Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:10:54 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: ./FeN.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 16 9 3 526 217 39 Max 17 10 4 535 238 45 Sum 595 349 109 19037 8305 1485 bravais-lattice index = 14 lattice parameter (alat) = 5.2100 a.u. unit-cell volume = 196.7018 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.209975 celldm(2)= 1.000000 celldm(3)= 1.606094 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 1.606094 ) 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 0.622629 ) 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) N 5.00 14.00670 N( 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 ) ( -0.8030468 ) 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 ) ( 0.8030468 ) 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 ) ( -0.8030468 ) 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 ) ( -0.8030468 ) 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 ) ( 0.8030468 ) 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 ) ( 0.8030468 ) 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 ) ( 0.8030468 ) 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 ) ( -0.8030468 ) 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 ) ( 0.8030468 ) 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 ) ( 0.8030468 ) 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 ) ( -0.8030468 ) 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 ) ( -0.8030468 ) 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= 477 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 2) = ( 0.0075758 0.0043739 -0.0000000), wk = 0.0020964 k( 3) = ( 0.0151515 0.0087477 -0.0000000), wk = 0.0020964 k( 4) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0020964 k( 5) = ( 0.0303030 0.0174955 -0.0000000), wk = 0.0020964 k( 6) = ( 0.0378788 0.0218693 -0.0000000), wk = 0.0020964 k( 7) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0020964 k( 8) = ( 0.0530303 0.0306171 -0.0000000), wk = 0.0020964 k( 9) = ( 0.0606061 0.0349909 -0.0000000), wk = 0.0020964 k( 10) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0020964 k( 11) = ( 0.0757576 0.0437387 -0.0000000), wk = 0.0020964 k( 12) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0020964 k( 13) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0020964 k( 14) = ( 0.0984848 0.0568603 -0.0000000), wk = 0.0020964 k( 15) = ( 0.1060606 0.0612341 -0.0000000), wk = 0.0020964 k( 16) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0020964 k( 17) = ( 0.1212121 0.0699819 -0.0000000), wk = 0.0020964 k( 18) = ( 0.1287879 0.0743557 -0.0000000), wk = 0.0020964 k( 19) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0020964 k( 20) = ( 0.1439394 0.0831034 -0.0000000), wk = 0.0020964 k( 21) = ( 0.1515151 0.0874773 -0.0000000), wk = 0.0020964 k( 22) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0020964 k( 23) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0020964 k( 24) = ( 0.1742424 0.1005989 -0.0000000), wk = 0.0020964 k( 25) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0020964 k( 26) = ( 0.1893939 0.1093466 -0.0000000), wk = 0.0020964 k( 27) = ( 0.1969697 0.1137205 -0.0000000), wk = 0.0020964 k( 28) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0020964 k( 29) = ( 0.2121212 0.1224682 -0.0000000), wk = 0.0020964 k( 30) = ( 0.2196970 0.1268421 -0.0000000), wk = 0.0020964 k( 31) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0020964 k( 32) = ( 0.2348485 0.1355898 -0.0000000), wk = 0.0020964 k( 33) = ( 0.2424242 0.1399637 -0.0000000), wk = 0.0020964 k( 34) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020964 k( 35) = ( 0.2575758 0.1487114 -0.0000000), wk = 0.0020964 