11.1270 -11.1058 -11.1058 -11.0783 -11.0783 -11.0682 -11.0682 -10.0905 -10.0905 -10.0894 -10.0894 -10.0820 -10.0820 -10.0476 -10.0476 -10.0243 -10.0243 -10.0223 -10.0223 0.9953 0.9953 3.3008 3.3008 8.3141 8.3141 8.4370 8.4370 8.5271 8.5271 8.6934 8.6934 9.3192 9.3192 9.3360 9.3360 9.4938 9.4938 9.4979 9.4979 10.0772 10.0772 10.1038 10.1038 11.7280 11.7280 13.0412 13.0412 13.4007 13.4007 14.2282 14.2282 k = 0.0000 0.0000 0.2412 ( 3052 PWs) bands (ev): -11.1262 -11.1262 -11.1064 -11.1064 -11.0780 -11.0780 -11.0686 -11.0686 -10.0895 -10.0895 -10.0890 -10.0890 -10.0826 -10.0826 -10.0490 -10.0490 -10.0239 -10.0239 -10.0220 -10.0220 1.0486 1.0486 3.1802 3.1802 8.3542 8.3542 8.4666 8.4666 8.6250 8.6250 8.7271 8.7271 9.3353 9.3353 9.3583 9.3583 9.4458 9.4458 9.4636 9.4636 10.0465 10.0465 10.0691 10.0691 11.7402 11.7402 13.1033 13.1033 13.4684 13.4684 14.2173 14.2173 k = 0.0000 0.0000 0.2546 ( 3052 PWs) bands (ev): -11.1255 -11.1255 -11.1071 -11.1071 -11.0776 -11.0776 -11.0689 -11.0689 -10.0895 -10.0895 -10.0876 -10.0876 -10.0832 -10.0832 -10.0504 -10.0504 -10.0235 -10.0235 -10.0217 -10.0217 1.1049 1.1049 3.0618 3.0618 8.3918 8.3918 8.4976 8.4976 8.7179 8.7179 8.7616 8.7616 9.3441 9.3441 9.3815 9.3815 9.3968 9.3968 9.4361 9.4361 10.0159 10.0159 10.0346 10.0346 11.7608 11.7608 13.1631 13.1631 13.5363 13.5363 14.2046 14.2046 k = 0.0000 0.0000 0.2680 ( 3052 PWs) bands (ev): -11.1247 -11.1247 -11.1079 -11.1079 -11.0773 -11.0773 -11.0693 -11.0693 -10.0896 -10.0896 -10.0860 -10.0860 -10.0838 -10.0838 -10.0520 -10.0520 -10.0231 -10.0231 -10.0214 -10.0214 1.1642 1.1642 2.9455 2.9455 8.4289 8.4289 8.5300 8.5300 8.7965 8.7965 8.8026 8.8026 9.3340 9.3340 9.3471 9.3471 9.4057 9.4057 9.4274 9.4274 9.9852 9.9852 10.0005 10.0005 11.7907 11.7907 13.2192 13.2192 13.6041 13.6041 14.1045 14.1045 k = 0.0000 0.0000 0.2814 ( 3040 PWs) bands (ev): -11.1239 -11.1239 -11.1086 -11.1086 -11.0770 -11.0770 -11.0697 -11.0697 -10.0895 -10.0895 -10.0844 -10.0844 -10.0844 -10.0844 -10.0535 -10.0535 -10.0227 -10.0227 -10.0212 -10.0212 1.2265 1.2265 2.8315 2.8315 8.4666 8.4666 8.5637 8.5637 8.8317 8.8317 8.8775 8.8775 9.2971 9.2971 9.3043 9.3043 9.4307 9.4307 9.4384 9.4384 9.9545 9.9545 9.9666 9.9666 11.8306 11.8306 13.2683 13.2683 13.6713 13.6713 13.9798 13.9798 k = 0.0000 0.0000 0.2948 ( 3046 PWs) bands (ev): -11.1231 -11.1231 -11.1094 -11.1094 -11.0766 -11.0766 -11.0701 -11.0701 -10.0895 -10.0895 -10.0849 -10.0849 -10.0828 -10.0828 -10.0551 -10.0551 -10.0224 -10.0224 -10.0209 -10.0209 1.2917 1.2917 2.7198 2.7198 8.5050 8.5050 8.5987 8.5987 8.8668 8.8668 8.9416 8.9416 9.2466 9.2466 9.2659 9.2659 9.4565 9.4565 9.4581 9.4581 9.9239 9.9239 9.9331 9.9331 11.8810 11.8810 13.3045 13.3045 13.7376 13.7376 13.8667 13.8667 k = 0.0000 0.0000 0.3082 ( 3058 PWs) bands (ev): -11.1223 -11.1223 -11.1102 -11.1102 -11.0763 -11.0763 -11.0705 -11.0705 -10.0895 -10.0895 -10.0854 -10.0854 -10.0812 -10.0812 -10.0567 -10.0567 -10.0220 -10.0220 -10.0208 -10.0208 1.3599 1.3599 2.6105 2.6105 8.5445 8.5445 8.6349 8.6349 8.9011 8.9011 8.9946 8.9946 9.1960 9.1960 9.2242 9.2242 9.4813 9.4813 9.4829 9.4829 9.8931 9.8931 9.8997 9.8997 11.9422 11.9422 13.3160 13.3160 13.7772 13.7772 13.8026 13.8026 k = 0.0000 0.0000 0.3216 ( 3058 PWs) bands (ev): -11.1214 -11.1214 -11.1110 -11.1110 -11.0759 -11.0759 -11.0709 -11.0709 -10.0894 -10.0894 -10.0859 -10.0859 -10.0795 -10.0795 -10.0584 -10.0584 -10.0217 -10.0217 -10.0206 -10.0206 1.4310 1.4310 2.5037 2.5037 8.5850 8.5850 8.6723 8.6723 8.9348 8.9348 9.0365 9.0365 9.1455 9.1455 9.1811 9.1811 9.5065 9.5065 9.5100 9.5100 9.8624 9.8624 9.8668 9.8668 12.0140 12.0140 13.2864 13.2864 13.7275 13.7275 13.8661 13.8661 k = 0.0000 0.0000 0.3350 ( 3058 PWs) bands (ev): -11.1205 -11.1205 -11.1118 -11.1118 -11.0755 -11.0755 -11.0714 -11.0714 -10.0893 -10.0893 -10.0864 -10.0864 -10.0777 -10.0777 -10.0601 -10.0601 -10.0215 -10.0215 -10.0205 -10.0205 1.5049 1.5049 2.3994 2.3994 8.6266 8.6266 8.7108 8.7108 8.9670 8.9670 9.0677 9.0677 9.0952 9.0952 9.1372 9.1372 9.5329 9.5329 9.5375 9.5375 9.8318 9.8318 9.8342 9.8342 12.0960 12.0960 13.2125 13.2125 13.7212 13.7212 13.9276 13.9276 k = 0.0000 0.0000 0.3484 ( 3058 PWs) bands (ev): -11.1197 -11.1197 -11.1127 -11.1127 -11.0751 -11.0751 -11.0718 -11.0718 -10.0891 -10.0891 -10.0868 -10.0868 -10.0760 -10.0760 -10.0618 -10.0618 -10.0212 -10.0212 -10.0204 -10.0204 1.5818 1.5818 2.2978 2.2978 8.6694 8.6694 8.7504 8.7504 8.9971 8.9971 9.0457 9.0457 9.0887 9.0887 9.0929 9.0929 9.5603 9.5603 9.5654 9.5654 9.8013 9.8013 9.8020 9.8020 12.1874 12.1874 13.1097 13.1097 13.7431 13.7431 13.9868 13.9868 k = 0.0000 0.0000 0.3618 ( 3058 PWs) bands (ev): -11.1188 -11.1188 -11.1135 -11.1135 -11.0747 -11.0747 -11.0722 -11.0722 -10.0890 -10.0890 -10.0872 -10.0872 -10.0742 -10.0742 -10.0636 -10.0636 -10.0210 -10.0210 -10.0204 -10.0204 1.6615 1.6615 2.1987 2.1987 8.7132 8.7132 8.7909 8.7909 8.9944 8.9944 9.0269 9.0269 9.0486 9.0486 9.1003 9.1003 9.5885 9.5885 9.5938 9.5938 9.7701 9.7701 9.7709 9.7709 12.2872 12.2872 12.9930 12.9930 13.7784 13.7784 14.0171 14.0171 k = 0.0000 0.0000 0.3752 ( 3076 PWs) bands (ev): -11.1179 -11.1179 -11.1144 -11.1144 -11.0743 -11.0743 -11.0726 -11.0726 -10.0887 -10.0887 -10.0876 -10.0876 -10.0725 -10.0725 -10.0654 -10.0654 -10.0208 -10.0208 -10.0204 -10.0204 1.7441 1.7441 2.1023 2.1023 8.7580 8.7580 8.8322 8.8322 8.9461 8.9461 9.0044 9.0044 9.0510 9.0510 9.1033 9.1033 9.6173 9.6173 9.6224 9.6224 9.7386 9.7386 9.7406 9.7406 12.3944 12.3944 12.8709 12.8709 13.8190 13.8190 13.9815 13.9815 k = 0.0000 0.0000 0.3886 ( 3064 PWs) bands (ev): -11.1170 -11.1170 -11.1153 -11.1153 -11.0739 -11.0739 -11.0730 -11.0730 -10.0885 -10.0885 -10.0879 -10.0879 -10.0707 -10.0707 -10.0671 -10.0671 -10.0206 -10.0206 -10.0204 -10.0204 1.8295 1.8295 2.0086 2.0086 8.8038 8.8038 8.8744 8.8744 8.8980 8.8980 8.9607 8.9607 9.0720 9.0720 9.0991 9.0991 9.6469 9.6469 9.6516 9.6516 9.7076 9.7076 9.7107 9.7107 12.5079 12.5079 12.7478 12.7478 13.8613 13.8613 13.9433 13.9433 k = 0.0000 0.0000 0.4020 ( 3070 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0735 -11.0735 -11.0735 -11.0735 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9177 1.9177 1.9177 1.9177 8.8505 8.8505 8.8505 8.8505 8.9172 8.9172 8.9172 8.9172 9.0883 9.0883 9.0883 9.0883 9.6770 9.6770 9.6770 9.6770 9.6810 9.6810 9.6810 9.6810 12.6261 12.6261 12.6261 12.6261 13.9030 13.9030 13.9030 13.9030 k = 0.0000 0.0000 0.4020 ( 3070 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0735 -11.0735 -11.0735 -11.0735 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9177 1.9177 1.9177 1.9177 8.8505 8.8505 8.8505 8.8505 8.9172 8.9172 8.9172 8.9172 9.0883 9.0883 9.0883 9.0883 9.6770 9.6770 9.6770 9.6770 9.6810 9.6810 9.6810 9.6810 12.6261 12.6261 12.6261 12.6261 13.9030 13.9030 13.9030 13.9030 k = 0.0114 0.0066 0.4020 ( 3074 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0735 -11.0735 -11.0735 -11.0735 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9190 1.9190 1.9190 1.9190 8.8486 8.8486 8.8486 8.8486 8.9154 8.9154 8.9154 8.9154 9.0892 9.0892 9.0892 9.0892 9.6763 9.6763 9.6763 9.6763 9.6817 9.6817 9.6817 9.6817 12.6253 12.6253 12.6253 12.6253 13.8966 13.8966 13.8966 13.8966 k = 0.0227 0.0131 0.4020 ( 3078 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0734 -11.0734 -11.0734 -11.0734 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9230 1.9230 1.9230 1.9230 8.8425 8.8425 8.8425 8.8425 8.9106 8.9106 8.9106 8.9106 9.0918 9.0918 9.0918 9.0918 9.6749 9.6749 9.6749 9.6749 9.6835 9.6835 9.6835 9.6835 12.6226 12.6226 12.6226 12.6226 13.8773 13.8773 13.8773 13.8773 k = 0.0341 0.0197 0.4020 ( 3078 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0734 -11.0734 -11.0734 -11.0734 -10.0882 -10.0882 -10.0882 -10.0882 -10.0688 -10.0688 -10.0688 -10.0688 -10.0205 -10.0205 -10.0205 -10.0205 1.9296 1.9296 1.9296 1.9296 8.8314 8.8314 8.8314 8.8314 8.9043 8.9043 8.9043 8.9043 9.0956 9.0956 9.0956 9.0956 9.6734 9.6734 9.6734 9.6734 9.6856 9.6856 9.6856 9.6856 12.6178 12.6178 12.6178 12.6178 13.8458 13.8458 13.8458 13.8458 k = 0.0455 0.0262 0.4020 ( 3074 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0733 -11.0733 -11.0733 -11.0733 -10.0882 -10.0882 -10.0882 -10.0882 -10.0688 -10.0688 -10.0688 -10.0688 -10.0204 -10.0204 -10.0204 -10.0204 1.9389 1.9389 1.9389 1.9389 8.8141 8.8141 8.8141 8.8141 8.8980 8.8980 8.8980 8.8980 9.1002 9.1002 9.1002 9.1002 9.6718 9.6718 9.6718 9.6718 9.6881 9.6881 9.6881 9.6881 12.6100 12.6100 12.6100 12.6100 13.8030 13.8030 13.8030 13.8030 k = 0.0568 0.0328 0.4020 ( 3074 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0732 -11.0732 -11.0732 -11.0732 -10.0882 -10.0882 -10.0882 -10.0882 -10.0687 -10.0687 -10.0687 -10.0687 -10.0203 -10.0203 -10.0203 -10.0203 1.9508 1.9508 1.9508 1.9508 8.7903 8.7903 8.7903 8.7903 8.8924 8.8924 8.8924 8.8924 9.1052 9.1052 9.1052 9.1052 9.6701 9.6701 9.6701 9.6701 9.6909 9.6909 9.6909 9.6909 12.5983 12.5983 12.5983 12.5983 13.7506 13.7506 13.7506 13.7506 k = 0.0682 0.0394 0.4020 ( 3076 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0731 -11.0731 -11.0731 -11.0731 -10.0883 -10.0883 -10.0883 -10.0883 -10.0686 -10.0686 -10.0686 -10.0686 -10.0203 -10.0203 -10.0203 -10.0203 1.9653 1.9653 1.9653 1.9653 8.7605 8.7605 8.7605 8.7605 8.8878 8.8878 8.8878 8.8878 9.1103 9.1103 9.1103 9.1103 9.6683 9.6683 9.6683 9.6683 9.6940 9.6940 9.6940 9.6940 12.5813 12.5813 12.5813 12.5813 13.6912 13.6912 13.6912 13.6912 k = 0.0795 0.0459 0.4020 ( 3080 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0730 -11.0730 -11.0730 -11.0730 -10.0883 -10.0883 -10.0883 -10.0883 -10.0685 -10.0685 -10.0685 -10.0685 -10.0202 -10.0202 -10.0202 -10.0202 1.9825 1.9825 1.9825 1.9825 8.7251 8.7251 8.7251 8.7251 8.8837 8.8837 8.8837 8.8837 9.1153 9.1153 9.1153 9.1153 9.6664 9.6664 9.6664 9.6664 9.6975 9.6975 9.6975 9.6975 12.5575 12.5575 12.5575 12.5575 13.6280 13.6280 13.6280 13.6280 k = 0.0909 0.0525 0.4020 ( 3080 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0728 -11.0728 -11.0728 -11.0728 -10.0883 -10.0883 -10.0883 -10.0883 -10.0684 -10.0684 -10.0684 -10.0684 -10.0201 -10.0201 -10.0201 -10.0201 2.0022 2.0022 2.0022 2.0022 8.6847 8.6847 8.6847 8.6847 8.8798 8.8798 8.8798 8.8798 9.1201 9.1201 9.1201 9.1201 9.6644 9.6644 9.6644 9.6644 9.7014 9.7014 9.7014 9.7014 12.5250 12.5250 12.5250 12.5250 13.5646 13.5646 13.5646 13.5646 k = 0.1023 0.0590 0.4020 ( 3084 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0727 -11.0727 -11.0727 -11.0727 -10.0883 -10.0883 -10.0883 -10.0883 -10.0683 -10.0683 -10.0683 -10.0683 -10.0200 -10.0200 -10.0200 -10.0200 2.0245 2.0245 2.0245 2.0245 8.6397 8.6397 8.6397 8.6397 8.8761 8.8761 8.8761 8.8761 9.1247 9.1247 9.1247 9.1247 9.6623 9.6623 9.6623 9.6623 9.7057 9.7057 9.7057 9.7057 12.4823 12.4823 12.4823 12.4823 13.5043 13.5043 13.5043 13.5043 k = 0.1136 0.0656 0.4020 ( 3082 PWs) bands (ev): -11.1163 -11.1163 -11.1163 -11.1163 -11.0725 -11.0725 -11.0725 -11.0725 -10.0883 -10.0883 -10.0883 -10.0883 -10.0682 -10.0682 -10.0682 -10.0682 -10.0198 -10.0198 -10.0198 -10.0198 2.0493 2.0493 2.0493 2.0493 8.5904 8.5904 8.5904 8.5904 8.8723 8.8723 8.8723 8.8723 9.1291 9.1291 9.1291 9.1291 9.6601 9.6601 9.6601 9.6601 9.7105 9.7105 9.7105 9.7105 12.4282 12.4282 12.4282 12.4282 13.4497 13.4497 13.4497 13.4497 k = 0.1250 0.0722 0.4020 ( 3076 PWs) bands (ev): -11.1163 -11.1163 -11.1163 -11.1163 -11.0723 -11.0723 -11.0723 -11.0723 -10.0883 -10.0883 -10.0883 -10.0883 -10.0680 -10.0680 -10.0680 -10.0680 -10.0197 -10.0197 -10.0197 -10.0197 2.0766 2.0766 2.0766 2.0766 8.5370 8.5370 8.5370 8.5370 8.8684 8.8684 8.8684 8.8684 9.1333 9.1333 9.1333 9.1333 9.6578 9.6578 9.6578 9.6578 9.7157 9.7157 9.7157 9.7157 12.3622 12.3622 12.3622 12.3622 13.4020 13.4020 13.4020 13.4020 k = 0.1364 0.0787 0.4020 ( 3084 PWs) bands (ev): -11.1163 -11.1163 -11.1163 -11.1163 -11.0721 -11.0721 -11.0721 -11.0721 -10.0883 -10.0883 -10.0883 -10.0883 -10.0678 -10.0678 -10.0678 -10.0678 -10.0196 -10.0196 -10.0196 -10.0196 2.1064 2.1064 2.1064 2.1064 8.4798 8.4798 8.4798 8.4798 8.8643 8.8643 8.8643 8.8643 9.1372 9.1372 9.1372 9.1372 9.6554 9.6554 9.6554 9.6554 9.7214 9.7214 9.7214 9.7214 12.2850 12.2850 12.2850 12.2850 13.3607 13.3607 13.3607 13.3607 k = 0.1477 0.0853 0.4020 ( 3088 PWs) bands (ev): -11.1163 -11.1163 -11.1163 -11.1163 -11.0719 -11.0719 -11.0719 -11.0719 -10.0883 -10.0883 -10.0883 -10.0883 -10.0677 -10.0677 -10.0677 -10.0677 -10.0194 -10.0194 -10.0194 -10.0194 2.1387 2.1387 2.1387 2.1387 8.4188 8.4188 8.4188 8.4188 8.8601 8.8601 8.8601 8.8601 9.1409 9.1409 9.1409 9.1409 9.6529 9.6529 9.6529 9.6529 9.7276 9.7276 9.7276 9.7276 12.1980 12.1980 12.1980 12.1980 13.3241 13.3241 13.3241 13.3241 k = 0.1591 0.0919 0.4020 ( 3084 PWs) bands (ev): -11.1163 -11.1163 -11.1163 -11.1163 -11.0716 -11.0716 -11.0716 -11.0716 -10.0884 -10.0884 -10.0884 -10.0884 -10.0675 -10.0675 -10.0675 -10.0675 -10.0193 -10.0193 -10.0193 -10.0193 2.1733 2.1733 2.1733 2.1733 8.3543 8.3543 8.3543 8.3543 8.8557 8.8557 8.8557 8.8557 9.1444 9.1444 9.1444 9.1444 9.6504 9.6504 9.6504 9.6504 9.7342 9.7342 9.7342 9.7342 12.1032 12.1032 12.1032 12.1032 13.2889 13.2889 13.2889 13.2889 k = 0.1705 0.0984 0.4020 ( 3084 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0714 -11.0714 -11.0714 -11.0714 -10.0884 -10.0884 -10.0884 -10.0884 -10.0672 -10.0672 -10.0672 -10.0672 -10.0191 -10.0191 -10.0191 -10.0191 2.2103 2.2103 2.2103 2.2103 8.2865 8.2865 8.2865 8.2865 8.8511 8.8511 8.8511 8.8511 9.1476 9.1476 9.1476 9.1476 9.6479 9.6479 9.6479 9.6479 9.7413 9.7413 9.7413 9.7413 12.0025 12.0025 12.0025 12.0025 13.2517 13.2517 13.2517 13.2517 k = 0.1818 0.1050 0.4020 ( 3088 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0711 -11.0711 -11.0711 -11.0711 -10.0884 -10.0884 -10.0884 -10.0884 -10.0670 -10.0670 -10.0670 -10.0670 -10.0189 -10.0189 -10.0189 -10.0189 2.2495 2.2495 2.2495 2.2495 8.2156 8.2156 8.2156 8.2156 8.8462 8.8462 8.8462 8.8462 9.1506 9.1506 9.1506 9.1506 9.6455 9.6455 9.6455 9.6455 9.7489 9.7489 9.7489 9.7489 11.8979 11.8979 11.8979 11.8979 13.2098 13.2098 13.2098 13.2098 k = 0.1932 0.1115 0.4020 ( 3088 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0709 -11.0709 -11.0709 -11.0709 -10.0884 -10.0884 -10.0884 -10.0884 -10.0668 -10.0668 -10.0668 -10.0668 -10.0188 -10.0188 -10.0188 -10.0188 2.2910 2.2910 2.2910 2.2910 8.1416 8.1416 8.1416 8.1416 8.8413 8.8413 8.8413 8.8413 9.1534 9.1534 9.1534 9.1534 9.6431 9.6431 9.6431 9.6431 9.7569 9.7569 9.7569 9.7569 11.7911 11.7911 11.7911 11.7911 13.1627 13.1627 13.1627 13.1627 k = 0.2045 0.1181 0.4020 ( 3076 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0706 -11.0706 -11.0706 -11.0706 -10.0885 -10.0885 -10.0885 -10.0885 -10.0666 -10.0666 -10.0666 -10.0666 -10.0186 -10.0186 -10.0186 -10.0186 2.3346 2.3346 2.3346 2.3346 8.0649 8.0649 8.0649 8.0649 8.8362 8.8362 8.8362 8.8362 9.1560 9.1560 9.1560 9.1560 9.6411 9.6411 9.6411 9.6411 9.7653 9.7653 9.7653 9.7653 11.6835 11.6835 11.6835 11.6835 13.1113 13.1113 13.1113 13.1113 k = 0.2159 0.1247 0.4020 ( 3074 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0704 -11.0704 -11.0704 -11.0704 -10.0885 -10.0885 -10.0885 -10.0885 -10.0663 -10.0663 -10.0663 -10.0663 -10.0184 -10.0184 -10.0184 -10.0184 2.3803 2.3803 2.3803 2.3803 7.9855 7.9855 7.9855 7.9855 8.8309 8.8309 8.8309 8.8309 9.1582 9.1582 9.1582 9.1582 9.6391 9.6391 9.6391 9.6391 9.7741 9.7741 9.7741 9.7741 11.5762 11.5762 11.5762 11.5762 13.0571 13.0571 13.0571 13.0571 k = 0.2273 0.1312 0.4020 ( 3064 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0701 -11.0701 -11.0701 -11.0701 -10.0885 -10.0885 -10.0885 -10.0885 -10.0660 -10.0660 -10.0660 -10.0660 -10.0183 -10.0183 -10.0183 -10.0183 2.4280 2.4280 2.4280 2.4280 7.9038 7.9038 7.9038 7.9038 8.8256 8.8256 8.8256 8.8256 9.1601 9.1601 9.1601 9.1601 9.6375 9.6375 9.6375 9.6375 9.7833 9.7833 9.7833 9.7833 11.4702 11.4702 11.4702 11.4702 13.0013 13.0013 13.0013 13.0013 k = 0.2386 0.1378 0.4020 ( 3068 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0698 -11.0698 -11.0698 -11.0698 -10.0886 -10.0886 -10.0886 -10.0886 -10.0658 -10.0658 -10.0658 -10.0658 -10.0181 -10.0181 -10.0181 -10.0181 2.4776 2.4776 2.4776 2.4776 7.8198 7.8198 7.8198 7.8198 8.8201 8.8201 8.8201 8.8201 9.1617 9.1617 9.1617 9.1617 9.6363 9.6363 9.6363 9.6363 9.7928 9.7928 9.7928 9.7928 11.3661 11.3661 11.3661 11.3661 12.9450 12.9450 12.9450 12.9450 k = 0.2500 0.1443 0.4020 ( 3074 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0696 -11.0696 -11.0696 -11.0696 -10.0886 -10.0886 -10.0886 -10.0886 -10.0655 -10.0655 -10.0655 -10.0655 -10.0179 -10.0179 -10.0179 -10.0179 2.5289 2.5289 2.5289 2.5289 7.7339 7.7339 7.7339 7.7339 8.8146 8.8146 8.8146 8.8146 9.1629 9.1629 9.1629 9.1629 9.6355 9.6355 9.6355 9.6355 9.8025 9.8025 9.8025 9.8025 11.2647 11.2647 11.2647 11.2647 12.8888 12.8888 12.8888 12.8888 k = 0.2614 0.1509 0.4020 ( 3066 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0693 -11.0693 -11.0693 -11.0693 -10.0887 -10.0887 -10.0887 -10.0887 -10.0653 -10.0653 -10.0653 -10.0653 -10.0177 -10.0177 -10.0177 -10.0177 2.5819 2.5819 2.5819 2.5819 7.6463 7.6463 7.6463 7.6463 8.8090 8.8090 8.8090 8.8090 9.1637 9.1637 9.1637 9.1637 9.6352 9.6352 9.6352 9.6352 9.8126 9.8126 9.8126 9.8126 11.1663 11.1663 11.1663 11.1663 12.8334 12.8334 12.8334 12.8334 k = 0.2727 0.1575 0.4020 ( 3066 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0691 -11.0691 -11.0691 -11.0691 -10.0887 -10.0887 -10.0887 -10.0887 -10.0650 -10.0650 -10.0650 -10.0650 -10.0176 -10.0176 -10.0176 -10.0176 2.6364 2.6364 2.6364 2.6364 7.5574 7.5574 7.5574 7.5574 8.8034 8.8034 8.8034 8.8034 9.1641 9.1641 9.1641 9.1641 9.6356 9.6356 9.6356 9.6356 9.8228 9.8228 9.8228 9.8228 11.0713 11.0713 11.0713 11.0713 12.7790 12.7790 12.7790 12.7790 k = 0.2841 0.1640 0.4020 ( 3062 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0688 -11.0688 -11.0688 -11.0688 -10.0887 -10.0887 -10.0887 -10.0887 -10.0647 -10.0647 -10.0647 -10.0647 -10.0174 -10.0174 -10.0174 -10.0174 2.6923 2.6923 2.6923 2.6923 7.4673 7.4673 7.4673 7.4673 8.7979 8.7979 8.7979 8.7979 9.1641 9.1641 9.1641 9.1641 9.6366 9.6366 9.6366 9.6366 9.8333 9.8333 9.8333 9.8333 10.9800 10.9800 10.9800 10.9800 12.7260 12.7260 12.7260 12.7260 k = 0.2955 0.1706 0.4020 ( 3062 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0686 -11.0686 -11.0686 -11.0686 -10.0888 -10.0888 -10.0888 -10.0888 -10.0645 -10.0645 -10.0645 -10.0645 -10.0173 -10.0173 -10.0173 -10.0173 2.7493 2.7493 2.7493 2.7493 7.3765 7.3765 7.3765 7.3765 8.7923 8.7923 8.7923 8.7923 9.1637 9.1637 9.1637 9.1637 9.6383 9.6383 9.6383 9.6383 9.8438 9.8438 9.8438 9.8438 10.8925 10.8925 10.8925 10.8925 12.6747 12.6747 12.6747 12.6747 k = 0.3068 0.1771 0.4020 ( 3058 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0683 -11.0683 -11.0683 -11.0683 -10.0888 -10.0888 -10.0888 -10.0888 -10.0642 -10.0642 -10.0642 -10.0642 -10.0171 -10.0171 -10.0171 -10.0171 2.8073 2.8073 2.8073 2.8073 7.2854 7.2854 7.2854 7.2854 8.7869 8.7869 8.7869 8.7869 9.1628 9.1628 9.1628 9.1628 9.6409 9.6409 9.6409 9.6409 9.8543 9.8543 9.8543 9.8543 10.8090 10.8090 10.8090 10.8090 12.6252 12.6252 12.6252 12.6252 k = 0.3182 0.1837 0.4020 ( 3058 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0681 -11.0681 -11.0681 -11.0681 -10.0888 -10.0888 -10.0888 -10.0888 -10.0639 -10.0639 -10.0639 -10.0639 -10.0169 -10.0169 -10.0169 -10.0169 2.8660 2.8660 2.8660 2.8660 7.1942 7.1942 7.1942 7.1942 8.7816 8.7816 8.7816 8.7816 9.1615 9.1615 9.1615 9.1615 9.6444 9.6444 9.6444 9.6444 9.8648 9.8648 9.8648 9.8648 10.7296 10.7296 10.7296 10.7296 12.5776 12.5776 12.5776 12.5776 k = 0.3295 0.1903 0.4020 ( 3054 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0679 -11.0679 -11.0679 -11.0679 -10.0889 -10.0889 -10.0889 -10.0889 -10.0637 -10.0637 -10.0637 -10.0637 -10.0168 -10.0168 -10.0168 -10.0168 2.9251 2.9251 2.9251 2.9251 7.1036 7.1036 7.1036 7.1036 8.7764 8.7764 8.7764 8.7764 9.1598 9.1598 9.1598 9.1598 9.6488 9.6488 9.6488 9.6488 9.8752 9.8752 9.8752 9.8752 10.6544 10.6544 10.6544 10.6544 12.5322 12.5322 12.5322 12.5322 k = 0.3409 0.1968 0.4020 ( 3050 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0677 -11.0677 -11.0677 -11.0677 -10.0889 -10.0889 -10.0889 -10.0889 -10.0634 -10.0634 -10.0634 -10.0634 -10.0167 -10.0167 -10.0167 -10.0167 2.9844 2.9844 2.9844 2.9844 7.0138 7.0138 7.0138 7.0138 8.7714 8.7714 8.7714 8.7714 9.1577 9.1577 9.1577 9.1577 9.6541 9.6541 9.6541 9.6541 9.8855 9.8855 9.8855 9.8855 10.5832 10.5832 10.5832 10.5832 12.4890 12.4890 12.4890 12.4890 k = 0.3523 0.2034 0.4020 ( 3050 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0675 -11.0675 -11.0675 -11.0675 -10.0889 -10.0889 -10.0889 -10.0889 -10.0632 -10.0632 -10.0632 -10.0632 -10.0165 -10.0165 -10.0165 -10.0165 3.0436 3.0436 3.0436 3.0436 6.9256 6.9256 6.9256 6.9256 8.7666 8.7666 8.7666 8.7666 9.1553 9.1553 9.1553 9.1553 9.6604 9.6604 9.6604 9.6604 9.8955 9.8955 9.8955 9.8955 10.5161 10.5161 10.5161 10.5161 12.4483 12.4483 12.4483 12.4483 k = 0.3636 0.2099 0.4020 ( 3054 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0673 -11.0673 -11.0673 -11.0673 -10.0890 -10.0890 -10.0890 -10.0890 -10.0630 -10.0630 -10.0630 -10.0630 -10.0164 -10.0164 -10.0164 -10.0164 3.1021 3.1021 3.1021 3.1021 6.8393 6.8393 6.8393 6.8393 8.7620 8.7620 8.7620 8.7620 9.1526 9.1526 9.1526 9.1526 9.6678 9.6678 9.6678 9.6678 9.9052 9.9052 9.9052 9.9052 10.4530 10.4530 10.4530 10.4530 12.4100 12.4100 12.4100 12.4100 k = 0.3750 0.2165 0.4020 ( 3054 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0671 -11.0671 -11.0671 -11.0671 -10.0890 -10.0890 -10.0890 -10.0890 -10.0628 -10.0628 -10.0628 -10.0628 -10.0163 -10.0163 -10.0163 -10.0163 3.1596 3.1596 3.1596 3.1596 6.7556 6.7556 6.7556 6.7556 8.7576 8.7576 8.7576 8.7576 9.1497 9.1497 9.1497 9.1497 9.6761 9.6761 9.6761 9.6761 9.9145 9.9145 9.9145 9.9145 10.3939 10.3939 10.3939 10.3939 12.3743 12.3743 12.3743 12.3743 k = 0.3864 0.2231 0.4020 ( 3050 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0669 -11.0669 -11.0669 -11.0669 -10.0890 -10.0890 -10.0890 -10.0890 -10.0626 -10.0626 -10.0626 -10.0626 -10.0162 -10.0162 -10.0162 -10.0162 3.2155 3.2155 3.2155 3.2155 6.6752 6.6752 6.6752 6.6752 8.7535 8.7535 8.7535 8.7535 9.1467 9.1467 9.1467 9.1467 9.6856 9.6856 9.6856 9.6856 9.9233 9.9233 9.9233 9.9233 10.3386 10.3386 10.3386 10.3386 12.3414 12.3414 12.3414 12.3414 k = 0.3977 0.2296 0.4020 ( 3050 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0668 -11.0668 -11.0668 -11.0668 -10.0890 -10.0890 -10.0890 -10.0890 -10.0624 -10.0624 -10.0624 -10.0624 -10.0161 -10.0161 -10.0161 -10.0161 3.2693 3.2693 3.2693 3.2693 6.5988 6.5988 6.5988 6.5988 8.7498 8.7498 8.7498 8.7498 9.1436 9.1436 9.1436 9.1436 9.6959 9.6959 9.6959 9.6959 9.9316 9.9316 9.9316 9.9316 10.2873 10.2873 10.2873 10.2873 12.3112 12.3112 12.3112 12.3112 k = 0.4091 0.2362 0.4020 ( 3042 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0666 -11.0666 -11.0666 -11.0666 -10.0891 -10.0891 -10.0891 -10.0891 -10.0622 -10.0622 -10.0622 -10.0622 -10.0160 -10.0160 -10.0160 -10.0160 3.3204 3.3204 3.3204 3.3204 6.5271 6.5271 6.5271 6.5271 8.7464 8.7464 8.7464 8.7464 9.1406 9.1406 9.1406 9.1406 9.7071 9.7071 9.7071 9.7071 9.9394 9.9394 9.9394 9.9394 10.2397 10.2397 10.2397 10.2397 12.2840 12.2840 12.2840 12.2840 k = 0.4205 0.2427 0.4020 ( 3046 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0665 -11.0665 -11.0665 -11.0665 -10.0891 -10.0891 -10.0891 -10.0891 -10.0621 -10.0621 -10.0621 -10.0621 -10.0159 -10.0159 -10.0159 -10.0159 3.3681 3.3681 3.3681 3.3681 6.4610 6.4610 6.4610 6.4610 8.7433 8.7433 8.7433 8.7433 9.1378 9.1378 9.1378 9.1378 9.7190 9.7190 9.7190 9.7190 9.9463 9.9463 9.9463 9.9463 10.1960 10.1960 10.1960 10.1960 12.2597 12.2597 12.2597 12.2597 k = 0.4318 0.2493 0.4020 ( 3052 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0664 -11.0664 -11.0664 -11.0664 -10.0891 -10.0891 -10.0891 -10.0891 -10.0620 -10.0620 -10.0620 -10.0620 -10.0159 -10.0159 -10.0159 -10.0159 3.4115 3.4115 3.4115 3.4115 6.4013 6.4013 6.4013 6.4013 8.7406 8.7406 8.7406 8.7406 9.1351 9.1351 9.1351 9.1351 9.7315 9.7315 9.7315 9.7315 9.9525 9.9525 9.9525 9.9525 10.1562 10.1562 10.1562 10.1562 12.2385 12.2385 12.2385 12.2385 k = 0.4432 0.2559 0.4020 ( 3048 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0663 -11.0663 -11.0663 -11.0663 -10.0891 -10.0891 -10.0891 -10.0891 -10.0619 -10.0619 -10.0619 -10.0619 -10.0158 -10.0158 -10.0158 -10.0158 3.4501 3.4501 3.4501 3.4501 6.3488 6.3488 6.3488 6.3488 8.7382 8.7382 8.7382 8.7382 9.1326 9.1326 9.1326 9.1326 9.7443 9.7443 9.7443 9.7443 9.9579 9.9579 9.9579 9.9579 10.1206 10.1206 10.1206 10.1206 12.2205 12.2205 12.2205 12.2205 k = 0.4545 0.2624 0.4020 ( 3056 PWs) bands (ev): -11.1165 -11.1165 -11.1165 -11.1165 -11.0662 -11.0662 -11.0662 -11.0662 -10.0891 -10.0891 -10.0891 -10.0891 -10.0618 -10.0618 -10.0618 -10.0618 -10.0157 -10.0157 -10.0157 -10.0157 3.4830 3.4830 3.4830 3.4830 6.3044 6.3044 6.3044 6.3044 8.7363 8.7363 8.7363 8.7363 9.1305 9.1305 9.1305 9.1305 9.7568 9.7568 9.7568 9.7568 9.9623 9.9623 9.9623 9.9623 10.0894 10.0894 10.0894 10.0894 12.2056 12.2056 12.2056 12.2056 k = 0.4659 0.2690 0.4020 ( 3050 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0662 -11.0662 -11.0662 -11.0662 -10.0891 -10.0891 -10.0891 -10.0891 -10.0617 -10.0617 -10.0617 -10.0617 -10.0157 -10.0157 -10.0157 -10.0157 3.5095 3.5095 3.5095 3.5095 6.2690 6.2690 6.2690 6.2690 8.7349 8.7349 8.7349 8.7349 9.1289 9.1289 9.1289 9.1289 9.7683 9.7683 9.7683 9.7683 9.9659 9.9659 9.9659 9.9659 10.0634 10.0634 10.0634 10.0634 12.1940 12.1940 12.1940 12.1940 k = 0.4773 0.2756 0.4020 ( 3056 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0661 -11.0661 -11.0661 -11.0661 -10.0891 -10.0891 -10.0891 -10.0891 -10.0616 -10.0616 -10.0616 -10.0616 -10.0157 -10.0157 -10.0157 -10.0157 3.5289 3.5289 3.5289 3.5289 6.2431 6.2431 6.2431 6.2431 8.7338 8.7338 8.7338 8.7338 9.1276 9.1276 9.1276 9.1276 9.7780 9.7780 9.7780 9.7780 9.9685 9.9685 9.9685 9.9685 10.0435 10.0435 10.0435 10.0435 12.1856 12.1856 12.1856 12.1856 k = 0.4886 0.2821 0.4020 ( 3060 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0661 -11.0661 -11.0661 -11.0661 -10.0891 -10.0891 -10.0891 -10.0891 -10.0616 -10.0616 -10.0616 -10.0616 -10.0157 -10.0157 -10.0157 -10.0157 3.5408 3.5408 3.5408 3.5408 6.2273 6.2273 6.2273 6.2273 8.7331 8.7331 8.7331 8.7331 9.1269 9.1269 9.1269 9.1269 9.7846 9.7846 9.7846 9.7846 9.9700 9.9700 9.9700 9.9700 10.0307 10.0307 10.0307 10.0307 12.1806 12.1806 12.1806 12.1806 k = 0.5000 0.2887 0.4020 ( 3064 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0661 -11.0661 -11.0661 -11.0661 -10.0891 -10.0891 -10.0891 -10.0891 -10.0616 -10.0616 -10.0616 -10.0616 -10.0157 -10.0157 -10.0157 -10.0157 3.5448 3.5448 3.5448 3.5448 6.2220 6.2220 6.2220 6.2220 8.7329 8.7329 8.7329 8.7329 9.1266 9.1266 9.1266 9.1266 9.7869 9.7869 9.7869 9.7869 9.9705 9.9705 9.9705 9.9705 10.0263 10.0263 10.0263 10.0263 12.1789 12.1789 12.1789 12.1789 k = 0.5000 0.2887 0.4020 ( 3064 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0661 -11.0661 -11.0661 -11.0661 -10.0891 -10.0891 -10.0891 -10.0891 -10.0616 -10.0616 -10.0616 -10.0616 -10.0157 -10.0157 -10.0157 -10.0157 3.5448 3.5448 3.5448 3.5448 6.2220 6.2220 6.2220 6.2220 8.7329 8.7329 8.7329 8.7329 9.1266 9.1266 9.1266 9.1266 9.7869 9.7869 9.7869 9.7869 9.9705 9.9705 9.9705 9.9705 10.0263 10.0263 10.0263 10.0263 12.1789 12.1789 12.1789 12.1789 k = 0.4933 0.3002 0.4020 ( 3064 PWs) bands (ev): -11.1165 -11.1165 -11.1164 -11.1164 -11.0662 -11.0662 -11.0660 -11.0660 -10.0896 -10.0896 -10.0887 -10.0887 -10.0621 -10.0621 -10.0611 -10.0611 -10.0157 -10.0157 -10.0156 -10.0156 3.5453 3.5453 3.5457 3.5457 6.2233 6.2233 6.2237 6.2237 8.7250 8.7250 8.7323 8.7323 9.1254 9.1254 9.1302 9.1302 9.7824 9.7824 9.7896 9.7896 9.9584 9.9584 9.9796 9.9796 10.0215 10.0215 10.0357 10.0357 12.1590 12.1590 12.1640 12.1640 k = 0.4867 0.3118 0.4020 ( 3060 PWs) bands (ev): -11.1166 -11.1166 -11.1163 -11.1163 -11.0662 -11.0662 -11.0660 -11.0660 -10.0901 -10.0901 -10.0881 -10.0881 -10.0625 -10.0625 -10.0607 -10.0607 -10.0158 -10.0158 -10.0156 -10.0156 3.5473 3.5473 3.5480 3.5480 6.2276 6.2276 6.2283 6.2283 8.7090 8.7090 8.7233 8.7233 9.1267 9.1267 9.1360 9.1360 9.7763 9.7763 9.7903 9.7903 9.9458 9.9458 9.9813 9.9813 10.0254 10.0254 10.0474 10.0474 12.1079 12.1079 12.1167 12.1167 k = 0.4800 0.3233 0.4020 ( 3064 PWs) bands (ev): -11.1166 -11.1166 -11.1162 -11.1162 -11.0662 -11.0662 -11.0659 -11.0659 -10.0905 -10.0905 -10.0876 -10.0876 -10.0630 -10.0630 -10.0602 -10.0602 -10.0158 -10.0158 -10.0156 -10.0156 3.5507 3.5507 3.5517 3.5517 6.2348 6.2348 6.2358 6.2358 8.6854 8.6854 8.7059 8.7059 9.1302 9.1302 9.1434 9.1434 9.7688 9.7688 9.7889 9.7889 9.9333 9.9333 9.9763 9.9763 10.0372 10.0372 10.0604 10.0604 12.0334 12.0334 12.0445 12.0445 k = 0.4733 0.3349 0.4020 ( 3064 PWs) bands (ev): -11.1167 -11.1167 -11.1161 -11.1161 -11.0663 -11.0663 -11.0658 -11.0658 -10.0909 -10.0909 -10.0871 -10.0871 -10.0634 -10.0634 -10.0597 -10.0597 -10.0159 -10.0159 -10.0156 -10.0156 3.5555 3.5555 3.5569 3.5569 6.2449 6.2449 6.2464 6.2464 8.6546 8.6546 8.6806 8.6806 9.1357 9.1357 9.1521 9.1521 9.7600 9.7600 9.7855 9.7855 9.9215 9.9215 9.9685 9.9685 10.0527 10.0527 10.0747 10.0747 11.9439 11.9439 11.9559 11.9559 k = 0.4667 0.3464 0.4020 ( 3058 PWs) bands (ev): -11.1168 -11.1168 -11.1161 -11.1161 -11.0663 -11.0663 -11.0658 -11.0658 -10.0913 -10.0913 -10.0865 -10.0865 -10.0639 -10.0639 -10.0593 -10.0593 -10.0160 -10.0160 -10.0156 -10.0156 3.5616 3.5616 3.5634 3.5634 6.2579 6.2579 6.2598 6.2598 8.6173 8.6173 8.6480 8.6480 9.1426 9.1426 9.1614 9.1614 9.7502 9.7502 9.7799 9.7799 9.9105 9.9105 9.9597 9.9597 10.0702 10.0702 10.0901 10.0901 11.8462 11.8462 11.8581 11.8581 k = 0.4600 0.3580 0.4020 ( 3066 PWs) bands (ev): -11.1168 -11.1168 -11.1160 -11.1160 -11.0664 -11.0664 -11.0657 -11.0657 -10.0917 -10.0917 -10.0859 -10.0859 -10.0643 -10.0643 -10.0588 -10.0588 -10.0161 -10.0161 -10.0157 -10.0157 3.5691 3.5691 3.5712 3.5712 6.2738 6.2738 6.2762 6.2762 8.5735 8.5735 8.6083 8.6083 9.1503 9.1503 9.1710 9.1710 9.7395 9.7395 9.7724 9.7724 9.9002 9.9002 9.9505 9.9505 10.0887 10.0887 10.1064 10.1064 11.7451 11.7451 11.7561 11.7561 k = 0.4533 0.3695 0.4020 ( 3062 PWs) bands (ev): -11.1169 -11.1169 -11.1159 -11.1159 -11.0664 -11.0664 -11.0656 -11.0656 -10.0920 -10.0920 -10.0854 -10.0854 -10.0648 -10.0648 -10.0584 -10.0584 -10.0162 -10.0162 -10.0157 -10.0157 3.5778 3.5778 3.5803 3.5803 6.2925 6.2925 6.2955 6.2955 8.5239 8.5239 8.5622 8.5622 9.1587 9.1587 9.1807 9.1807 9.7282 9.7282 9.7632 9.7632 9.8905 9.8905 9.9411 9.9411 10.1082 10.1082 10.1237 10.1237 11.6440 11.6440 11.6538 11.6538 k = 0.4467 0.3811 0.4020 ( 3054 PWs) bands (ev): -11.1169 -11.1169 -11.1158 -11.1158 -11.0664 -11.0664 -11.0655 -11.0655 -10.0923 -10.0923 -10.0848 -10.0848 -10.0652 -10.0652 -10.0579 -10.0579 -10.0163 -10.0163 -10.0158 -10.0158 3.5877 3.5877 3.5906 3.5906 6.3140 6.3140 6.3177 6.3177 8.4686 8.4686 8.5101 8.5101 9.1672 9.1672 9.1904 9.1904 9.7164 9.7164 9.7525 9.7525 9.8815 9.8815 9.9317 9.9317 10.1284 10.1284 10.1419 10.1419 11.5452 11.5452 11.5535 11.5535 k = 0.4400 0.3926 0.4020 ( 3054 PWs) bands (ev): -11.1170 -11.1170 -11.1157 -11.1157 -11.0664 -11.0664 -11.0654 -11.0654 -10.0927 -10.0927 -10.0842 -10.0842 -10.0657 -10.0657 -10.0575 -10.0575 -10.0164 -10.0164 -10.0158 -10.0158 3.5987 3.5987 3.6019 3.6019 6.3383 6.3383 6.3427 6.3427 8.4079 8.4079 8.4522 8.4522 9.1758 9.1758 9.1999 9.1999 9.7041 9.7041 9.7406 9.7406 9.8730 9.8730 9.9223 9.9223 10.1492 10.1492 10.1609 10.1609 11.4502 11.4502 11.4568 11.4568 k = 0.4333 0.4041 0.4020 ( 3054 PWs) bands (ev): -11.1170 -11.1170 -11.1156 -11.1156 -11.0664 -11.0664 -11.0653 -11.0653 -10.0929 -10.0929 -10.0835 -10.0835 -10.0662 -10.0662 -10.0570 -10.0570 -10.0165 -10.0165 -10.0159 -10.0159 3.6108 3.6108 3.6143 3.6143 6.3652 6.3652 6.3705 6.3705 8.3422 8.3422 8.3891 8.3891 9.1843 9.1843 9.2091 9.2091 9.6916 9.6916 9.7278 9.7278 9.8648 9.8648 9.9128 9.9128 10.1707 10.1707 10.1806 10.1806 11.3600 11.3600 11.3647 11.3647 k = 0.4267 0.4157 0.4020 ( 3054 PWs) bands (ev): -11.1170 -11.1170 -11.1156 -11.1156 -11.0664 -11.0664 -11.0653 -11.0653 -10.0932 -10.0932 -10.0829 -10.0829 -10.0666 -10.0666 -10.0566 -10.0566 -10.0166 -10.0166 -10.0160 -10.0160 3.6237 3.6237 3.6275 3.6275 6.3947 6.3947 6.4010 6.4010 8.2719 8.2719 8.3213 8.3213 9.1926 9.1926 9.2180 9.2180 9.6789 9.6789 9.7142 9.7142 9.8569 9.8569 9.9035 9.9035 10.1926 10.1926 10.2009 10.2009 11.2751 11.2751 11.2781 11.2781 k = 0.4200 0.4272 0.4020 ( 3046 PWs) bands (ev): -11.1171 -11.1171 -11.1155 -11.1155 -11.0664 -11.0664 -11.0652 -11.0652 -10.0935 -10.0935 -10.0823 -10.0823 -10.0671 -10.0671 -10.0562 -10.0562 -10.0168 -10.0168 -10.0161 -10.0161 3.6374 3.6374 3.6416 3.6416 6.4266 6.4266 6.4342 6.4342 8.1974 8.1974 8.2493 8.2493 9.2006 9.2006 9.2266 9.2266 9.6663 9.6663 9.7004 9.7004 9.8494 9.8494 9.8944 9.8944 10.2152 10.2152 10.2220 10.2220 11.1959 11.1959 11.1970 11.1970 k = 0.4133 0.4388 0.4020 ( 3046 PWs) bands (ev): -11.1171 -11.1171 -11.1154 -11.1154 -11.0664 -11.0664 -11.0651 -11.0651 -10.0937 -10.0937 -10.0817 -10.0817 -10.0675 -10.0675 -10.0558 -10.0558 -10.0169 -10.0169 -10.0162 -10.0162 3.6517 3.6517 3.6562 3.6562 6.4610 6.4610 6.4701 6.4701 8.1192 8.1192 8.1737 8.1737 9.2082 9.2082 9.2348 9.2348 9.6538 9.6538 9.6863 9.6863 9.8422 9.8422 9.8855 9.8855 10.2382 10.2382 10.2435 10.2435 11.1216 11.1216 11.1224 11.1224 k = 0.4067 0.4503 0.4020 ( 3050 PWs) bands (ev): -11.1171 -11.1171 -11.1153 -11.1153 -11.0664 -11.0664 -11.0650 -11.0650 -10.0939 -10.0939 -10.0810 -10.0810 -10.0680 -10.0680 -10.0554 -10.0554 -10.0170 -10.0170 -10.0163 -10.0163 3.6664 3.6664 3.6712 3.6712 6.4975 6.4975 6.5084 6.5084 8.0381 8.0381 8.0953 8.0953 9.2155 9.2155 9.2427 9.2427 9.6416 9.6416 9.6724 9.6724 9.8352 9.8352 9.8769 9.8769 10.2617 10.2617 10.2657 10.2657 11.0518 11.0518 11.0544 11.0544 k = 0.4000 0.4619 0.4020 ( 3050 PWs) bands (ev): -11.1171 -11.1171 -11.1153 -11.1153 -11.0664 -11.0664 -11.0649 -11.0649 -10.0941 -10.0941 -10.0804 -10.0804 -10.0685 -10.0685 -10.0551 -10.0551 -10.0171 -10.0171 -10.0164 -10.0164 3.6814 3.6814 3.6866 3.6866 6.5360 6.5360 6.5492 6.5492 7.9548 7.9548 8.0148 8.0148 9.2224 9.2224 9.2502 9.2502 9.6299 9.6299 9.6587 9.6587 9.8286 9.8286 9.8687 9.8687 10.2857 10.2857 10.2883 10.2883 10.9874 10.9874 10.9918 10.9918 k = 0.3933 0.4734 0.4020 ( 3058 PWs) bands (ev): -11.1172 -11.1172 -11.1152 -11.1152 -11.0664 -11.0664 -11.0649 -11.0649 -10.0942 -10.0942 -10.0798 -10.0798 -10.0689 -10.0689 -10.0547 -10.0547 -10.0172 -10.0172 -10.0164 -10.0164 3.6965 3.6965 3.7019 3.7019 6.5763 6.5763 6.5922 6.5922 7.8699 7.8699 7.9333 7.9333 9.2288 9.2288 9.2573 9.2573 9.6187 9.6187 9.6456 9.6456 9.8222 9.8222 9.8608 9.8608 10.3102 10.3102 10.3112 10.3112 10.9281 10.9281 10.9343 10.9343 k = 0.3867 0.4850 0.4020 ( 3052 PWs) bands (ev): -11.1172 -11.1172 -11.1151 -11.1151 -11.0664 -11.0664 -11.0648 -11.0648 -10.0944 -10.0944 -10.0792 -10.0792 -10.0694 -10.0694 -10.0544 -10.0544 -10.0172 -10.0172 -10.0165 -10.0165 3.7114 3.7114 3.7170 3.7170 6.6180 6.6180 6.6374 6.6374 7.7845 7.7845 7.8518 7.8518 9.2348 9.2348 9.2639 9.2639 9.6082 9.6082 9.6332 9.6332 9.8163 9.8163 9.8536 9.8536 10.3346 10.3346 10.3351 10.3351 10.8734 10.8734 10.8817 10.8817 k = 0.3800 0.4965 0.4020 ( 3056 PWs) bands (ev): -11.1172 -11.1172 -11.1151 -11.1151 -11.0664 -11.0664 -11.0647 -11.0647 -10.0945 -10.0945 -10.0786 -10.0786 -10.0699 -10.0699 -10.0541 -10.0541 -10.0173 -10.0173 -10.0166 -10.0166 3.7258 3.7258 3.7317 3.7317 6.6605 6.6605 6.6843 6.6843 7.6994 7.6994 7.7715 7.7715 9.2401 9.2401 9.2700 9.2700 9.5986 9.5986 9.6217 9.6217 9.8108 9.8108 9.8468 9.8468 10.3581 10.3581 10.3604 10.3604 10.8232 10.8232 10.8335 10.8335 k = 0.3733 0.5081 0.4020 ( 3060 PWs) bands (ev): -11.1172 -11.1172 -11.1151 -11.1151 -11.0664 -11.0664 -11.0647 -11.0647 -10.0946 -10.0946 -10.0780 -10.0780 -10.0703 -10.0703 -10.0539 -10.0539 -10.0174 -10.0174 -10.0167 -10.0167 3.7394 3.7394 3.7456 3.7456 6.7033 6.7033 6.7328 6.7328 7.6157 7.6157 7.6937 7.6937 9.2450 9.2450 9.2755 9.2755 9.5900 9.5900 9.6114 9.6114 9.8057 9.8057 9.8407 9.8407 10.3816 10.3816 10.3860 10.3860 10.7769 10.7769 10.7896 10.7896 k = 0.3667 0.5196 0.4020 ( 3060 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0646 -11.0646 -10.0947 -10.0947 -10.0774 -10.0774 -10.0708 -10.0708 -10.0537 -10.0537 -10.0174 -10.0174 -10.0167 -10.0167 3.7520 3.7520 3.7584 3.7584 6.7454 6.7454 6.7821 6.7821 7.5347 7.5347 7.6203 7.6203 9.2492 9.2492 9.2804 9.2804 9.5826 9.5826 9.6024 9.6024 9.8012 9.8012 9.8353 9.8353 10.4051 10.4051 10.4120 10.4120 10.7343 10.7343 10.7497 10.7497 k = 0.3600 0.5312 0.4020 ( 3064 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0646 -11.0646 -10.0948 -10.0948 -10.0769 -10.0769 -10.0712 -10.0712 -10.0535 -10.0535 -10.0175 -10.0175 -10.0168 -10.0168 3.7632 3.7632 3.7697 3.7697 6.7853 6.7853 6.8313 6.8313 7.4582 7.4582 7.5532 7.5532 9.2527 9.2527 9.2846 9.2846 9.5764 9.5764 9.5949 9.5949 9.7973 9.7973 9.8306 9.8306 10.4279 10.4279 10.4382 10.4382 10.6950 10.6950 10.7140 10.7140 k = 0.3533 0.5427 0.4020 ( 3068 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0764 -10.0764 -10.0716 -10.0716 -10.0533 -10.0533 -10.0175 -10.0175 -10.0168 -10.0168 3.7725 3.7725 3.7792 3.7792 6.8210 6.8210 6.8788 6.8788 7.3883 7.3883 7.4953 7.4953 9.2555 9.2555 9.2879 9.2879 9.5715 9.5715 9.5888 9.5888 9.7940 9.7940 9.8268 9.8268 10.4495 10.4495 10.4644 10.4644 10.6591 10.6591 10.6828 10.6828 k = 0.3467 0.5543 0.4020 ( 3074 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0760 -10.0760 -10.0720 -10.0720 -10.0532 -10.0532 -10.0175 -10.0175 -10.0169 -10.0169 3.7797 3.7797 3.7865 3.7865 6.8498 6.8498 6.9212 6.9212 7.3292 7.3292 7.4499 7.4499 9.2574 9.2574 9.2903 9.2903 9.5680 9.5680 9.5846 9.5846 9.7915 9.7915 9.8239 9.8239 10.4685 10.4685 10.4899 10.4899 10.6268 10.6268 10.6573 10.6573 k = 0.3400 0.5658 0.4020 ( 3074 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0758 -10.0758 -10.0722 -10.0722 -10.0532 -10.0532 -10.0176 -10.0176 -10.0169 -10.0169 3.7843 3.7843 3.7912 3.7912 6.8685 6.8685 6.9526 6.9526 7.2874 7.2874 7.4208 7.4208 9.2586 9.2586 9.2917 9.2917 9.5659 9.5659 9.5820 9.5820 9.7899 9.7899 9.8220 9.8220 10.4822 10.4822 10.5126 10.5126 10.6002 10.6002 10.6397 10.6397 k = 0.3333 0.5774 0.4020 ( 3078 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0757 -10.0757 -10.0723 -10.0723 -10.0531 -10.0531 -10.0176 -10.0176 -10.0169 -10.0169 3.7860 3.7860 3.7928 3.7928 6.8748 6.8748 6.9644 6.9644 7.2720 7.2720 7.4109 7.4109 9.2590 9.2590 9.2922 9.2922 9.5653 9.5653 9.5812 9.5812 9.7893 9.7893 9.8214 9.8214 10.4874 10.4874 10.5238 10.5238 10.5878 10.5878 10.6332 10.6332 k = 0.3333 0.5774 0.4020 ( 3078 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0757 -10.0757 -10.0723 -10.0723 -10.0531 -10.0531 -10.0176 -10.0176 -10.0169 -10.0169 3.7860 3.7860 3.7928 3.7928 6.8748 6.8748 6.9644 6.9644 7.2720 7.2720 7.4109 7.4109 9.2590 9.2590 9.2922 9.2922 9.5653 9.5653 9.5812 9.5812 9.7893 9.7893 9.8214 9.8214 10.4874 10.4874 10.5238 10.5238 10.5878 10.5878 10.6332 10.6332 k = 0.3267 0.5658 0.4020 ( 3074 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0758 -10.0758 -10.0722 -10.0722 -10.0532 -10.0532 -10.0176 -10.0176 -10.0169 -10.0169 3.7842 3.7842 3.7911 3.7911 6.8690 6.8690 6.9535 6.9535 7.2867 7.2867 7.4204 7.4204 9.2586 9.2586 9.2917 9.2917 9.5659 9.5659 9.5820 9.5820 9.7899 9.7899 9.8221 9.8221 10.4824 10.4824 10.5131 10.5131 10.5998 10.5998 10.6394 10.6394 k = 0.3200 0.5543 0.4020 ( 3074 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0760 -10.0760 -10.0720 -10.0720 -10.0532 -10.0532 -10.0175 -10.0175 -10.0169 -10.0169 3.7787 3.7787 3.7855 3.7855 6.8541 6.8541 6.9274 6.9274 7.3243 7.3243 7.4468 7.4468 9.2575 9.2575 9.2903 9.2903 9.5677 9.5677 9.5842 9.5842 9.7920 9.7920 9.8243 9.8243 10.4698 10.4698 10.4921 10.4921 10.6244 10.6244 10.6556 10.6556 k = 0.3133 0.5427 0.4020 ( 3058 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0764 -10.0764 -10.0717 -10.0717 -10.0533 -10.0533 -10.0175 -10.0175 -10.0168 -10.0168 3.7691 3.7691 3.7758 3.7758 6.8343 6.8343 6.8960 6.8960 7.3754 7.3754 7.4862 7.4862 9.2558 9.2558 9.2882 9.2882 9.5706 9.5706 9.5877 9.5877 9.7956 9.7956 9.8281 9.8281 10.4534 10.4534 10.4696 10.4696 10.6531 10.6531 10.6782 10.6782 k = 0.3067 0.5312 0.4020 ( 3054 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0646 -11.0646 -10.0948 -10.0948 -10.0768 -10.0768 -10.0713 -10.0713 -10.0535 -10.0535 -10.0175 -10.0175 -10.0168 -10.0168 3.7552 3.7552 3.7616 3.7616 6.8136 6.8136 6.8654 6.8654 7.4341 7.4341 7.5348 7.5348 9.2534 9.2534 9.2853 9.2853 9.5741 9.5741 9.5921 9.5921 9.8011 9.8011 9.8338 9.8338 10.4354 10.4354 10.4476 10.4476 10.6837 10.6837 10.7046 10.7046 k = 0.3000 0.5196 0.4020 ( 3058 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0646 -11.0646 -10.0947 -10.0947 -10.0773 -10.0773 -10.0709 -10.0709 -10.0537 -10.0537 -10.0175 -10.0175 -10.0168 -10.0168 3.7366 3.7366 3.7429 3.7429 6.7950 6.7950 6.8390 6.8390 7.4970 7.4970 7.5898 7.5898 9.2505 9.2505 9.2817 9.2817 9.5782 9.5782 9.5970 9.5970 9.8086 9.8086 9.8414 9.8414 10.4173 10.4173 10.4269 10.4269 10.7155 10.7155 10.7335 10.7335 k = 0.2933 0.5081 0.4020 ( 3058 PWs) bands (ev): -11.1172 -11.1172 -11.1150 -11.1150 -11.0664 -11.0664 -11.0647 -11.0647 -10.0947 -10.0947 -10.0778 -10.0778 -10.0706 -10.0706 -10.0539 -10.0539 -10.0174 -10.0174 -10.0167 -10.0167 3.7134 3.7134 3.7195 3.7195 6.7805 6.7805 6.8185 6.8185 7.5626 7.5626 7.6492 7.6492 9.2472 9.2472 9.2777 9.2777 9.5826 9.5826 9.6021 9.6021 9.8182 9.8182 9.8510 9.8510 10.4002 10.4002 10.4080 10.4080 10.7484 10.7484 10.7643 10.7643 k = 0.2867 0.4965 0.4020 ( 3054 PWs) bands (ev): -11.1172 -11.1172 -11.1151 -11.1151 -11.0665 -11.0665 -11.0648 -11.0648 -10.0946 -10.0946 -10.0783 -10.0783 -10.0702 -10.0702 -10.0542 -10.0542 -10.0174 -10.0174 -10.0167 -10.0167 3.6856 3.6856 3.6913 3.6913 6.7713 6.7713 6.8048 6.8048 7.6297 7.6297 7.7114 7.7114 9.2436 9.2436 9.2733 9.2733 9.5870 9.5870 9.6073 9.6073 9.8300 9.8300 9.8626 9.8626 10.3846 10.3846 10.3914 10.3914 10.7823 10.7823 10.7967 10.7967 k = 0.2800 0.4850 0.4020 ( 3058 PWs) bands (ev): -11.1172 -11.1172 -11.1151 -11.1151 -11.0665 -11.0665 -11.0649 -11.0649 -10.0944 -10.0944 -10.0788 -10.0788 -10.0698 -10.0698 -10.0544 -10.0544 -10.0174 -10.0174 -10.0166 -10.0166 3.6531 3.6531 3.6585 3.6585 6.7683 6.7683 6.7984 6.7984 7.6976 7.6976 7.7755 7.7755 9.2397 9.2397 9.2685 9.2685 9.5913 9.5913 9.6121 9.6121 9.8438 9.8438 9.8758 9.8758 10.3711 10.3711 10.3774 10.3774 10.8174 10.8174 10.8306 10.8306 k = 0.2733 0.4734 0.4020 ( 3056 PWs) bands (ev): -11.1172 -11.1172 -11.1152 -11.1152 -11.0666 -11.0666 -11.0650 -11.0650 -10.0943 -10.0943 -10.0793 -10.0793 -10.0695 -10.0695 -10.0548 -10.0548 -10.0174 -10.0174 -10.0166 -10.0166 3.6161 3.6161 3.6212 3.6212 6.7720 6.7720 6.7994 6.7994 7.7657 7.7657 7.8406 7.8406 9.2357 9.2357 9.2636 9.2636 9.5953 9.5953 9.6165 9.6165 9.8594 9.8594 9.8905 9.8905 10.3605 10.3605 10.3668 10.3668 10.8535 10.8535 10.8659 10.8659 k = 0.2667 0.4619 0.4020 ( 3064 PWs) bands (ev): -11.1172 -11.1172 -11.1152 -11.1152 -11.0667 -11.0667 -11.0651 -11.0651 -10.0942 -10.0942 -10.0798 -10.0798 -10.0691 -10.0691 -10.0551 -10.0551 -10.0173 -10.0173 -10.0165 -10.0165 3.5750 3.5750 3.5797 3.5797 6.7823 6.7823 6.8077 6.8077 7.8336 7.8336 7.9060 7.9060 9.2315 9.2315 9.2586 9.2586 9.5990 9.5990 9.6205 9.6205 9.8760 9.8760 9.9059 9.9059 10.3537 10.3537 10.3606 10.3606 10.8908 10.8908 10.9024 10.9024 k = 0.2600 0.4503 0.4020 ( 3064 PWs) bands (ev): -11.1172 -11.1172 -11.1153 -11.1153 -11.0667 -11.0667 -11.0652 -11.0652 -10.0940 -10.0940 -10.0803 -10.0803 -10.0688 -10.0688 -10.0555 -10.0555 -10.0173 -10.0173 -10.0165 -10.0165 3.5300 3.5300 3.5344 3.5344 6.7994 6.7994 6.8233 6.8233 7.9007 7.9007 7.9710 7.9710 9.2273 9.2273 9.2535 9.2535 9.6022 9.6022 9.6239 9.6239 9.8926 9.8926 9.9209 9.9209 10.3520 10.3520 10.3600 10.3600 10.9293 10.9293 10.9404 10.9404 k = 0.2533 0.4388 0.4020 ( 3068 PWs) bands (ev): -11.1171 -11.1171 -11.1154 -11.1154 -11.0668 -11.0668 -11.0654 -11.0654 -10.0938 -10.0938 -10.0808 -10.0808 -10.0685 -10.0685 -10.0559 -10.0559 -10.0173 -10.0173 -10.0165 -10.0165 3.4815 3.4815 3.4855 3.4855 6.8231 6.8231 6.8457 6.8457 7.9668 7.9668 8.0353 8.0353 9.2230 9.2230 9.2484 9.2484 9.6051 9.6051 9.6269 9.6269 9.9082 9.9082 9.9344 9.9344 10.3565 10.3565 10.3664 10.3664 10.9691 10.9691 10.9798 10.9798 k = 0.2467 0.4272 0.4020 ( 3060 PWs) bands (ev): -11.1171 -11.1171 -11.1154 -11.1154 -11.0669 -11.0669 -11.0656 -11.0656 -10.0937 -10.0937 -10.0813 -10.0813 -10.0683 -10.0683 -10.0564 -10.0564 -10.0173 -10.0173 -10.0164 -10.0164 3.4299 3.4299 3.4335 3.4335 6.8529 6.8529 6.8747 6.8747 8.0315 8.0315 8.0983 8.0983 9.2189 9.2189 9.2433 9.2433 9.6076 9.6076 9.6295 9.6295 9.9214 9.9214 9.9452 9.9452 10.3688 10.3688 10.3811 10.3811 11.0104 11.0104 11.0207 11.0207 k = 0.2400 0.4157 0.4020 ( 3064 PWs) bands (ev): -11.1171 -11.1171 -11.1155 -11.1155 -11.0670 -11.0670 -11.0657 -11.0657 -10.0935 -10.0935 -10.0818 -10.0818 -10.0680 -10.0680 -10.0568 -10.0568 -10.0173 -10.0173 -10.0164 -10.0164 3.3756 3.3756 3.3789 3.3789 6.8887 6.8887 6.9098 6.9098 8.0943 8.0943 8.1596 8.1596 9.2147 9.2147 9.2383 9.2383 9.6098 9.6098 9.6318 9.6318 9.9311 9.9311 9.9523 9.9523 10.3900 10.3900 10.4050 10.4050 11.0532 11.0532 11.0633 11.0633 k = 0.2333 0.4041 0.4020 ( 3062 PWs) bands (ev): -11.1171 -11.1171 -11.1156 -11.1156 -11.0672 -11.0672 -11.0659 -11.0659 -10.0933 -10.0933 -10.0823 -10.0823 -10.0678 -10.0678 -10.0573 -10.0573 -10.0173 -10.0173 -10.0164 -10.0164 3.3191 3.3191 3.3221 3.3221 6.9300 6.9300 6.9506 6.9506 8.1551 8.1551 8.2189 8.2189 9.2107 9.2107 9.2334 9.2334 9.6116 9.6116 9.6338 9.6338 9.9366 9.9366 9.9552 9.9552 10.4208 10.4208 10.4390 10.4390 11.0977 11.0977 11.1075 11.1075 k = 0.2267 0.3926 0.4020 ( 3062 PWs) bands (ev): -11.1171 -11.1171 -11.1156 -11.1156 -11.0673 -11.0673 -11.0661 -11.0661 -10.0931 -10.0931 -10.0827 -10.0827 -10.0676 -10.0676 -10.0578 -10.0578 -10.0173 -10.0173 -10.0164 -10.0164 3.2608 3.2608 3.2635 3.2635 6.9764 6.9764 6.9965 6.9965 8.2135 8.2135 8.2759 8.2759 9.2067 9.2067 9.2285 9.2285 9.6132 9.6132 9.6356 9.6356 9.9377 9.9377 9.9540 9.9540 10.4616 10.4616 10.4828 10.4828 11.1440 11.1440 11.1535 11.1535 k = 0.2200 0.3811 0.4020 ( 3058 PWs) bands (ev): -11.1170 -11.1170 -11.1157 -11.1157 -11.0674 -11.0674 -11.0664 -11.0664 -10.0928 -10.0928 -10.0832 -10.0832 -10.0674 -10.0674 -10.0583 -10.0583 -10.0173 -10.0173 -10.0165 -10.0165 3.2012 3.2012 3.2036 3.2036 7.0274 7.0274 7.0472 7.0472 8.2693 8.2693 8.3302 8.3302 9.2029 9.2029 9.2238 9.2238 9.6147 9.6147 9.6373 9.6373 9.9349 9.9349 9.9493 9.9493 10.5119 10.5119 10.5360 10.5360 11.1922 11.1922 11.2015 11.2015 k = 0.2133 0.3695 0.4020 ( 3056 PWs) bands (ev): -11.1170 -11.1170 -11.1157 -11.1157 -11.0676 -11.0676 -11.0666 -11.0666 -10.0926 -10.0926 -10.0836 -10.0836 -10.0673 -10.0673 -10.0588 -10.0588 -10.0174 -10.0174 -10.0165 -10.0165 3.1405 3.1405 3.1427 3.1427 7.0826 7.0826 7.1022 7.1022 8.3223 8.3223 8.3818 8.3818 9.1992 9.1992 9.2191 9.2191 9.6160 9.6160 9.6389 9.6389 9.9289 9.9289 9.9418 9.9418 10.5708 10.5708 10.5976 10.5976 11.2426 11.2426 11.2515 11.2515 k = 0.2067 0.3580 0.4020 ( 3064 PWs) bands (ev): -11.1170 -11.1170 -11.1158 -11.1158 -11.0678 -11.0678 -11.0668 -11.0668 -10.0924 -10.0924 -10.0840 -10.0840 -10.0672 -10.0672 -10.0593 -10.0593 -10.0174 -10.0174 -10.0166 -10.0166 3.0792 3.0792 3.0811 3.0811 7.1416 7.1416 7.1610 7.1610 8.3724 8.3724 8.4304 8.4304 9.1956 9.1956 9.2146 9.2146 9.6171 9.6171 9.6404 9.6404 9.9202 9.9202 9.9321 9.9321 10.6378 10.6378 10.6670 10.6670 11.2952 11.2952 11.3036 11.3036 k = 0.2000 0.3464 0.4020 ( 3062 PWs) bands (ev): -11.1170 -11.1170 -11.1159 -11.1159 -11.0679 -11.0679 -11.0671 -11.0671 -10.0921 -10.0921 -10.0844 -10.0844 -10.0671 -10.0671 -10.0598 -10.0598 -10.0175 -10.0175 -10.0166 -10.0166 3.0177 3.0177 3.0194 3.0194 7.2040 7.2040 7.2231 7.2231 8.4196 8.4196 8.4760 8.4760 9.1922 9.1922 9.2102 9.2102 9.6182 9.6182 9.6420 9.6420 9.9097 9.9097 9.9209 9.9209 10.7119 10.7119 10.7432 10.7432 11.3505 11.3505 11.3581 11.3581 k = 0.1933 0.3349 0.4020 ( 3068 PWs) bands (ev): -11.1169 -11.1169 -11.1159 -11.1159 -11.0681 -11.0681 -11.0673 -11.0673 -10.0919 -10.0919 -10.0847 -10.0847 -10.0670 -10.0670 -10.0604 -10.0604 -10.0175 -10.0175 -10.0167 -10.0167 2.9562 2.9562 2.9577 2.9577 7.2692 7.2692 7.2883 7.2883 8.4638 8.4638 8.5186 8.5186 9.1889 9.1889 9.2059 9.2059 9.6193 9.6193 9.6435 9.6435 9.8979 9.8979 9.9086 9.9086 10.7922 10.7922 10.8254 10.8254 11.4086 11.4086 11.4152 11.4152 k = 0.1867 0.3233 0.4020 ( 3072 PWs) bands (ev): -11.1169 -11.1169 -11.1160 -11.1160 -11.0683 -11.0683 -11.0676 -11.0676 -10.0917 -10.0917 -10.0851 -10.0851 -10.0669 -10.0669 -10.0609 -10.0609 -10.0176 -10.0176 -10.0168 -10.0168 2.8950 2.8950 2.8963 2.8963 7.3370 7.3370 7.3559 7.3559 8.5050 8.5050 8.5581 8.5581 9.1857 9.1857 9.2017 9.2017 9.6203 9.6203 9.6450 9.6450 9.8851 9.8851 9.8956 9.8956 10.8783 10.8783 10.9128 10.9128 11.4699 11.4699 11.4749 11.4749 k = 0.1800 0.3118 0.4020 ( 3072 PWs) bands (ev): -11.1169 -11.1169 -11.1160 -11.1160 -11.0685 -11.0685 -11.0679 -11.0679 -10.0914 -10.0914 -10.0854 -10.0854 -10.0669 -10.0669 -10.0614 -10.0614 -10.0177 -10.0177 -10.0169 -10.0169 2.8344 2.8344 2.8355 2.8355 7.4069 7.4069 7.4257 7.4257 8.5432 8.5432 8.5946 8.5946 9.1827 9.1827 9.1976 9.1976 9.6213 9.6213 9.6466 9.6466 9.8718 9.8718 9.8823 9.8823 10.9692 10.9692 11.0046 11.0046 11.5349 11.5349 11.5377 11.5377 k = 0.1733 0.3002 0.4020 ( 3072 PWs) bands (ev): -11.1169 -11.1169 -11.1161 -11.1161 -11.0687 -11.0687 -11.0681 -11.0681 -10.0912 -10.0912 -10.0857 -10.0857 -10.0669 -10.0669 -10.0619 -10.0619 -10.0178 -10.0178 -10.0170 -10.0170 2.7746 2.7746 2.7756 2.7756 7.4786 7.4786 7.4972 7.4972 8.5786 8.5786 8.6282 8.6282 9.1797 9.1797 9.1936 9.1936 9.6223 9.6223 9.6482 9.6482 9.8582 9.8582 9.8689 9.8689 11.0642 11.0642 11.0997 11.0997 11.6037 11.6037 11.6039 11.6039 k = 0.1667 0.2887 0.4020 ( 3070 PWs) bands (ev): -11.1168 -11.1168 -11.1161 -11.1161 -11.0690 -11.0690 -11.0684 -11.0684 -10.0909 -10.0909 -10.0860 -10.0860 -10.0669 -10.0669 -10.0624 -10.0624 -10.0179 -10.0179 -10.0172 -10.0172 2.7159 2.7159 2.7167 2.7167 7.5517 7.5517 7.5700 7.5700 8.6113 8.6113 8.6590 8.6590 9.1768 9.1768 9.1897 9.1897 9.6234 9.6234 9.6498 9.6498 9.8446 9.8446 9.8557 9.8557 11.1626 11.1626 11.1973 11.1973 11.6733 11.6733 11.6776 11.6776 k = 0.1600 0.2771 0.4020 ( 3068 PWs) bands (ev): -11.1168 -11.1168 -11.1161 -11.1161 -11.0692 -11.0692 -11.0687 -11.0687 -10.0907 -10.0907 -10.0863 -10.0863 -10.0669 -10.0669 -10.0629 -10.0629 -10.0180 -10.0180 -10.0173 -10.0173 2.6584 2.6584 2.6591 2.6591 7.6257 7.6257 7.6439 7.6439 8.6413 8.6413 8.6871 8.6871 9.1741 9.1741 9.1858 9.1858 9.6245 9.6245 9.6515 9.6515 9.8312 9.8312 9.8426 9.8426 11.2634 11.2634 11.2961 11.2961 11.7467 11.7467 11.7566 11.7566 k = 0.1533 0.2656 0.4020 ( 3068 PWs) bands (ev): -11.1168 -11.1168 -11.1162 -11.1162 -11.0694 -11.0694 -11.0690 -11.0690 -10.0905 -10.0905 -10.0865 -10.0865 -10.0669 -10.0669 -10.0634 -10.0634 -10.0181 -10.0181 -10.0175 -10.0175 2.6022 2.6022 2.6029 2.6029 7.7004 7.7004 7.7184 7.7184 8.6688 8.6688 8.7127 8.7127 9.1713 9.1713 9.1820 9.1820 9.6257 9.6257 9.6531 9.6531 9.8180 9.8180 9.8300 9.8300 11.3657 11.3657 11.3952 11.3952 11.8244 11.8244 11.8415 11.8415 k = 0.1467 0.2540 0.4020 ( 3064 PWs) bands (ev): -11.1167 -11.1167 -11.1162 -11.1162 -11.0697 -11.0697 -11.0693 -11.0693 -10.0903 -10.0903 -10.0867 -10.0867 -10.0670 -10.0670 -10.0639 -10.0639 -10.0183 -10.0183 -10.0177 -10.0177 2.5477 2.5477 2.5482 2.5482 7.7755 7.7755 7.7931 7.7931 8.6939 8.6939 8.7358 8.7358 9.1686 9.1686 9.1783 9.1783 9.6270 9.6270 9.6548 9.6548 9.8052 9.8052 9.8179 9.8179 11.4686 11.4686 11.4933 11.4933 11.9069 11.9069 11.9330 11.9330 k = 0.1400 0.2425 0.4020 ( 3068 PWs) bands (ev): -11.1167 -11.1167 -11.1162 -11.1162 -11.0699 -11.0699 -11.0696 -11.0696 -10.0900 -10.0900 -10.0869 -10.0869 -10.0671 -10.0671 -10.0644 -10.0644 -10.0184 -10.0184 -10.0178 -10.0178 2.4948 2.4948 2.4953 2.4953 7.8504 7.8504 7.8678 7.8678 8.7167 8.7167 8.7567 8.7567 9.1659 9.1659 9.1746 9.1746 9.6283 9.6283 9.6565 9.6565 9.7929 9.7929 9.8062 9.8062 11.5710 11.5710 11.5897 11.5897 11.9945 11.9945 12.0313 12.0313 k = 0.1333 0.2309 0.4020 ( 3072 PWs) bands (ev): -11.1166 -11.1166 -11.1162 -11.1162 -11.0702 -11.0702 -11.0699 -11.0699 -10.0898 -10.0898 -10.0871 -10.0871 -10.0672 -10.0672 -10.0648 -10.0648 -10.0185 -10.0185 -10.0180 -10.0180 2.4438 2.4438 2.4442 2.4442 7.9250 7.9250 7.9420 7.9420 8.7374 8.7374 8.7754 8.7754 9.1631 9.1631 9.1708 9.1708 9.6298 9.6298 9.6582 9.6582 9.7812 9.7812 9.7952 9.7952 11.6719 11.6719 11.6836 11.6836 12.0875 12.0875 12.1364 12.1364 k = 0.1267 0.2194 0.4020 ( 3072 PWs) bands (ev): -11.1166 -11.1166 -11.1163 -11.1163 -11.0704 -11.0704 -11.0702 -11.0702 -10.0896 -10.0896 -10.0873 -10.0873 -10.0672 -10.0672 -10.0652 -10.0652 -10.0187 -10.0187 -10.0182 -10.0182 2.3947 2.3947 2.3950 2.3950 7.9988 7.9988 8.0155 8.0155 8.7562 8.7562 8.7921 8.7921 9.1603 9.1603 9.1671 9.1671 9.6314 9.6314 9.6600 9.6600 9.7701 9.7701 9.7848 9.7848 11.7704 11.7704 11.7747 11.7747 12.1860 12.1860 12.2481 12.2481 k = 0.1200 0.2078 0.4020 ( 3080 PWs) bands (ev): -11.1166 -11.1166 -11.1163 -11.1163 -11.0707 -11.0707 -11.0704 -11.0704 -10.0895 -10.0895 -10.0874 -10.0874 -10.0673 -10.0673 -10.0656 -10.0656 -10.0188 -10.0188 -10.0184 -10.0184 2.3476 2.3476 2.3479 2.3479 8.0716 8.0716 8.0880 8.0880 8.7731 8.7731 8.8069 8.8069 9.1574 9.1574 9.1633 9.1633 9.6332 9.6332 9.6616 9.6616 9.7596 9.7596 9.7749 9.7749 11.8630 11.8630 11.8658 11.8658 12.2898 12.2898 12.3655 12.3655 k = 0.1133 0.1963 0.4020 ( 3084 PWs) bands (ev): -11.1165 -11.1165 -11.1163 -11.1163 -11.0709 -11.0709 -11.0707 -11.0707 -10.0893 -10.0893 -10.0876 -10.0876 -10.0675 -10.0675 -10.0660 -10.0660 -10.0189 -10.0189 -10.0186 -10.0186 2.3027 2.3027 2.3029 2.3029 8.1431 8.1431 8.1590 8.1590 8.7884 8.7884 8.8201 8.8201 9.1544 9.1544 9.1596 9.1596 9.6350 9.6350 9.6633 9.6633 9.7498 9.7498 9.7657 9.7657 11.9483 11.9483 11.9574 11.9574 12.3985 12.3985 12.4878 12.4878 k = 0.1067 0.1848 0.4020 ( 3076 PWs) bands (ev): -11.1165 -11.1165 -11.1163 -11.1163 -11.0712 -11.0712 -11.0710 -11.0710 -10.0891 -10.0891 -10.0877 -10.0877 -10.0676 -10.0676 -10.0664 -10.0664 -10.0191 -10.0191 -10.0188 -10.0188 2.2600 2.2600 2.2601 2.2601 8.2129 8.2129 8.2284 8.2284 8.8021 8.8021 8.8317 8.8317 9.1514 9.1514 9.1558 9.1558 9.6371 9.6371 9.6649 9.6649 9.7408 9.7408 9.7572 9.7572 12.0308 12.0308 12.0450 12.0450 12.5113 12.5113 12.6138 12.6138 k = 0.1000 0.1732 0.4020 ( 3072 PWs) bands (ev): -11.1165 -11.1165 -11.1163 -11.1163 -11.0714 -11.0714 -11.0713 -11.0713 -10.0890 -10.0890 -10.0878 -10.0878 -10.0677 -10.0677 -10.0667 -10.0667 -10.0192 -10.0192 -10.0189 -10.0189 2.2195 2.2195 2.2197 2.2197 8.2808 8.2808 8.2957 8.2957 8.8144 8.8144 8.8419 8.8419 9.1481 9.1481 9.1519 9.1519 9.6394 9.6394 9.6664 9.6664 9.7324 9.7324 9.7492 9.7492 12.1101 12.1101 12.1281 12.1281 12.6271 12.6271 12.7425 12.7425 k = 0.0933 0.1617 0.4020 ( 3072 PWs) bands (ev): -11.1164 -11.1164 -11.1163 -11.1163 -11.0716 -11.0716 -11.0715 -11.0715 -10.0889 -10.0889 -10.0879 -10.0879 -10.0678 -10.0678 -10.0670 -10.0670 -10.0194 -10.0194 -10.0191 -10.0191 2.1814 2.1814 2.1815 2.1815 8.3463 8.3463 8.3607 8.3607 8.8253 8.8253 8.8508 8.8508 9.1448 9.1448 9.1480 9.1480 9.6417 9.6417 9.6679 9.6679 9.7248 9.7248 9.7417 9.7417 12.1858 12.1858 12.2060 12.2060 12.7449 12.7449 12.8726 12.8726 k = 0.0867 0.1501 0.4020 ( 3072 PWs) bands (ev): -11.1164 -11.1164 -11.1163 -11.1163 -11.0719 -11.0719 -11.0718 -11.0718 -10.0887 -10.0887 -10.0879 -10.0879 -10.0679 -10.0679 -10.0673 -10.0673 -10.0195 -10.0195 -10.0193 -10.0193 2.1457 2.1457 2.1458 2.1458 8.4093 8.4093 8.4231 8.4231 8.8351 8.8351 8.8585 8.8585 9.1412 9.1412 9.1439 9.1439 9.6443 9.6443 9.6692 9.6692 9.7180 9.7180 9.7348 9.7348 12.2573 12.2573 12.2783 12.2783 12.8637 12.8637 13.0030 13.0030 k = 0.0800 0.1386 0.4020 ( 3072 PWs) bands (ev): -11.1164 -11.1164 -11.1163 -11.1163 -11.0721 -11.0721 -11.0720 -11.0720 -10.0886 -10.0886 -10.0880 -10.0880 -10.0681 -10.0681 -10.0676 -10.0676 -10.0196 -10.0196 -10.0195 -10.0195 2.1125 2.1125 2.1125 2.1125 8.4695 8.4695 8.4826 8.4826 8.8438 8.8438 8.8651 8.8651 9.1375 9.1375 9.1397 9.1397 9.6469 9.6469 9.6704 9.6704 9.7118 9.7118 9.7283 9.7283 12.3239 12.3239 12.3443 12.3443 12.9823 12.9823 13.1321 13.1321 k = 0.0733 0.1270 0.4020 ( 3068 PWs) bands (ev): -11.1163 -11.1163 -11.1162 -11.1162 -11.0723 -11.0723 -11.0722 -11.0722 -10.0886 -10.0886 -10.0881 -10.0881 -10.0682 -10.0682 -10.0678 -10.0678 -10.0197 -10.0197 -10.0196 -10.0196 2.0817 2.0817 2.0818 2.0818 8.5265 8.5265 8.5389 8.5389 8.8517 8.8517 8.8710 8.8710 9.1335 9.1335 9.1354 9.1354 9.6497 9.6497 9.6715 9.6715 9.7064 9.7064 9.7223 9.7223 12.3845 12.3845 12.4033 12.4033 13.0998 13.0998 13.2585 13.2585 k = 0.0667 0.1155 0.4020 ( 3076 PWs) bands (ev): -11.1163 -11.1163 -11.1162 -11.1162 -11.0725 -11.0725 -11.0724 -11.0724 -10.0885 -10.0885 -10.0881 -10.0881 -10.0683 -10.0683 -10.0680 -10.0680 -10.0199 -10.0199 -10.0198 -10.0198 2.0535 2.0535 2.0536 2.0536 8.5801 8.5801 8.5917 8.5917 8.8586 8.8586 8.8759 8.8759 9.1293 9.1293 9.1309 9.1309 9.6526 9.6526 9.6723 9.6723 9.7017 9.7017 9.7166 9.7166 12.4384 12.4384 12.4546 12.4546 13.2149 13.2149 13.3799 13.3799 k = 0.0600 0.1039 0.4020 ( 3072 PWs) bands (ev): -11.1163 -11.1163 -11.1162 -11.1162 -11.0726 -11.0726 -11.0726 -11.0726 -10.0884 -10.0884 -10.0881 -10.0881 -10.0684 -10.0684 -10.0682 -10.0682 -10.0200 -10.0200 -10.0199 -10.0199 2.0279 2.0279 2.0279 2.0279 8.6300 8.6300 8.6408 8.6408 8.8650 8.8650 8.8802 8.8802 9.1249 9.1249 9.1263 9.1263 9.6555 9.6555 9.6730 9.6730 9.6977 9.6977 9.7114 9.7114 12.4850 12.4850 12.4980 12.4980 13.3266 13.3266 13.4930 13.4930 k = 0.0533 0.0924 0.4020 ( 3072 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0728 -11.0728 -11.0728 -11.0728 -10.0884 -10.0884 -10.0882 -10.0882 -10.0685 -10.0685 -10.0683 -10.0683 -10.0201 -10.0201 -10.0200 -10.0200 2.0049 2.0049 2.0049 2.0049 8.6760 8.6760 8.6857 8.6857 8.8709 8.8709 8.8841 8.8841 9.1203 9.1203 9.1214 9.1214 9.6585 9.6585 9.6734 9.6734 9.6943 9.6943 9.7064 9.7064 12.5237 12.5237 12.5335 12.5335 13.4336 13.4336 13.5928 13.5928 k = 0.0467 0.0808 0.4020 ( 3072 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0730 -11.0730 -11.0729 -11.0729 -10.0883 -10.0883 -10.0882 -10.0882 -10.0686 -10.0686 -10.0685 -10.0685 -10.0202 -10.0202 -10.0201 -10.0201 1.9846 1.9846 1.9846 1.9846 8.7175 8.7175 8.7260 8.7260 8.8766 8.8766 8.8877 8.8877 9.1155 9.1155 9.1164 9.1164 9.6614 9.6614 9.6737 9.6737 9.6916 9.6916 9.7018 9.7018 12.5548 12.5548 12.5616 12.5616 13.5345 13.5345 13.6732 13.6732 k = 0.0400 0.0693 0.4020 ( 3072 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0731 -11.0731 -11.0731 -11.0731 -10.0883 -10.0883 -10.0882 -10.0882 -10.0687 -10.0687 -10.0686 -10.0686 -10.0203 -10.0203 -10.0202 -10.0202 1.9669 1.9669 1.9669 1.9669 8.7543 8.7543 8.7614 8.7614 8.8823 8.8823 8.8912 8.8912 9.1105 9.1105 9.1112 9.1112 9.6643 9.6643 9.6738 9.6738 9.6894 9.6894 9.6975 9.6975 12.5787 12.5787 12.5831 12.5831 13.6274 13.6274 13.7335 13.7335 k = 0.0333 0.0577 0.4020 ( 3072 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0732 -11.0732 -11.0732 -11.0732 -10.0883 -10.0883 -10.0882 -10.0882 -10.0687 -10.0687 -10.0687 -10.0687 -10.0203 -10.0203 -10.0203 -10.0203 1.9519 1.9519 1.9519 1.9519 8.7857 8.7857 8.7911 8.7911 8.8884 8.8884 8.8951 8.8951 9.1054 9.1054 9.1059 9.1059 9.6671 9.6671 9.6740 9.6740 9.6875 9.6875 9.6936 9.6936 12.5964 12.5964 12.5989 12.5989 13.7100 13.7100 13.7805 13.7805 k = 0.0267 0.0462 0.4020 ( 3080 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0733 -11.0733 -11.0733 -11.0733 -10.0883 -10.0883 -10.0882 -10.0882 -10.0688 -10.0688 -10.0688 -10.0688 -10.0204 -10.0204 -10.0204 -10.0204 1.9396 1.9396 1.9396 1.9396 8.8110 8.8110 8.8146 8.8146 8.8953 8.8953 8.8996 8.8996 9.1004 9.1004 9.1007 9.1007 9.6697 9.6697 9.6742 9.6742 9.6859 9.6859 9.6900 9.6900 12.6088 12.6088 12.6102 12.6102 13.7800 13.7800 13.8198 13.8198 k = 0.0200 0.0346 0.4020 ( 3072 PWs) bands (ev): -11.1162 -11.1162 -11.1162 -11.1162 -11.0734 -11.0734 -11.0734 -11.0734 -10.0882 -10.0882 -10.0882 -10.0882 -10.0688 -10.0688 -10.0688 -10.0688 -10.0205 -10.0205 -10.0205 -10.0205 1.9300 1.9300 1.9300 1.9300 8.8298 8.8298 8.8317 8.8317 8.9029 8.9029 8.9050 8.9050 9.0957 9.0957 9.0959 9.0959 9.6722 9.6722 9.6747 9.6747 9.6845 9.6845 9.6868 9.6868 12.6172 12.6172 12.6178 12.6178 13.8350 13.8350 13.8530 13.8530 k = 0.0133 0.0231 0.4020 ( 3076 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0734 -11.0734 -11.0734 -11.0734 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9232 1.9232 1.9232 1.9232 8.8420 8.8420 8.8426 8.8426 8.9100 8.9100 8.9108 8.9108 9.0918 9.0918 9.0919 9.0919 9.6744 9.6744 9.6754 9.6754 9.6830 9.6830 9.6840 9.6840 12.6224 12.6224 12.6226 12.6226 13.8737 13.8737 13.8793 13.8793 k = 0.0067 0.0115 0.4020 ( 3072 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0735 -11.0735 -11.0735 -11.0735 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9190 1.9190 1.9190 1.9190 8.8485 8.8485 8.8486 8.8486 8.9153 8.9153 8.9154 8.9154 9.0892 9.0892 9.0892 9.0892 9.6761 9.6761 9.6764 9.6764 9.6817 9.6817 9.6819 9.6819 12.6253 12.6253 12.6253 12.6253 13.8960 13.8960 13.8967 13.8967 k = 0.0000 0.0000 0.4020 ( 3070 PWs) bands (ev): -11.1161 -11.1161 -11.1161 -11.1161 -11.0735 -11.0735 -11.0735 -11.0735 -10.0882 -10.0882 -10.0882 -10.0882 -10.0689 -10.0689 -10.0689 -10.0689 -10.0205 -10.0205 -10.0205 -10.0205 1.9177 1.9177 1.9177 1.9177 8.8505 8.8505 8.8505 8.8505 8.9172 8.9172 8.9172 8.9172 9.0883 9.0883 9.0883 9.0883 9.6770 9.6770 9.6770 9.6770 9.6810 9.6810 9.6810 9.6810 12.6261 12.6261 12.6261 12.6261 13.9030 13.9030 13.9030 13.9030 k = 0.5000 0.2887 0.4020 ( 3064 PWs) bands (ev): -11.1164 -11.1164 -11.1164 -11.1164 -11.0661 -11.0661 -11.0661 -11.0661 -10.0891 -10.0891 -10.0891 -10.0891 -10.0616 -10.0616 -10.0616 -10.0616 -10.0157 -10.0157 -10.0157 -10.0157 3.5448 3.5448 3.5448 3.5448 6.2220 6.2220 6.2220 6.2220 8.7329 8.7329 8.7329 8.7329 9.1266 9.1266 9.1266 9.1266 9.7869 9.7869 9.7869 9.7869 9.9705 9.9705 9.9705 9.9705 10.0263 10.0263 10.0263 10.0263 12.1789 12.1789 12.1789 12.1789 k = 0.5000 0.2887 0.3886 ( 3060 PWs) bands (ev): -11.1167 -11.1167 -11.1162 -11.1162 -11.0662 -11.0662 -11.0660 -11.0660 -10.0901 -10.0901 -10.0881 -10.0881 -10.0623 -10.0623 -10.0609 -10.0609 -10.0160 -10.0160 -10.0153 -10.0153 3.5200 3.5200 3.5671 3.5671 6.1773 6.1773 6.2730 6.2730 8.7099 8.7099 8.7562 8.7562 9.0809 9.0809 9.1721 9.1721 9.7703 9.7703 9.8028 9.8028 9.9596 9.9596 9.9803 9.9803 10.0094 10.0094 10.0458 10.0458 12.0772 12.0772 12.2835 12.2835 k = 0.5000 0.2887 0.3752 ( 3064 PWs) bands (ev): -11.1169 -11.1169 -11.1160 -11.1160 -11.0663 -11.0663 -11.0659 -11.0659 -10.0910 -10.0910 -10.0871 -10.0871 -10.0630 -10.0630 -10.0603 -10.0603 -10.0162 -10.0162 -10.0150 -10.0150 3.4932 3.4932 3.5868 3.5868 6.1393 6.1393 6.3301 6.3301 8.6872 8.6872 8.7798 8.7798 9.0351 9.0351 9.2171 9.2171 9.7533 9.7533 9.8172 9.8172 9.9487 9.9487 9.9820 9.9820 10.0023 10.0023 10.0666 10.0666 11.9782 11.9782 12.3907 12.3907 k = 0.5000 0.2887 0.3618 ( 3066 PWs) bands (ev): -11.1171 -11.1171 -11.1158 -11.1158 -11.0664 -11.0664 -11.0658 -11.0658 -10.0919 -10.0919 -10.0861 -10.0861 -10.0638 -10.0638 -10.0598 -10.0598 -10.0165 -10.0165 -10.0147 -10.0147 3.4647 3.4647 3.6036 3.6036 6.1080 6.1080 6.3930 6.3930 8.6649 8.6649 8.8036 8.8036 8.9897 8.9897 9.2613 9.2613 9.7363 9.7363 9.8289 9.8289 9.9385 9.9385 9.9719 9.9719 10.0096 10.0096 10.0881 10.0881 11.8820 11.8820 12.5007 12.5007 k = 0.5000 0.2887 0.3484 ( 3070 PWs) bands (ev): -11.1173 -11.1173 -11.1156 -11.1156 -11.0665 -11.0665 -11.0657 -11.0657 -10.0928 -10.0928 -10.0850 -10.0850 -10.0646 -10.0646 -10.0592 -10.0592 -10.0167 -10.0167 -10.0144 -10.0144 3.4348 3.4348 3.6173 3.6173 6.0836 6.0836 6.4613 6.4613 8.6430 8.6430 8.8275 8.8275 8.9451 8.9451 9.3044 9.3044 9.7194 9.7194 9.8359 9.8359 9.9295 9.9295 9.9628 9.9628 10.0200 10.0200 10.1102 10.1102 11.7886 11.7886 12.6132 12.6132 k = 0.5000 0.2887 0.3350 ( 3074 PWs) bands (ev): -11.1175 -11.1175 -11.1153 -11.1153 -11.0667 -11.0667 -11.0657 -11.0657 -10.0935 -10.0935 -10.0839 -10.0839 -10.0654 -10.0654 -10.0587 -10.0587 -10.0170 -10.0170 -10.0140 -10.0140 3.4039 3.4039 3.6277 3.6277 6.0661 6.0661 6.5347 6.5347 8.6216 8.6216 8.8513 8.8513 8.9015 8.9015 9.3461 9.3461 9.7026 9.7026 9.8365 9.8365 9.9212 9.9212 9.9597 9.9597 10.0308 10.0308 10.1326 10.1326 11.6982 11.6982 12.7283 12.7283 k = 0.5000 0.2887 0.3216 ( 3070 PWs) bands (ev): -11.1177 -11.1177 -11.1151 -11.1151 -11.0668 -11.0668 -11.0656 -11.0656 -10.0943 -10.0943 -10.0828 -10.0828 -10.0663 -10.0663 -10.0583 -10.0583 -10.0171 -10.0171 -10.0137 -10.0137 3.3722 3.3722 3.6348 3.6348 6.0554 6.0554 6.6130 6.6130 8.6007 8.6007 8.8564 8.8564 8.8778 8.8778 9.3861 9.3861 9.6863 9.6863 9.8305 9.8305 9.9124 9.9124 9.9644 9.9644 10.0418 10.0418 10.1552 10.1552 11.6107 11.6107 12.8456 12.8456 k = 0.5000 0.2887 0.3082 ( 3064 PWs) bands (ev): -11.1179 -11.1179 -11.1149 -11.1149 -11.0669 -11.0669 -11.0656 -11.0656 -10.0950 -10.0950 -10.0818 -10.0818 -10.0671 -10.0671 -10.0579 -10.0579 -10.0173 -10.0173 -10.0134 -10.0134 3.3401 3.3401 3.6386 3.6386 6.0514 6.0514 6.6956 6.6956 8.5804 8.5804 8.8162 8.8162 8.9008 8.9008 9.4241 9.4241 9.6702 9.6702 9.8198 9.8198 9.9027 9.9027 9.9753 9.9753 10.0526 10.0526 10.1778 10.1778 11.5261 11.5261 12.9635 12.9635 k = 0.5000 0.2887 0.2948 ( 3068 PWs) bands (ev): -11.1181 -11.1181 -11.1147 -11.1147 -11.0670 -11.0670 -11.0655 -11.0655 -10.0956 -10.0956 -10.0807 -10.0807 -10.0680 -10.0680 -10.0575 -10.0575 -10.0174 -10.0174 -10.0131 -10.0131 3.3077 3.3077 3.6393 3.6393 6.0538 6.0538 6.7824 6.7824 8.5607 8.5607 8.7765 8.7765 8.9249 8.9249 9.4597 9.4597 9.6546 9.6546 9.8064 9.8064 9.8929 9.8929 9.9898 9.9898 10.0634 10.0634 10.2003 10.2003 11.4444 11.4444 13.0237 13.0237 k = 0.5000 0.2887 0.2814 ( 3068 PWs) bands (ev): -11.1183 -11.1183 -11.1145 -11.1145 -11.0671 -11.0671 -11.0655 -11.0655 -10.0962 -10.0962 -10.0797 -10.0797 -10.0689 -10.0689 -10.0572 -10.0572 -10.0175 -10.0175 -10.0128 -10.0128 3.2755 3.2755 3.6369 3.6369 6.0622 6.0622 6.8729 6.8729 8.5416 8.5416 8.7385 8.7385 8.9489 8.9489 9.4929 9.4929 9.6395 9.6395 9.7918 9.7918 9.8830 9.8830 10.0061 10.0061 10.0743 10.0743 10.2227 10.2227 11.3658 11.3658 12.9529 12.9529 k = 0.5000 0.2887 0.2680 ( 3072 PWs) bands (ev): -11.1185 -11.1185 -11.1143 -11.1143 -11.0673 -11.0673 -11.0655 -11.0655 -10.0967 -10.0967 -10.0788 -10.0788 -10.0697 -10.0697 -10.0569 -10.0569 -10.0176 -10.0176 -10.0125 -10.0125 3.2435 3.2435 3.6317 3.6317 6.0762 6.0762 6.9669 6.9669 8.5231 8.5231 8.7024 8.7024 8.9727 8.9727 9.5232 9.5232 9.6249 9.6249 9.7768 9.7768 9.8734 9.8734 10.0230 10.0230 10.0853 10.0853 10.2447 10.2447 11.2902 11.2902 12.8742 12.8742 k = 0.5000 0.2887 0.2546 ( 3072 PWs) bands (ev): -11.1187 -11.1187 -11.1142 -11.1142 -11.0674 -11.0674 -11.0655 -11.0655 -10.0971 -10.0971 -10.0779 -10.0779 -10.0704 -10.0704 -10.0567 -10.0567 -10.0176 -10.0176 -10.0123 -10.0123 3.2121 3.2121 3.6241 3.6241 6.0951 6.0951 7.0640 7.0640 8.5053 8.5053 8.6684 8.6684 8.9963 8.9963 9.5505 9.5505 9.6110 9.6110 9.7619 9.7619 9.8642 9.8642 10.0396 10.0396 10.0966 10.0966 10.2663 10.2663 11.2177 11.2177 12.7937 12.7937 k = 0.5000 0.2887 0.2412 ( 3068 PWs) bands (ev): -11.1188 -11.1188 -11.1140 -11.1140 -11.0675 -11.0675 -11.0655 -11.0655 -10.0975 -10.0975 -10.0774 -10.0774 -10.0710 -10.0710 -10.0565 -10.0565 -10.0176 -10.0176 -10.0121 -10.0121 3.1814 3.1814 3.6144 3.6144 6.1185 6.1185 7.1639 7.1639 8.4882 8.4882 8.6368 8.6368 9.0195 9.0195 9.5744 9.5744 9.5979 9.5979 9.7477 9.7477 9.8552 9.8552 10.0552 10.0552 10.1084 10.1084 10.2873 10.2873 11.1484 11.1484 12.7118 12.7118 k = 0.5000 0.2887 0.2278 ( 3060 PWs) bands (ev): -11.1190 -11.1190 -11.1138 -11.1138 -11.0676 -11.0676 -11.0655 -11.0655 -10.0978 -10.0978 -10.0771 -10.0771 -10.0712 -10.0712 -10.0563 -10.0563 -10.0176 -10.0176 -10.0119 -10.0119 3.1516 3.1516 3.6029 3.6029 6.1457 6.1457 7.2662 7.2662 8.4719 8.4719 8.6077 8.6077 9.0422 9.0422 9.5846 9.5846 9.5956 9.5956 9.7345 9.7345 9.8466 9.8466 10.0691 10.0691 10.1210 10.1210 10.3076 10.3076 11.0823 11.0823 12.6291 12.6291 k = 0.5000 0.2887 0.2144 ( 3066 PWs) bands (ev): -11.1191 -11.1191 -11.1137 -11.1137 -11.0677 -11.0677 -11.0655 -11.0655 -10.0981 -10.0981 -10.0773 -10.0773 -10.0710 -10.0710 -10.0561 -10.0561 -10.0175 -10.0175 -10.0117 -10.0117 3.1228 3.1228 3.5900 3.5900 6.1759 6.1759 7.3706 7.3706 8.4564 8.4564 8.5812 8.5812 9.0642 9.0642 9.5733 9.5733 9.6115 9.6115 9.7228 9.7228 9.8385 9.8385 10.0809 10.0809 10.1343 10.1343 10.3271 10.3271 11.0193 11.0193 12.5457 12.5457 k = 0.5000 0.2887 0.2010 ( 3062 PWs) bands (ev): -11.1193 -11.1193 -11.1136 -11.1136 -11.0677 -11.0677 -11.0656 -11.0656 -10.0983 -10.0983 -10.0778 -10.0778 -10.0705 -10.0705 -10.0560 -10.0560 -10.0174 -10.0174 -10.0116 -10.0116 3.0952 3.0952 3.5760 3.5760 6.2085 6.2085 7.4767 7.4767 8.4416 8.4416 8.5575 8.5575 9.0854 9.0854 9.5627 9.5627 9.6231 9.6231 9.7134 9.7134 9.8307 9.8307 10.0906 10.0906 10.1481 10.1481 10.3455 10.3455 10.9598 10.9598 12.4620 12.4620 k = 0.5000 0.2887 0.1876 ( 3058 PWs) bands (ev): -11.1194 -11.1194 -11.1134 -11.1134 -11.0678 -11.0678 -11.0656 -11.0656 -10.0984 -10.0984 -10.0786 -10.0786 -10.0698 -10.0698 -10.0560 -10.0560 -10.0172 -10.0172 -10.0115 -10.0115 3.0689 3.0689 3.5614 3.5614 6.2427 6.2427 7.5842 7.5842 8.4278 8.4278 8.5366 8.5366 9.1055 9.1055 9.5531 9.5531 9.6293 9.6293 9.7068 9.7068 9.8233 9.8233 10.0983 10.0983 10.1618 10.1618 10.3628 10.3628 10.9037 10.9037 12.3787 12.3787 k = 0.5000 0.2887 0.1742 ( 3058 PWs) bands (ev): -11.1195 -11.1195 -11.1133 -11.1133 -11.0679 -11.0679 -11.0657 -11.0657 -10.0985 -10.0985 -10.0795 -10.0795 -10.0690 -10.0690 -10.0559 -10.0559 -10.0171 -10.0171 -10.0114 -10.0114 3.0440 3.0440 3.5464 3.5464 6.2780 6.2780 7.6924 7.6924 8.4147 8.4147 8.5186 8.5186 9.1244 9.1244 9.5448 9.5448 9.6302 9.6302 9.7030 9.7030 9.8164 9.8164 10.1042 10.1042 10.1750 10.1750 10.3788 10.3788 10.8511 10.8511 12.2961 12.2961 k = 0.5000 0.2887 0.1608 ( 3062 PWs) bands (ev): -11.1196 -11.1196 -11.1132 -11.1132 -11.0679 -11.0679 -11.0657 -11.0657 -10.0985 -10.0985 -10.0804 -10.0804 -10.0682 -10.0682 -10.0559 -10.0559 -10.0169 -10.0169 -10.0114 -10.0114 3.0206 3.0206 3.5314 3.5314 6.3135 6.3135 7.8011 7.8011 8.4026 8.4026 8.5035 8.5035 9.1417 9.1417 9.5377 9.5377 9.6267 9.6267 9.7008 9.7008 9.8099 9.8099 10.1085 10.1085 10.1872 10.1872 10.3934 10.3934 10.8022 10.8022 12.2149 12.2149 k = 0.5000 0.2887 0.1474 ( 3064 PWs) bands (ev): -11.1197 -11.1197 -11.1131 -11.1131 -11.0680 -11.0680 -11.0658 -11.0658 -10.0984 -10.0984 -10.0814 -10.0814 -10.0673 -10.0673 -10.0560 -10.0560 -10.0167 -10.0167 -10.0114 -10.0114 2.9988 2.9988 3.5166 3.5166 6.3487 6.3487 7.9095 7.9095 8.3914 8.3914 8.4912 8.4912 9.1573 9.1573 9.5322 9.5322 9.6207 9.6207 9.6988 9.6988 9.8037 9.8037 10.1115 10.1115 10.1982 10.1982 10.4065 10.4065 10.7569 10.7569 12.1359 12.1359 k = 0.5000 0.2887 0.1340 ( 3068 PWs) bands (ev): -11.1198 -11.1198 -11.1130 -11.1130 -11.0680 -11.0680 -11.0658 -11.0658 -10.0983 -10.0983 -10.0824 -10.0824 -10.0665 -10.0665 -10.0560 -10.0560 -10.0164 -10.0164 -10.0114 -10.0114 2.9787 2.9787 3.5023 3.5023 6.3829 6.3829 8.0172 8.0172 8.3812 8.3812 8.4816 8.4816 9.1706 9.1706 9.5282 9.5282 9.6133 9.6133 9.6953 9.6953 9.7980 9.7980 10.1131 10.1131 10.2077 10.2077 10.4180 10.4180 10.7156 10.7156 12.0597 12.0597 k = 0.5000 0.2887 0.1206 ( 3066 PWs) bands (ev): -11.1199 -11.1199 -11.1130 -11.1130 -11.0680 -11.0680 -11.0659 -11.0659 -10.0981 -10.0981 -10.0834 -10.0834 -10.0656 -10.0656 -10.0561 -10.0561 -10.0162 -10.0162 -10.0114 -10.0114 2.9603 2.9603 3.4887 3.4887 6.4155 6.4155 8.1231 8.1231 8.3722 8.3722 8.4746 8.4746 9.1815 9.1815 9.5260 9.5260 9.6056 9.6056 9.6895 9.6895 9.7927 9.7927 10.1135 10.1135 10.2156 10.2156 10.4281 10.4281 10.6784 10.6784 11.9872 11.9872 k = 0.5000 0.2887 0.1072 ( 3068 PWs) bands (ev): -11.1200 -11.1200 -11.1129 -11.1129 -11.0681 -11.0681 -11.0660 -11.0660 -10.0979 -10.0979 -10.0844 -10.0844 -10.0649 -10.0649 -10.0562 -10.0562 -10.0159 -10.0159 -10.0115 -10.0115 2.9436 2.9436 3.4760 3.4760 6.4461 6.4461 8.2262 8.2262 8.3648 8.3648 8.4699 8.4699 9.1896 9.1896 9.5254 9.5254 9.5979 9.5979 9.6811 9.6811 9.7879 9.7879 10.1128 10.1128 10.2219 10.2219 10.4364 10.4364 10.6453 10.6453 11.9191 11.9191 k = 0.5000 0.2887 0.0938 ( 3072 PWs) bands (ev): -11.1200 -11.1200 -11.1129 -11.1129 -11.0681 -11.0681 -11.0660 -11.0660 -10.0976 -10.0976 -10.0854 -10.0854 -10.0641 -10.0641 -10.0564 -10.0564 -10.0156 -10.0156 -10.0117 -10.0117 2.9289 2.9289 3.4645 3.4645 6.4741 6.4741 8.3196 8.3196 8.3648 8.3648 8.4672 8.4672 9.1946 9.1946 9.5263 9.5263 9.5906 9.5906 9.6700 9.6700 9.7834 9.7834 10.1113 10.1113 10.2266 10.2266 10.4433 10.4433 10.6165 10.6165 11.8564 11.8564 k = 0.5000 0.2887 0.0804 ( 3072 PWs) bands (ev): -11.1201 -11.1201 -11.1128 -11.1128 -11.0681 -11.0681 -11.0661 -11.0661 -10.0972 -10.0972 -10.0863 -10.0863 -10.0634 -10.0634 -10.0566 -10.0566 -10.0153 -10.0153 -10.0118 -10.0118 2.9160 2.9160 3.4542 3.4542 6.4991 6.4991 8.3437 8.3437 8.4305 8.4305 8.4662 8.4662 9.1963 9.1963 9.5285 9.5285 9.5837 9.5837 9.6563 9.6563 9.7796 9.7796 10.1090 10.1090 10.2299 10.2299 10.4488 10.4488 10.5921 10.5921 11.7998 11.7998 k = 0.5000 0.2887 0.0670 ( 3074 PWs) bands (ev): -11.1201 -11.1201 -11.1128 -11.1128 -11.0681 -11.0681 -11.0661 -11.0661 -10.0969 -10.0969 -10.0872 -10.0872 -10.0628 -10.0628 -10.0567 -10.0567 -10.0150 -10.0150 -10.0120 -10.0120 2.9050 2.9050 3.4452 3.4452 6.5208 6.5208 8.3405 8.3405 8.4661 8.4661 8.5189 8.5189 9.1945 9.1945 9.5315 9.5315 9.5775 9.5775 9.6407 9.6407 9.7762 9.7762 10.1065 10.1065 10.2320 10.2320 10.4527 10.4527 10.5720 10.5720 11.7503 11.7503 k = 0.5000 0.2887 0.0536 ( 3074 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0662 -11.0662 -10.0965 -10.0965 -10.0880 -10.0880 -10.0622 -10.0622 -10.0570 -10.0570 -10.0147 -10.0147 -10.0122 -10.0122 2.8960 2.8960 3.4378 3.4378 6.5389 6.5389 8.3366 8.3366 8.4671 8.4671 8.6008 8.6008 9.1893 9.1893 9.5348 9.5348 9.5724 9.5724 9.6244 9.6244 9.7734 9.7734 10.1037 10.1037 10.2332 10.2332 10.4553 10.4553 10.5562 10.5562 11.7086 11.7086 k = 0.5000 0.2887 0.0402 ( 3066 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0662 -11.0662 -10.0961 -10.0961 -10.0887 -10.0887 -10.0617 -10.0617 -10.0572 -10.0572 -10.0143 -10.0143 -10.0124 -10.0124 2.8890 2.8890 3.4319 3.4319 6.5532 6.5532 8.3333 8.3333 8.4683 8.4683 8.6725 8.6725 9.1812 9.1812 9.5374 9.5374 9.5689 9.5689 9.6088 9.6088 9.7712 9.7712 10.1011 10.1011 10.2336 10.2336 10.4569 10.4569 10.5447 10.5447 11.6754 11.6754 k = 0.5000 0.2887 0.0268 ( 3066 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0958 -10.0958 -10.0893 -10.0893 -10.0613 -10.0613 -10.0573 -10.0573 -10.0141 -10.0141 -10.0126 -10.0126 2.8840 2.8840 3.4277 3.4277 6.5636 6.5636 8.3308 8.3308 8.4696 8.4696 8.7297 8.7297 9.1717 9.1717 9.5384 9.5384 9.5681 9.5681 9.5952 9.5952 9.7696 9.7696 10.0990 10.0990 10.2337 10.2337 10.4576 10.4576 10.5369 10.5369 11.6512 11.6512 k = 0.5000 0.2887 0.0134 ( 3062 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0956 -10.0956 -10.0896 -10.0896 -10.0611 -10.0611 -10.0575 -10.0575 -10.0138 -10.0138 -10.0129 -10.0129 2.8809 2.8809 3.4251 3.4251 6.5698 6.5698 8.3293 8.3293 8.4705 8.4705 8.7676 8.7676 9.1636 9.1636 9.5380 9.5380 9.5705 9.5705 9.5845 9.5845 9.7687 9.7687 10.0976 10.0976 10.2337 10.2337 10.4578 10.4578 10.5324 10.5324 11.6366 11.6366 k = 0.5000 0.2887-0.0000 ( 3068 PWs) bands (ev): -11.1202 -11.1202 -11.1127 -11.1127 -11.0681 -11.0681 -11.0663 -11.0663 -10.0955 -10.0955 -10.0898 -10.0898 -10.0610 -10.0610 -10.0575 -10.0575 -10.0137 -10.0137 -10.0129 -10.0129 2.8799 2.8799 3.4243 3.4243 6.5719 6.5719 8.3288 8.3288 8.4707 8.4707 8.7810 8.7810 9.1603 9.1603 9.5376 9.5376 9.5742 9.5742 9.5782 9.5782 9.7684 9.7684 10.0971 10.0971 10.2337 10.2337 10.4578 10.4578 10.5310 10.5310 11.6316 11.6316 k = 0.3333 0.5774-0.0000 ( 3063 PWs) bands (ev): -11.1187 -11.1187 -11.1146 -11.1146 -11.0670 -11.0670 -11.0656 -11.0656 -10.1003 -10.1003 -10.0825 -10.0825 -10.0724 -10.0724 -10.0441 -10.0441 -10.0166 -10.0166 -10.0113 -10.0113 3.5003 3.5003 3.5024 3.5024 5.7530 5.7530 7.7456 7.7456 7.8247 7.8247 8.8552 8.8552 9.1268 9.1268 9.1860 9.1860 9.8381 9.8381 9.9522 9.9522 10.1673 10.1673 10.4032 10.4032 10.4645 10.4645 10.5217 10.5217 11.5263 11.5263 11.5755 11.5755 k = 0.3333 0.5774 0.0134 ( 3054 PWs) bands (ev): -11.1187 -11.1187 -11.1146 -11.1146 -11.0670 -11.0670 -11.0655 -11.0655 -10.1003 -10.1003 -10.0824 -10.0824 -10.0724 -10.0724 -10.0441 -10.0441 -10.0166 -10.0166 -10.0113 -10.0113 3.5010 3.5010 3.5030 3.5030 5.7548 5.7548 7.7432 7.7432 7.8225 7.8225 8.8562 8.8562 9.1270 9.1270 9.1860 9.1860 9.8381 9.8381 9.9522 9.9522 10.1617 10.1617 10.4005 10.4005 10.4643 10.4643 10.5214 10.5214 11.5183 11.5183 11.5677 11.5677 k = 0.3333 0.5774 0.0268 ( 3060 PWs) bands (ev): -11.1186 -11.1186 -11.1146 -11.1146 -11.0670 -11.0670 -11.0655 -11.0655 -10.1003 -10.1003 -10.0824 -10.0824 -10.0724 -10.0724 -10.0442 -10.0442 -10.0166 -10.0166 -10.0113 -10.0113 3.5030 3.5030 3.5050 3.5050 5.7603 5.7603 7.7359 7.7359 7.8156 7.8156 8.8590 8.8590 9.1275 9.1275 9.1859 9.1859 9.8383 9.8383 9.9519 9.9519 10.1446 10.1446 10.3927 10.3927 10.4635 10.4635 10.5203 10.5203 11.4952 11.4952 11.5451 11.5451 k = 0.3333 0.5774 0.0402 ( 3060 PWs) bands (ev): -11.1186 -11.1186 -11.1146 -11.1146 -11.0670 -11.0670 -11.0655 -11.0655 -10.1003 -10.1003 -10.0823 -10.0823 -10.0724 -10.0724 -10.0443 -10.0443 -10.0166 -10.0166 -10.0114 -10.0114 3.5064 3.5064 3.5084 3.5084 5.7695 5.7695 7.7241 7.7241 7.8044 7.8044 8.8636 8.8636 9.1283 9.1283 9.1859 9.1859 9.8386 9.8386 9.9514 9.9514 10.1157 10.1157 10.3809 10.3809 10.4621 10.4621 10.5185 10.5185 11.4600 11.4600 11.5106 11.5106 k = 0.3333 0.5774 0.0536 ( 3060 PWs) bands (ev): -11.1186 -11.1186 -11.1146 -11.1146 -11.0670 -11.0670 -11.0654 -11.0654 -10.1002 -10.1002 -10.0822 -10.0822 -10.0723 -10.0723 -10.0445 -10.0445 -10.0166 -10.0166 -10.0115 -10.0115 3.5112 3.5112 3.5130 3.5130 5.7823 5.7823 7.7077 7.7077 7.7888 7.7888 8.8701 8.8701 9.1295 9.1295 9.1859 9.1859 9.8388 9.8388 9.9505 9.9505 10.0745 10.0745 10.3663 10.3663 10.4603 10.4603 10.5159 10.5159 11.4161 11.4161 11.4674 11.4674 k = 0.3333 0.5774 0.0670 ( 3054 PWs) bands (ev): -11.1186 -11.1186 -11.1146 -11.1146 -11.0671 -11.0671 -11.0654 -11.0654 -10.1001 -10.1001 -10.0820 -10.0820 -10.0723 -10.0723 -10.0447 -10.0447 -10.0166 -10.0166 -10.0116 -10.0116 3.5172 3.5172 3.5188 3.5188 5.7987 5.7987 7.6869 7.6869 7.7690 7.7690 8.8783 8.8783 9.1311 9.1311 9.1860 9.1860 9.8392 9.8392 9.9490 9.9490 10.0215 10.0215 10.3499 10.3499 10.4582 10.4582 10.5128 10.5128 11.3666 11.3666 11.4186 11.4186 k = 0.3333 0.5774 0.0804 ( 3060 PWs) bands (ev): -11.1185 -11.1185 -11.1146 -11.1146 -11.0671 -11.0671 -11.0653 -11.0653 -10.1000 -10.1000 -10.0818 -10.0818 -10.0722 -10.0722 -10.0450 -10.0450 -10.0166 -10.0166 -10.0118 -10.0118 3.5244 3.5244 3.5259 3.5259 5.8188 5.8188 7.6619 7.6619 7.7453 7.7453 8.8883 8.8883 9.1332 9.1332 9.1862 9.1862 9.8395 9.8395 9.9416 9.9416 9.9627 9.9627 10.3322 10.3322 10.4557 10.4557 10.5091 10.5091 11.3141 11.3141 11.3669 11.3670 k = 0.3333 0.5774 0.0938 ( 3057 PWs) bands (ev): -11.1185 -11.1185 -11.1146 -11.1146 -11.0671 -11.0671 -11.0652 -11.0652 -10.0999 -10.0999 -10.0816 -10.0816 -10.0721 -10.0721 -10.0453 -10.0453 -10.0167 -10.0167 -10.0119 -10.0119 3.5329 3.5329 3.5342 3.5342 5.8425 5.8425 7.6331 7.6331 7.7177 7.7177 8.9001 8.9001 9.1357 9.1357 9.1868 9.1868 9.8398 9.8398 9.8780 9.8780 9.9492 9.9492 10.3133 10.3133 10.4530 10.4530 10.5049 10.5049 11.2607 11.2607 11.3143 11.3143 k = 0.3333 0.5774 0.1072 ( 3063 PWs) bands (ev): -11.1184 -11.1184 -11.1146 -11.1146 -11.0671 -11.0671 -11.0652 -11.0652 -10.0997 -10.0997 -10.0814 -10.0814 -10.0720 -10.0720 -10.0456 -10.0456 -10.0167 -10.0167 -10.0121 -10.0121 3.5425 3.5425 3.5436 3.5436 5.8698 5.8698 7.6007 7.6007 7.6867 7.6867 8.9136 8.9136 9.1388 9.1388 9.1876 9.1876 9.7944 9.7944 9.8400 9.8400 9.9463 9.9463 10.2935 10.2935 10.4502 10.4502 10.5002 10.5002 11.2075 11.2075 11.2619 11.2619 k = 0.3333 0.5774 0.1206 ( 3057 PWs) bands (ev): -11.1184 -11.1184 -11.1147 -11.1147 -11.0671 -11.0671 -11.0651 -11.0651 -10.0996 -10.0996 -10.0811 -10.0811 -10.0720 -10.0720 -10.0460 -10.0460 -10.0168 -10.0168 -10.0123 -10.0123 3.5532 3.5532 3.5540 3.5540 5.9008 5.9008 7.5652 7.5652 7.6526 7.6526 8.9287 8.9287 9.1424 9.1424 9.1887 9.1887 9.7028 9.7028 9.8400 9.8400 9.9435 9.9435 10.2726 10.2726 10.4475 10.4475 10.4953 10.4953 11.1558 11.1558 11.2109 11.2109 k = 0.3333 0.5774 0.1340 ( 3063 PWs) bands (ev): -11.1183 -11.1183 -11.1147 -11.1147 -11.0671 -11.0671 -11.0650 -11.0650 -10.0994 -10.0994 -10.0809 -10.0809 -10.0719 -10.0719 -10.0465 -10.0465 -10.0168 -10.0168 -10.0126 -10.0126 3.5649 3.5649 3.5654 3.5654 5.9352 5.9352 7.5268 7.5268 7.6157 7.6157 8.9454 8.9454 9.1465 9.1465 9.1899 9.1899 9.6051 9.6051 9.8398 9.8398 9.9401 9.9401 10.2503 10.2503 10.4448 10.4448 10.4901 10.4901 11.1060 11.1060 11.1618 11.1618 k = 0.3333 0.5774 0.1474 ( 3063 PWs) bands (ev): -11.1182 -11.1182 -11.1147 -11.1147 -11.0671 -11.0671 -11.0649 -11.0649 -10.0992 -10.0992 -10.0806 -10.0806 -10.0718 -10.0718 -10.0469 -10.0469 -10.0168 -10.0168 -10.0128 -10.0128 3.5775 3.5775 3.5776 3.5776 5.9733 5.9733 7.4861 7.4861 7.5764 7.5764 8.9635 8.9635 9.1512 9.1512 9.1909 9.1909 9.5033 9.5033 9.8393 9.8393 9.9361 9.9361 10.2268 10.2268 10.4426 10.4426 10.4849 10.4849 11.0584 11.0584 11.1150 11.1150 k = 0.3333 0.5774 0.1608 ( 3060 PWs) bands (ev): -11.1182 -11.1182 -11.1147 -11.1147 -11.0671 -11.0671 -11.0649 -11.0649 -10.0990 -10.0990 -10.0802 -10.0802 -10.0717 -10.0717 -10.0474 -10.0474 -10.0169 -10.0169 -10.0131 -10.0131 3.5906 3.5906 3.5908 3.5908 6.0148 6.0148 7.4435 7.4435 7.5351 7.5351 8.9828 8.9828 9.1564 9.1564 9.1900 9.1900 9.4000 9.4000 9.8387 9.8387 9.9316 9.9316 10.2017 10.2017 10.4410 10.4410 10.4799 10.4799 11.0134 11.0134 11.0705 11.0705 k = 0.3333 0.5774 0.1742 ( 3069 PWs) bands (ev): -11.1181 -11.1181 -11.1147 -11.1147 -11.0671 -11.0671 -11.0648 -11.0648 -10.0987 -10.0987 -10.0799 -10.0799 -10.0717 -10.0717 -10.0478 -10.0478 -10.0169 -10.0169 -10.0134 -10.0134 3.6043 3.6043 3.6049 3.6049 6.0599 6.0599 7.3994 7.3994 7.4925 7.4925 9.0023 9.0023 9.1622 9.1622 9.1807 9.1807 9.3037 9.3037 9.8374 9.8374 9.9260 9.9260 10.1755 10.1755 10.4399 10.4399 10.4749 10.4749 10.9709 10.9709 11.0286 11.0286 k = 0.3333 0.5774 0.1876 ( 3069 PWs) bands (ev): -11.1180 -11.1180 -11.1147 -11.1147 -11.0671 -11.0671 -11.0647 -11.0647 -10.0985 -10.0985 -10.0796 -10.0796 -10.0716 -10.0716 -10.0483 -10.0483 -10.0170 -10.0170 -10.0136 -10.0136 3.6184 3.6184 3.6195 3.6195 6.1084 6.1084 7.3545 7.3545 7.4488 7.4488 9.0188 9.0188 9.1355 9.1355 9.1684 9.1684 9.2459 9.2459 9.8359 9.8359 9.9198 9.9198 10.1480 10.1480 10.4394 10.4394 10.4704 10.4704 10.9310 10.9310 10.9892 10.9892 k = 0.3333 0.5774 0.2010 ( 3069 PWs) bands (ev): -11.1179 -11.1179 -11.1148 -11.1148 -11.0670 -11.0670 -11.0647 -11.0647 -10.0982 -10.0982 -10.0792 -10.0792 -10.0716 -10.0716 -10.0488 -10.0488 -10.0170 -10.0170 -10.0139 -10.0139 3.6330 3.6330 3.6345 3.6345 6.1603 6.1603 7.3090 7.3090 7.4047 7.4047 8.9986 8.9986 9.0814 9.0814 9.1751 9.1751 9.2341 9.2341 9.8340 9.8340 9.9128 9.9128 10.1192 10.1192 10.4398 10.4398 10.4663 10.4663 10.8936 10.8936 10.9521 10.9521 k = 0.3333 0.5774 0.2144 ( 3054 PWs) bands (ev): -11.1179 -11.1179 -11.1148 -11.1148 -11.0670 -11.0670 -11.0646 -11.0646 -10.0980 -10.0980 -10.0788 -10.0788 -10.0716 -10.0716 -10.0493 -10.0493 -10.0171 -10.0171 -10.0142 -10.0142 3.6478 3.6478 3.6497 3.6497 6.2156 6.2156 7.2637 7.2637 7.3606 7.3606 8.9031 8.9031 9.0903 9.0903 9.1822 9.1822 9.2354 9.2354 9.8316 9.8316 9.9051 9.9051 10.0894 10.0894 10.4411 10.4411 10.4628 10.4628 10.8587 10.8587 10.9173 10.9173 k = 0.3333 0.5774 0.2278 ( 3054 PWs) bands (ev): -11.1178 -11.1178 -11.1148 -11.1148 -11.0670 -11.0670 -11.0646 -11.0646 -10.0977 -10.0977 -10.0785 -10.0785 -10.0716 -10.0716 -10.0498 -10.0498 -10.0172 -10.0172 -10.0145 -10.0145 3.6627 3.6627 3.6651 3.6651 6.2743 6.2743 7.2189 7.2189 7.3169 7.3169 8.7905 8.7905 9.1134 9.1134 9.1895 9.1895 9.2405 9.2405 9.8288 9.8288 9.8966 9.8966 10.0585 10.0585 10.4433 10.4433 10.4600 10.4600 10.8260 10.8260 10.8846 10.8846 k = 0.3333 0.5774 0.2412 ( 3054 PWs) bands (ev): -11.1177 -11.1177 -11.1148 -11.1148 -11.0669 -11.0669 -11.0645 -11.0645 -10.0974 -10.0974 -10.0781 -10.0781 -10.0716 -10.0716 -10.0502 -10.0502 -10.0172 -10.0172 -10.0148 -10.0148 3.6775 3.6775 3.6803 3.6803 6.3362 6.3362 7.1750 7.1750 7.2743 7.2743 8.6744 8.6744 9.1395 9.1395 9.1970 9.1970 9.2477 9.2477 9.8257 9.8257 9.8875 9.8875 10.0264 10.0264 10.4464 10.4464 10.4580 10.4580 10.7955 10.7955 10.8540 10.8540 k = 0.3333 0.5774 0.2546 ( 3054 PWs) bands (ev): -11.1176 -11.1176 -11.1148 -11.1148 -11.0668 -11.0668 -11.0645 -11.0645 -10.0971 -10.0971 -10.0778 -10.0778 -10.0716 -10.0716 -10.0507 -10.0507 -10.0173 -10.0173 -10.0151 -10.0151 3.6920 3.6920 3.6954 3.6954 6.4014 6.4014 7.1327 7.1327 7.2331 7.2331 8.5574 8.5574 9.1666 9.1666 9.2046 9.2046 9.2567 9.2567 9.8221 9.8221 9.8776 9.8776 9.9939 9.9939 10.4506 10.4506 10.4569 10.4569 10.7670 10.7670 10.8252 10.8252 k = 0.3333 0.5774 0.2680 ( 3057 PWs) bands (ev): -11.1176 -11.1176 -11.1148 -11.1148 -11.0668 -11.0668 -11.0645 -11.0645 -10.0968 -10.0968 -10.0775 -10.0775 -10.0717 -10.0717 -10.0511 -10.0511 -10.0173 -10.0173 -10.0154 -10.0154 3.7061 3.7061 3.7100 3.7100 6.4697 6.4697 7.0922 7.0922 7.1939 7.1939 8.4402 8.4402 9.1933 9.1933 9.2121 9.2121 9.2677 9.2677 9.8183 9.8183 9.8668 9.8668 9.9611 9.9611 10.4557 10.4557 10.4569 10.4569 10.7404 10.7404 10.7981 10.7981 k = 0.3333 0.5774 0.2814 ( 3063 PWs) bands (ev): -11.1175 -11.1175 -11.1149 -11.1149 -11.0667 -11.0667 -11.0645 -11.0645 -10.0965 -10.0965 -10.0772 -10.0772 -10.0717 -10.0717 -10.0515 -10.0515 -10.0173 -10.0173 -10.0156 -10.0156 3.7196 3.7196 3.7239 3.7239 6.5409 6.5409 7.0541 7.0541 7.1571 7.1571 8.3237 8.3237 9.2179 9.2179 9.2196 9.2196 9.2822 9.2822 9.8143 9.8143 9.8545 9.8545 9.9289 9.9289 10.4577 10.4577 10.4617 10.4617 10.7157 10.7157 10.7727 10.7727 k = 0.3333 0.5774 0.2948 ( 3063 PWs) bands (ev): -11.1175 -11.1175 -11.1149 -11.1149 -11.0667 -11.0667 -11.0645 -11.0645 -10.0962 -10.0962 -10.0769 -10.0769 -10.0718 -10.0718 -10.0518 -10.0518 -10.0174 -10.0174 -10.0159 -10.0159 3.7323 3.7323 3.7371 3.7371 6.6151 6.6151 7.0188 7.0188 7.1233 7.1233 8.2081 8.2081 9.2268 9.2268 9.2384 9.2384 9.3021 9.3021 9.8102 9.8102 9.8396 9.8396 9.8989 9.8989 10.4594 10.4594 10.4685 10.4685 10.6929 10.6929 10.7489 10.7489 k = 0.3333 0.5774 0.3082 ( 3057 PWs) bands (ev): -11.1174 -11.1174 -11.1149 -11.1149 -11.0666 -11.0666 -11.0645 -11.0645 -10.0960 -10.0960 -10.0766 -10.0766 -10.0719 -10.0719 -10.0521 -10.0521 -10.0174 -10.0174 -10.0161 -10.0161 3.7440 3.7440 3.7492 3.7492 6.6917 6.6917 6.9867 6.9867 7.0930 7.0930 8.0938 8.0938 9.2336 9.2336 9.2537 9.2537 9.3278 9.3278 9.8061 9.8061 9.8191 9.8191 9.8742 9.8742 10.4621 10.4621 10.4761 10.4761 10.6719 10.6719 10.7268 10.7268 k = 0.3333 0.5774 0.3216 ( 3057 PWs) bands (ev): -11.1174 -11.1174 -11.1149 -11.1149 -11.0665 -11.0665 -11.0645 -11.0645 -10.0957 -10.0957 -10.0764 -10.0764 -10.0720 -10.0720 -10.0524 -10.0524 -10.0175 -10.0175 -10.0163 -10.0163 3.7546 3.7546 3.7602 3.7602 6.7702 6.7702 6.9581 6.9581 7.0672 7.0672 7.9812 7.9812 9.2398 9.2398 9.2650 9.2650 9.3579 9.3579 9.7914 9.7914 9.8023 9.8023 9.8567 9.8567 10.4657 10.4657 10.4842 10.4842 10.6525 10.6525 10.7062 10.7062 k = 0.3333 0.5774 0.3350 ( 3054 PWs) bands (ev): -11.1173 -11.1173 -11.1149 -11.1149 -11.0665 -11.0665 -11.0645 -11.0645 -10.0955 -10.0955 -10.0762 -10.0762 -10.0721 -10.0721 -10.0526 -10.0526 -10.0175 -10.0175 -10.0165 -10.0165 3.7638 3.7638 3.7698 3.7698 6.8489 6.8489 6.9333 6.9333 7.0478 7.0478 7.8705 7.8705 9.2454 9.2454 9.2737 9.2737 9.3909 9.3909 9.7587 9.7587 9.7987 9.7987 9.8447 9.8447 10.4699 10.4699 10.4928 10.4928 10.6351 10.6351 10.6873 10.6873 k = 0.3333 0.5774 0.3484 ( 3054 PWs) bands (ev): -11.1173 -11.1173 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0953 -10.0953 -10.0760 -10.0760 -10.0721 -10.0721 -10.0528 -10.0528 -10.0175 -10.0175 -10.0166 -10.0166 3.7716 3.7716 3.7779 3.7779 6.9126 6.9126 6.9208 6.9208 7.0415 7.0415 7.7621 7.7621 9.2501 9.2501 9.2804 9.2804 9.4256 9.4256 9.7233 9.7233 9.7955 9.7955 9.8360 9.8360 10.4745 10.4745 10.5015 10.5015 10.6197 10.6197 10.6702 10.6702 k = 0.3333 0.5774 0.3618 ( 3060 PWs) bands (ev): -11.1173 -11.1173 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0952 -10.0952 -10.0758 -10.0758 -10.0722 -10.0722 -10.0530 -10.0530 -10.0175 -10.0175 -10.0167 -10.0167 3.7778 3.7778 3.7843 3.7843 6.8962 6.8962 6.9616 6.9616 7.0726 7.0726 7.6566 7.6566 9.2539 9.2539 9.2856 9.2856 9.4614 9.4614 9.6865 9.6865 9.7929 9.7929 9.8296 9.8296 10.4792 10.4792 10.5098 10.5098 10.6067 10.6067 10.6555 10.6555 k = 0.3333 0.5774 0.3752 ( 3072 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0950 -10.0950 -10.0757 -10.0757 -10.0723 -10.0723 -10.0531 -10.0531 -10.0176 -10.0176 -10.0168 -10.0168 3.7823 3.7823 3.7890 3.7890 6.8844 6.8844 6.9675 6.9675 7.1439 7.1439 7.5554 7.5554 9.2567 9.2567 9.2892 9.2892 9.4980 9.4980 9.6493 9.6493 9.7909 9.7909 9.8250 9.8250 10.4833 10.4833 10.5168 10.5168 10.5966 10.5966 10.6438 10.6438 k = 0.3333 0.5774 0.3886 ( 3066 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0950 -10.0950 -10.0757 -10.0757 -10.0723 -10.0723 -10.0531 -10.0531 -10.0176 -10.0176 -10.0169 -10.0169 3.7850 3.7850 3.7919 3.7919 6.8772 6.8772 6.9655 6.9655 7.2236 7.2236 7.4631 7.4631 9.2585 9.2585 9.2915 9.2915 9.5348 9.5348 9.6120 9.6120 9.7897 9.7897 9.8223 9.8223 10.4863 10.4863 10.5219 10.5219 10.5901 10.5901 10.6360 10.6360 k = 0.3333 0.5774 0.4020 ( 3078 PWs) bands (ev): -11.1172 -11.1172 -11.1149 -11.1149 -11.0664 -11.0664 -11.0645 -11.0645 -10.0949 -10.0949 -10.0757 -10.0757 -10.0723 -10.0723 -10.0531 -10.0531 -10.0176 -10.0176 -10.0169 -10.0169 3.7860 3.7860 3.7928 3.7928 6.8748 6.8748 6.9644 6.9644 7.2720 7.2720 7.4109 7.4109 9.2590 9.2590 9.2922 9.2922 9.5653 9.5653 9.5812 9.5812 9.7893 9.7893 9.8214 9.8214 10.4874 10.4874 10.5238 10.5238 10.5878 10.5878 10.6332 10.6332 Writing output data file FeSn.save init_run : 0.19s CPU 0.31s WALL ( 1 calls) electrons : 112.27s CPU 113.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 112.26s CPU 113.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 337 calls) cegterg : 100.64s CPU 101.92s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 58.47s CPU 59.60s WALL ( 5664 calls) s_psi : 4.23s CPU 4.20s WALL ( 5664 calls) g_psi : 0.16s CPU 0.15s WALL ( 4951 calls) cdiaghg : 36.59s CPU 37.11s WALL ( 5288 calls) cegterg:over : 4.17s CPU 4.05s WALL ( 4951 calls) cegterg:upda : 2.89s CPU 2.77s WALL ( 4951 calls) cegterg:last : 1.93s CPU 1.96s WALL ( 1050 calls) cdiaghg:chol : 2.07s CPU 2.05s WALL ( 5288 calls) cdiaghg:inve : 1.36s CPU 1.36s WALL ( 5288 calls) cdiaghg:para : 2.06s CPU 2.20s WALL ( 10576 calls) Called by h_psi: h_psi:vloc : 49.42s CPU 50.40s WALL ( 5664 calls) h_psi:vnl : 8.96s CPU 9.05s WALL ( 5664 calls) add_vuspsi : 4.65s CPU 4.83s WALL ( 5664 calls) General routines calbec : 4.29s CPU 4.21s WALL ( 5664 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.24s CPU 47.36s WALL ( 707868 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.17s WALL ( 674 calls) Parallel routines fft_scatter : 17.56s CPU 17.94s WALL ( 707891 calls) PWSCF : 2m 6.86s CPU 2m19.57s WALL This run was terminated on: 18:26:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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