k( 36) = ( 0.2651515 0.1530853 -0.0000000), wk = 0.0020964 k( 37) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0020964 k( 38) = ( 0.2803030 0.1618330 -0.0000000), wk = 0.0020964 k( 39) = ( 0.2878788 0.1662069 -0.0000000), wk = 0.0020964 k( 40) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0020964 k( 41) = ( 0.3030303 0.1749546 -0.0000000), wk = 0.0020964 k( 42) = ( 0.3106061 0.1793285 -0.0000000), wk = 0.0020964 k( 43) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0020964 k( 44) = ( 0.3257576 0.1880762 -0.0000000), wk = 0.0020964 k( 45) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0020964 k( 46) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0020964 k( 47) = ( 0.3484849 0.2011978 -0.0000000), wk = 0.0020964 k( 48) = ( 0.3560606 0.2055717 -0.0000000), wk = 0.0020964 k( 49) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0020964 k( 50) = ( 0.3712121 0.2143194 -0.0000000), wk = 0.0020964 k( 51) = ( 0.3787879 0.2186933 -0.0000000), wk = 0.0020964 k( 52) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0020964 k( 53) = ( 0.3939394 0.2274410 -0.0000000), wk = 0.0020964 k( 54) = ( 0.4015151 0.2318149 -0.0000000), wk = 0.0020964 k( 55) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0020964 k( 56) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0020964 k( 57) = ( 0.4242424 0.2449365 -0.0000000), wk = 0.0020964 k( 58) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0020964 k( 59) = ( 0.4393939 0.2536842 -0.0000000), wk = 0.0020964 k( 60) = ( 0.4469697 0.2580581 -0.0000000), wk = 0.0020964 k( 61) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0020964 k( 62) = ( 0.4621212 0.2668058 -0.0000000), wk = 0.0020964 k( 63) = ( 0.4696970 0.2711797 -0.0000000), wk = 0.0020964 k( 64) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0020964 k( 65) = ( 0.4848485 0.2799274 -0.0000000), wk = 0.0020964 k( 66) = ( 0.4924242 0.2843013 -0.0000000), wk = 0.0020964 k( 67) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020964 k( 68) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020964 k( 69) = ( 0.4956140 0.2962719 -0.0000000), wk = 0.0020964 k( 70) = ( 0.4912281 0.3038686 -0.0000000), wk = 0.0020964 k( 71) = ( 0.4868421 0.3114653 -0.0000000), wk = 0.0020964 k( 72) = ( 0.4824561 0.3190620 -0.0000000), wk = 0.0020964 k( 73) = ( 0.4780702 0.3266587 -0.0000000), wk = 0.0020964 k( 74) = ( 0.4736842 0.3342554 -0.0000000), wk = 0.0020964 k( 75) = ( 0.4692982 0.3418521 -0.0000000), wk = 0.0020964 k( 76) = ( 0.4649123 0.3494488 -0.0000000), wk = 0.0020964 k( 77) = ( 0.4605263 0.3570456 -0.0000000), wk = 0.0020964 k( 78) = ( 0.4561404 0.3646423 -0.0000000), wk = 0.0020964 k( 79) = ( 0.4517544 0.3722390 -0.0000000), wk = 0.0020964 k( 80) = ( 0.4473684 0.3798357 -0.0000000), wk = 0.0020964 k( 81) = ( 0.4429825 0.3874324 -0.0000000), wk = 0.0020964 k( 82) = ( 0.4385965 0.3950291 -0.0000000), wk = 0.0020964 k( 83) = ( 0.4342105 0.4026259 -0.0000000), wk = 0.0020964 k( 84) = ( 0.4298246 0.4102226 -0.0000000), wk = 0.0020964 k( 85) = ( 0.4254386 0.4178193 -0.0000000), wk = 0.0020964 k( 86) = ( 0.4210526 0.4254160 -0.0000000), wk = 0.0020964 k( 87) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0020964 k( 88) = ( 0.4122807 0.4406094 -0.0000000), wk = 0.0020964 k( 89) = ( 0.4078947 0.4482061 -0.0000000), wk = 0.0020964 k( 90) = ( 0.4035088 0.4558028 -0.0000000), wk = 0.0020964 k( 91) = ( 0.3991228 0.4633996 -0.0000000), wk = 0.0020964 k( 92) = ( 0.3947368 0.4709963 -0.0000000), wk = 0.0020964 k( 93) = ( 0.3903509 0.4785930 -0.0000000), wk = 0.0020964 k( 94) = ( 0.3859649 0.4861897 -0.0000000), wk = 0.0020964 k( 95) = ( 0.3815789 0.4937864 -0.0000000), wk = 0.0020964 k( 96) = ( 0.3771930 0.5013831 -0.0000000), wk = 0.0020964 k( 97) = ( 0.3728070 0.5089798 -0.0000000), wk = 0.0020964 k( 98) = ( 0.3684211 0.5165765 -0.0000000), wk = 0.0020964 k( 99) = ( 0.3640351 0.5241733 -0.0000000), wk = 0.0020964 k( 100) = ( 0.3596491 0.5317700 -0.0000000), wk = 0.0020964 k( 101) = ( 0.3552632 0.5393667 -0.0000000), wk = 0.0020964 k( 102) = ( 0.3508772 0.5469634 -0.0000000), wk = 0.0020964 k( 103) = ( 0.3464912 0.5545601 -0.0000000), wk = 0.0020964 k( 104) = ( 0.3421053 0.5621568 -0.0000000), wk = 0.0020964 k( 105) = ( 0.3377193 0.5697536 -0.0000000), wk = 0.0020964 k( 106) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020964 k( 107) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020964 k( 108) = ( 0.3289474 0.5697536 -0.0000000), wk = 0.0020964 k( 109) = ( 0.3245614 0.5621568 -0.0000000), wk = 0.0020964 k( 110) = ( 0.3201754 0.5545601 -0.0000000), wk = 0.0020964 k( 111) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0020964 k( 112) = ( 0.3114035 0.5393667 -0.0000000), wk = 0.0020964 k( 113) = ( 0.3070175 0.5317700 -0.0000000), wk = 0.0020964 k( 114) = ( 0.3026316 0.5241733 -0.0000000), wk = 0.0020964 k( 115) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0020964 k( 116) = ( 0.2938596 0.5089798 -0.0000000), wk = 0.0020964 k( 117) = ( 0.2894737 0.5013831 -0.0000000), wk = 0.0020964 k( 118) = ( 0.2850877 0.4937864 -0.0000000), wk = 0.0020964 k( 119) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0020964 k( 120) = ( 0.2763158 0.4785930 -0.0000000), wk = 0.0020964 k( 121) = ( 0.2719298 0.4709963 -0.0000000), wk = 0.0020964 k( 122) = ( 0.2675439 0.4633996 -0.0000000), wk = 0.0020964 k( 123) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0020964 k( 124) = ( 0.2587719 0.4482061 -0.0000000), wk = 0.0020964 k( 125) = ( 0.2543860 0.4406094 -0.0000000), wk = 0.0020964 k( 126) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0020964 k( 127) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0020964 k( 128) = ( 0.2412281 0.4178193 -0.0000000), wk = 0.0020964 k( 129) = ( 0.2368421 0.4102226 -0.0000000), wk = 0.0020964 k( 130) = ( 0.2324561 0.4026258 -0.0000000), wk = 0.0020964 k( 131) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0020964 k( 132) = ( 0.2236842 0.3874324 -0.0000000), wk = 0.0020964 k( 133) = ( 0.2192983 0.3798357 -0.0000000), wk = 0.0020964 k( 134) = ( 0.2149123 0.3722390 -0.0000000), wk = 0.0020964 k( 135) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0020964 k( 136) = ( 0.2061403 0.3570456 -0.0000000), wk = 0.0020964 k( 137) = ( 0.2017544 0.3494489 -0.0000000), wk = 0.0020964 k( 138) = ( 0.1973684 0.3418521 -0.0000000), wk = 0.0020964 k( 139) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0020964 k( 140) = ( 0.1885965 0.3266587 -0.0000000), wk = 0.0020964 k( 141) = ( 0.1842105 0.3190620 -0.0000000), wk = 0.0020964 k( 142) = ( 0.1798246 0.3114653 -0.0000000), wk = 0.0020964 k( 143) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0020964 k( 144) = ( 0.1710526 0.2962718 -0.0000000), wk = 0.0020964 k( 145) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020964 k( 146) = ( 0.1622807 0.2810784 -0.0000000), wk = 0.0020964 k( 147) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0020964 k( 148) = ( 0.1535088 0.2658850 -0.0000000), wk = 0.0020964 k( 149) = ( 0.1491228 0.2582883 -0.0000000), wk = 0.0020964 k( 150) = ( 0.1447368 0.2506916 -0.0000000), wk = 0.0020964 k( 151) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0020964 k( 152) = ( 0.1359649 0.2354981 -0.0000000), wk = 0.0020964 k( 153) = ( 0.1315790 0.2279014 -0.0000000), wk = 0.0020964 k( 154) = ( 0.1271930 0.2203047 -0.0000000), wk = 0.0020964 k( 155) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0020964 k( 156) = ( 0.1184210 0.2051113 -0.0000000), wk = 0.0020964 k( 157) = ( 0.1140351 0.1975146 -0.0000000), wk = 0.0020964 k( 158) = ( 0.1096491 0.1899178 -0.0000000), wk = 0.0020964 k( 159) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0020964 k( 160) = ( 0.1008772 0.1747244 -0.0000000), wk = 0.0020964 k( 161) = ( 0.0964912 0.1671277 -0.0000000), wk = 0.0020964 k( 162) = ( 0.0921053 0.1595310 -0.0000000), wk = 0.0020964 k( 163) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0020964 k( 164) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0020964 k( 165) = ( 0.0789474 0.1367409 -0.0000000), wk = 0.0020964 k( 166) = ( 0.0745614 0.1291441 -0.0000000), wk = 0.0020964 k( 167) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0020964 k( 168) = ( 0.0657895 0.1139507 -0.0000000), wk = 0.0020964 k( 169) = ( 0.0614035 0.1063540 -0.0000000), wk = 0.0020964 k( 170) = ( 0.0570175 0.0987573 -0.0000000), wk = 0.0020964 k( 171) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0020964 k( 172) = ( 0.0482456 0.0835638 -0.0000000), wk = 0.0020964 k( 173) = ( 0.0438597 0.0759671 -0.0000000), wk = 0.0020964 k( 174) = ( 0.0394737 0.0683704 -0.0000000), wk = 0.0020964 k( 175) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0020964 k( 176) = ( 0.0307017 0.0531770 -0.0000000), wk = 0.0020964 k( 177) = ( 0.0263158 0.0455803 -0.0000000), wk = 0.0020964 k( 178) = ( 0.0219298 0.0379836 -0.0000000), wk = 0.0020964 k( 179) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0020964 k( 180) = ( 0.0131579 0.0227901 -0.0000000), wk = 0.0020964 k( 181) = ( 0.0087719 0.0151934 -0.0000000), wk = 0.0020964 k( 182) = ( 0.0043860 0.0075967 -0.0000000), wk = 0.0020964 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 185) = ( 0.0000000 0.0000000 0.0086476), wk = 0.0020964 k( 186) = ( 0.0000000 0.0000000 0.0172952), wk = 0.0020964 k( 187) = ( 0.0000000 0.0000000 0.0259429), wk = 0.0020964 k( 188) = ( 0.0000000 0.0000000 0.0345905), wk = 0.0020964 k( 189) = ( 0.0000000 0.0000000 0.0432381), wk = 0.0020964 k( 190) = ( 0.0000000 0.0000000 0.0518857), wk = 0.0020964 k( 191) = ( 0.0000000 0.0000000 0.0605333), wk = 0.0020964 k( 192) = ( 0.0000000 0.0000000 0.0691810), wk = 0.0020964 k( 193) = ( 0.0000000 0.0000000 0.0778286), wk = 0.0020964 k( 194) = ( 0.0000000 0.0000000 0.0864762), wk = 0.0020964 k( 195) = ( 0.0000000 0.0000000 0.0951238), wk = 0.0020964 k( 196) = ( 0.0000000 0.0000000 0.1037715), wk = 0.0020964 k( 197) = ( 0.0000000 0.0000000 0.1124191), wk = 0.0020964 k( 198) = ( 0.0000000 0.0000000 0.1210667), wk = 0.0020964 k( 199) = ( 0.0000000 0.0000000 0.1297143), wk = 0.0020964 k( 200) = ( 0.0000000 0.0000000 0.1383619), wk = 0.0020964 k( 201) = ( 0.0000000 0.0000000 0.1470096), wk = 0.0020964 k( 202) = ( 0.0000000 0.0000000 0.1556572), wk = 0.0020964 k( 203) = ( 0.0000000 0.0000000 0.1643048), wk = 0.0020964 k( 204) = ( 0.0000000 0.0000000 0.1729524), wk = 0.0020964 k( 205) = ( 0.0000000 0.0000000 0.1816000), wk = 0.0020964 k( 206) = ( 0.0000000 0.0000000 0.1902477), wk = 0.0020964 k( 207) = ( 0.0000000 0.0000000 0.1988953), wk = 0.0020964 k( 208) = ( 0.0000000 0.0000000 0.2075429), wk = 0.0020964 k( 209) = ( 0.0000000 0.0000000 0.2161905), wk = 0.0020964 k( 210) = ( 0.0000000 0.0000000 0.2248382), wk = 0.0020964 k( 211) = ( 0.0000000 0.0000000 0.2334858), wk = 0.0020964 k( 212) = ( 0.0000000 0.0000000 0.2421334), wk = 0.0020964 k( 213) = ( 0.0000000 0.0000000 0.2507810), wk = 0.0020964 k( 214) = ( 0.0000000 0.0000000 0.2594286), wk = 0.0020964 k( 215) = ( 0.0000000 0.0000000 0.2680763), wk = 0.0020964 k( 216) = ( 0.0000000 0.0000000 0.2767239), wk = 0.0020964 k( 217) = ( 0.0000000 0.0000000 0.2853715), wk = 0.0020964 k( 218) = ( 0.0000000 0.0000000 0.2940191), wk = 0.0020964 k( 219) = ( 0.0000000 0.0000000 0.3026667), wk = 0.0020964 k( 220) = ( 0.0000000 0.0000000 0.3113144), wk = 0.0020964 k( 221) = ( 0.0000000 0.0000000 0.3113144), wk = 0.0020964 k( 222) = ( 0.0075758 0.0043739 0.3113144), wk = 0.0020964 k( 223) = ( 0.0151515 0.0087477 0.3113144), wk = 0.0020964 k( 224) = ( 0.0227273 0.0131216 0.3113144), wk = 0.0020964 k( 225) = ( 0.0303030 0.0174955 0.3113144), wk = 0.0020964 k( 226) = ( 0.0378788 0.0218693 0.3113144), wk = 0.0020964 k( 227) = ( 0.0454546 0.0262432 0.3113144), wk = 0.0020964 k( 228) = ( 0.0530303 0.0306171 0.3113144), wk = 0.0020964 k( 229) = ( 0.0606061 0.0349909 0.3113144), wk = 0.0020964 k( 230) = ( 0.0681818 0.0393648 0.3113144), wk = 0.0020964 k( 231) = ( 0.0757576 0.0437387 0.3113144), wk = 0.0020964 k( 232) = ( 0.0833333 0.0481125 0.3113144), wk = 0.0020964 k( 233) = ( 0.0909091 0.0524864 0.3113144), wk = 0.0020964 k( 234) = ( 0.0984848 0.0568603 0.3113144), wk = 0.0020964 k( 235) = ( 0.1060606 0.0612341 0.3113144), wk = 0.0020964 k( 236) = ( 0.1136364 0.0656080 0.3113144), wk = 0.0020964 k( 237) = ( 0.1212121 0.0699819 0.3113144), wk = 0.0020964 k( 238) = ( 0.1287879 0.0743557 0.3113144), wk = 0.0020964 k( 239) = ( 0.1363636 0.0787296 0.3113144), wk = 0.0020964 k( 240) = ( 0.1439394 0.0831034 0.3113144), wk = 0.0020964 k( 241) = ( 0.1515151 0.0874773 0.3113144), wk = 0.0020964 k( 242) = ( 0.1590909 0.0918512 0.3113144), wk = 0.0020964 k( 243) = ( 0.1666667 0.0962250 0.3113144), wk = 0.0020964 k( 244) = ( 0.1742424 0.1005989 0.3113144), wk = 0.0020964 k( 245) = ( 0.1818182 0.1049728 0.3113144), wk = 0.0020964 k( 246) = ( 0.1893939 0.1093466 0.3113144), wk = 0.0020964 k( 247) = ( 0.1969697 0.1137205 0.3113144), wk = 0.0020964 k( 248) = ( 0.2045454 0.1180944 0.3113144), wk = 0.0020964 k( 249) = ( 0.2121212 0.1224682 0.3113144), wk = 0.0020964 k( 250) = ( 0.2196970 0.1268421 0.3113144), wk = 0.0020964 k( 251) = ( 0.2272727 0.1312160 0.3113144), wk = 0.0020964 k( 252) = ( 0.2348485 0.1355898 0.3113144), wk = 0.0020964 k( 253) = ( 0.2424242 0.1399637 0.3113144), wk = 0.0020964 k( 254) = ( 0.2500000 0.1443376 0.3113144), wk = 0.0020964 k( 255) = ( 0.2575758 0.1487114 0.3113144), wk = 0.0020964 k( 256) = ( 0.2651515 0.1530853 0.3113144), wk = 0.0020964 k( 257) = ( 0.2727273 0.1574592 0.3113144), wk = 0.0020964 k( 258) = ( 0.2803030 0.1618330 0.3113144), wk = 0.0020964 k( 259) = ( 0.2878788 0.1662069 0.3113144), wk = 0.0020964 k( 260) = ( 0.2954545 0.1705808 0.3113144), wk = 0.0020964 k( 261) = ( 0.3030303 0.1749546 0.3113144), wk = 0.0020964 k( 262) = ( 0.3106061 0.1793285 0.3113144), wk = 0.0020964 k( 263) = ( 0.3181818 0.1837024 0.3113144), wk = 0.0020964 k( 264) = ( 0.3257576 0.1880762 0.3113144), wk = 0.0020964 k( 265) = ( 0.3333333 0.1924501 0.3113144), wk = 0.0020964 k( 266) = ( 0.3409091 0.1968240 0.3113144), wk = 0.0020964 k( 267) = ( 0.3484849 0.2011978 0.3113144), wk = 0.0020964 k( 268) = ( 0.3560606 0.2055717 0.3113144), wk = 0.0020964 k( 269) = ( 0.3636364 0.2099456 0.3113144), wk = 0.0020964 k( 270) = ( 0.3712121 0.2143194 0.3113144), wk = 0.0020964 k( 271) = ( 0.3787879 0.2186933 0.3113144), wk = 0.0020964 k( 272) = ( 0.3863636 0.2230672 0.3113144), wk = 0.0020964 k( 273) = ( 0.3939394 0.2274410 0.3113144), wk = 0.0020964 k( 274) = ( 0.4015151 0.2318149 0.3113144), wk = 0.0020964 k( 275) = ( 0.4090909 0.2361887 0.3113144), wk = 0.0020964 k( 276) = ( 0.4166667 0.2405626 0.3113144), wk = 0.0020964 k( 277) = ( 0.4242424 0.2449365 0.3113144), wk = 0.0020964 k( 278) = ( 0.4318182 0.2493103 0.3113144), wk = 0.0020964 k( 279) = ( 0.4393939 0.2536842 0.3113144), wk = 0.0020964 k( 280) = ( 0.4469697 0.2580581 0.3113144), wk = 0.0020964 k( 281) = ( 0.4545455 0.2624319 0.3113144), wk = 0.0020964 k( 282) = ( 0.4621212 0.2668058 0.3113144), wk = 0.0020964 k( 283) = ( 0.4696970 0.2711797 0.3113144), wk = 0.0020964 k( 284) = ( 0.4772727 0.2755535 0.3113144), wk = 0.0020964 k( 285) = ( 0.4848485 0.2799274 0.3113144), wk = 0.0020964 k( 286) = ( 0.4924242 0.2843013 0.3113144), wk = 0.0020964 k( 287) = ( 0.5000000 0.2886751 0.3113144), wk = 0.0020964 k( 288) = ( 0.5000000 0.2886751 0.3113144), wk = 0.0020964 k( 289) = ( 0.4956140 0.2962719 0.3113144), wk = 0.0020964 k( 290) = ( 0.4912281 0.3038686 0.3113144), wk = 0.0020964 k( 291) = ( 0.4868421 0.3114653 0.3113144), wk = 0.0020964 k( 292) = ( 0.4824561 0.3190620 0.3113144), wk = 0.0020964 k( 293) = ( 0.4780702 0.3266587 0.3113144), wk = 0.0020964 k( 294) = ( 0.4736842 0.3342554 0.3113144), wk = 0.0020964 k( 295) = ( 0.4692982 0.3418521 0.3113144), wk = 0.0020964 k( 296) = ( 0.4649123 0.3494488 0.3113144), wk = 0.0020964 k( 297) = ( 0.4605263 0.3570456 0.3113144), wk = 0.0020964 k( 298) = ( 0.4561404 0.3646423 0.3113144), wk = 0.0020964 k( 299) = ( 0.4517544 0.3722390 0.3113144), wk = 0.0020964 k( 300) = ( 0.4473684 0.3798357 0.3113144), wk = 0.0020964 k( 301) = ( 0.4429825 0.3874324 0.3113144), wk = 0.0020964 k( 302) = ( 0.4385965 0.3950291 0.3113144), wk = 0.0020964 k( 303) = ( 0.4342105 0.4026259 0.3113144), wk = 0.0020964 k( 304) = ( 0.4298246 0.4102226 0.3113144), wk = 0.0020964 k( 305) = ( 0.4254386 0.4178193 0.3113144), wk = 0.0020964 k( 306) = ( 0.4210526 0.4254160 0.3113144), wk = 0.0020964 k( 307) = ( 0.4166667 0.4330127 0.3113144), wk = 0.0020964 k( 308) = ( 0.4122807 0.4406094 0.3113144), wk = 0.0020964 k( 309) = ( 0.4078947 0.4482061 0.3113144), wk = 0.0020964 k( 310) = ( 0.4035088 0.4558028 0.3113144), wk = 0.0020964 k( 311) = ( 0.3991228 0.4633996 0.3113144), wk = 0.0020964 k( 312) = ( 0.3947368 0.4709963 0.3113144), wk = 0.0020964 k( 313) = ( 0.3903509 0.4785930 0.3113144), wk = 0.0020964 k( 314) = ( 0.3859649 0.4861897 0.3113144), wk = 0.0020964 k( 315) = ( 0.3815789 0.4937864 0.3113144), wk = 0.0020964 k( 316) = ( 0.3771930 0.5013831 0.3113144), wk = 0.0020964 k( 317) = ( 0.3728070 0.5089798 0.3113144), wk = 0.0020964 k( 318) = ( 0.3684211 0.5165765 0.3113144), wk = 0.0020964 k( 319) = ( 0.3640351 0.5241733 0.3113144), wk = 0.0020964 k( 320) = ( 0.3596491 0.5317700 0.3113144), wk = 0.0020964 k( 321) = ( 0.3552632 0.5393667 0.3113144), wk = 0.0020964 k( 322) = ( 0.3508772 0.5469634 0.3113144), wk = 0.0020964 k( 323) = ( 0.3464912 0.5545601 0.3113144), wk = 0.0020964 k( 324) = ( 0.3421053 0.5621568 0.3113144), wk = 0.0020964 k( 325) = ( 0.3377193 0.5697536 0.3113144), wk = 0.0020964 k( 326) = ( 0.3333333 0.5773503 0.3113144), wk = 0.0020964 k( 327) = ( 0.3333333 0.5773503 0.3113144), wk = 0.0020964 k( 328) = ( 0.3289474 0.5697536 0.3113144), wk = 0.0020964 k( 329) = ( 0.3245614 0.5621568 0.3113144), wk = 0.0020964 k( 330) = ( 0.3201754 0.5545601 0.3113144), wk = 0.0020964 k( 331) = ( 0.3157895 0.5469634 0.3113144), wk = 0.0020964 k( 332) = ( 0.3114035 0.5393667 0.3113144), wk = 0.0020964 k( 333) = ( 0.3070175 0.5317700 0.3113144), wk = 0.0020964 k( 334) = ( 0.3026316 0.5241733 0.3113144), wk = 0.0020964 k( 335) = ( 0.2982456 0.5165765 0.3113144), wk = 0.0020964 k( 336) = ( 0.2938596 0.5089798 0.3113144), wk = 0.0020964 k( 337) = ( 0.2894737 0.5013831 0.3113144), wk = 0.0020964 k( 338) = ( 0.2850877 0.4937864 0.3113144), wk = 0.0020964 k( 339) = ( 0.2807018 0.4861897 0.3113144), wk = 0.0020964 k( 340) = ( 0.2763158 0.4785930 0.3113144), wk = 0.0020964 k( 341) = ( 0.2719298 0.4709963 0.3113144), wk = 0.0020964 k( 342) = ( 0.2675439 0.4633996 0.3113144), wk = 0.0020964 k( 343) = ( 0.2631579 0.4558028 0.3113144), wk = 0.0020964 k( 344) = ( 0.2587719 0.4482061 0.3113144), wk = 0.0020964 k( 345) = ( 0.2543860 0.4406094 0.3113144), wk = 0.0020964 k( 346) = ( 0.2500000 0.4330127 0.3113144), wk = 0.0020964 k( 347) = ( 0.2456140 0.4254160 0.3113144), wk = 0.0020964 k( 348) = ( 0.2412281 0.4178193 0.3113144), wk = 0.0020964 k( 349) = ( 0.2368421 0.4102226 0.3113144), wk = 0.0020964 k( 350) = ( 0.2324561 0.4026258 0.3113144), wk = 0.0020964 k( 351) = ( 0.2280702 0.3950291 0.3113144), wk = 0.0020964 k( 352) = ( 0.2236842 0.3874324 0.3113144), wk = 0.0020964 k( 353) = ( 0.2192983 0.3798357 0.3113144), wk = 0.0020964 k( 354) = ( 0.2149123 0.3722390 0.3113144), wk = 0.0020964 k( 355) = ( 0.2105263 0.3646423 0.3113144), wk = 0.0020964 k( 356) = ( 0.2061403 0.3570456 0.3113144), wk = 0.0020964 k( 357) = ( 0.2017544 0.3494489 0.3113144), wk = 0.0020964 k( 358) = ( 0.1973684 0.3418521 0.3113144), wk = 0.0020964 k( 359) = ( 0.1929825 0.3342554 0.3113144), wk = 0.0020964 k( 360) = ( 0.1885965 0.3266587 0.3113144), wk = 0.0020964 k( 361) = ( 0.1842105 0.3190620 0.3113144), wk = 0.0020964 k( 362) = ( 0.1798246 0.3114653 0.3113144), wk = 0.0020964 k( 363) = ( 0.1754386 0.3038686 0.3113144), wk = 0.0020964 k( 364) = ( 0.1710526 0.2962718 0.3113144), wk = 0.0020964 k( 365) = ( 0.1666667 0.2886751 0.3113144), wk = 0.0020964 k( 366) = ( 0.1622807 0.2810784 0.3113144), wk = 0.0020964 k( 367) = ( 0.1578947 0.2734817 0.3113144), wk = 0.0020964 k( 368) = ( 0.1535088 0.2658850 0.3113144), wk = 0.0020964 k( 369) = ( 0.1491228 0.2582883 0.3113144), wk = 0.0020964 k( 370) = ( 0.1447368 0.2506916 0.3113144), wk = 0.0020964 k( 371) = ( 0.1403509 0.2430949 0.3113144), wk = 0.0020964 k( 372) = ( 0.1359649 0.2354981 0.3113144), wk = 0.0020964 k( 373) = ( 0.1315790 0.2279014 0.3113144), wk = 0.0020964 k( 374) = ( 0.1271930 0.2203047 0.3113144), wk = 0.0020964 k( 375) = ( 0.1228070 0.2127080 0.3113144), wk = 0.0020964 k( 376) = ( 0.1184210 0.2051113 0.3113144), wk = 0.0020964 k( 377) = ( 0.1140351 0.1975146 0.3113144), wk = 0.0020964 k( 378) = ( 0.1096491 0.1899178 0.3113144), wk = 0.0020964 k( 379) = ( 0.1052632 0.1823211 0.3113144), wk = 0.0020964 k( 380) = ( 0.1008772 0.1747244 0.3113144), wk = 0.0020964 k( 381) = ( 0.0964912 0.1671277 0.3113144), wk = 0.0020964 k( 382) = ( 0.0921053 0.1595310 0.3113144), wk = 0.0020964 k( 383) = ( 0.0877193 0.1519343 0.3113144), wk = 0.0020964 k( 384) = ( 0.0833333 0.1443376 0.3113144), wk = 0.0020964 k( 385) = ( 0.0789474 0.1367409 0.3113144), wk = 0.0020964 k( 386) = ( 0.0745614 0.1291441 0.3113144), wk = 0.0020964 k( 387) = ( 0.0701754 0.1215474 0.3113144), wk = 0.0020964 k( 388) = ( 0.0657895 0.1139507 0.3113144), wk = 0.0020964 k( 389) = ( 0.0614035 0.1063540 0.3113144), wk = 0.0020964 k( 390) = ( 0.0570175 0.0987573 0.3113144), wk = 0.0020964 k( 391) = ( 0.0526316 0.0911606 0.3113144), wk = 0.0020964 k( 392) = ( 0.0482456 0.0835638 0.3113144), wk = 0.0020964 k( 393) = ( 0.0438597 0.0759671 0.3113144), wk = 0.0020964 k( 394) = ( 0.0394737 0.0683704 0.3113144), wk = 0.0020964 k( 395) = ( 0.0350877 0.0607737 0.3113144), wk = 0.0020964 k( 396) = ( 0.0307017 0.0531770 0.3113144), wk = 0.0020964 k( 397) = ( 0.0263158 0.0455803 0.3113144), wk = 0.0020964 k( 398) = ( 0.0219298 0.0379836 0.3113144), wk = 0.0020964 k( 399) = ( 0.0175439 0.0303869 0.3113144), wk = 0.0020964 k( 400) = ( 0.0131579 0.0227901 0.3113144), wk = 0.0020964 k( 401) = ( 0.0087719 0.0151934 0.3113144), wk = 0.0020964 k( 402) = ( 0.0043860 0.0075967 0.3113144), wk = 0.0020964 k( 403) = ( 0.0000000 0.0000000 0.3113144), wk = 0.0020964 k( 404) = ( 0.5000000 0.2886751 0.3113144), wk = 0.0020964 k( 405) = ( 0.5000000 0.2886751 0.3026667), wk = 0.0020964 k( 406) = ( 0.5000000 0.2886751 0.2940191), wk = 0.0020964 k( 407) = ( 0.5000000 0.2886751 0.2853715), wk = 0.0020964 k( 408) = ( 0.5000000 0.2886751 0.2767239), wk = 0.0020964 k( 409) = ( 0.5000000 0.2886751 0.2680763), wk = 0.0020964 k( 410) = ( 0.5000000 0.2886751 0.2594286), wk = 0.0020964 k( 411) = ( 0.5000000 0.2886751 0.2507810), wk = 0.0020964 k( 412) = ( 0.5000000 0.2886751 0.2421334), wk = 0.0020964 k( 413) = ( 0.5000000 0.2886751 0.2334858), wk = 0.0020964 k( 414) = ( 0.5000000 0.2886751 0.2248382), wk = 0.0020964 k( 415) = ( 0.5000000 0.2886751 0.2161905), wk = 0.0020964 k( 416) = ( 0.5000000 0.2886751 0.2075429), wk = 0.0020964 k( 417) = ( 0.5000000 0.2886751 0.1988953), wk = 0.0020964 k( 418) = ( 0.5000000 0.2886751 0.1902477), wk = 0.0020964 k( 419) = ( 0.5000000 0.2886751 0.1816000), wk = 0.0020964 k( 420) = ( 0.5000000 0.2886751 0.1729524), wk = 0.0020964 k( 421) = ( 0.5000000 0.2886751 0.1643048), wk = 0.0020964 k( 422) = ( 0.5000000 0.2886751 0.1556572), wk = 0.0020964 k( 423) = ( 0.5000000 0.2886751 0.1470096), wk = 0.0020964 k( 424) = ( 0.5000000 0.2886751 0.1383619), wk = 0.0020964 k( 425) = ( 0.5000000 0.2886751 0.1297143), wk = 0.0020964 k( 426) = ( 0.5000000 0.2886751 0.1210667), wk = 0.0020964 k( 427) = ( 0.5000000 0.2886751 0.1124191), wk = 0.0020964 k( 428) = ( 0.5000000 0.2886751 0.1037715), wk = 0.0020964 k( 429) = ( 0.5000000 0.2886751 0.0951238), wk = 0.0020964 k( 430) = ( 0.5000000 0.2886751 0.0864762), wk = 0.0020964 k( 431) = ( 0.5000000 0.2886751 0.0778286), wk = 0.0020964 k( 432) = ( 0.5000000 0.2886751 0.0691810), wk = 0.0020964 k( 433) = ( 0.5000000 0.2886751 0.0605333), wk = 0.0020964 k( 434) = ( 0.5000000 0.2886751 0.0518857), wk = 0.0020964 k( 435) = ( 0.5000000 0.2886751 0.0432381), wk = 0.0020964 k( 436) = ( 0.5000000 0.2886751 0.0345905), wk = 0.0020964 k( 437) = ( 0.5000000 0.2886751 0.0259429), wk = 0.0020964 k( 438) = ( 0.5000000 0.2886751 0.0172952), wk = 0.0020964 k( 439) = ( 0.5000000 0.2886751 0.0086476), wk = 0.0020964 k( 440) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020964 k( 441) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020964 k( 442) = ( 0.3333333 0.5773503 0.0086476), wk = 0.0020964 k( 443) = ( 0.3333333 0.5773503 0.0172952), wk = 0.0020964 k( 444) = ( 0.3333333 0.5773503 0.0259429), wk = 0.0020964 k( 445) = ( 0.3333333 0.5773503 0.0345905), wk = 0.0020964 k( 446) = ( 0.3333333 0.5773503 0.0432381), wk = 0.0020964 k( 447) = ( 0.3333333 0.5773503 0.0518857), wk = 0.0020964 k( 448) = ( 0.3333333 0.5773503 0.0605333), wk = 0.0020964 k( 449) = ( 0.3333333 0.5773503 0.0691810), wk = 0.0020964 k( 450) = ( 0.3333333 0.5773503 0.0778286), wk = 0.0020964 k( 451) = ( 0.3333333 0.5773503 0.0864762), wk = 0.0020964 k( 452) = ( 0.3333333 0.5773503 0.0951238), wk = 0.0020964 k( 453) = ( 0.3333333 0.5773503 0.1037715), wk = 0.0020964 k( 454) = ( 0.3333333 0.5773503 0.1124191), wk = 0.0020964 k( 455) = ( 0.3333333 0.5773503 0.1210667), wk = 0.0020964 k( 456) = ( 0.3333333 0.5773503 0.1297143), wk = 0.0020964 k( 457) = ( 0.3333333 0.5773503 0.1383619), wk = 0.0020964 k( 458) = ( 0.3333333 0.5773503 0.1470096), wk = 0.0020964 k( 459) = ( 0.3333333 0.5773503 0.1556572), wk = 0.0020964 k( 460) = ( 0.3333333 0.5773503 0.1643048), wk = 0.0020964 k( 461) = ( 0.3333333 0.5773503 0.1729524), wk = 0.0020964 k( 462) = ( 0.3333333 0.5773503 0.1816000), wk = 0.0020964 k( 463) = ( 0.3333333 0.5773503 0.1902477), wk = 0.0020964 k( 464) = ( 0.3333333 0.5773503 0.1988953), wk = 0.0020964 k( 465) = ( 0.3333333 0.5773503 0.2075429), wk = 0.0020964 k( 466) = ( 0.3333333 0.5773503 0.2161905), wk = 0.0020964 k( 467) = ( 0.3333333 0.5773503 0.2248382), wk = 0.0020964 k( 468) = ( 0.3333333 0.5773503 0.2334858), wk = 0.0020964 k( 469) = ( 0.3333333 0.5773503 0.2421334), wk = 0.0020964 k( 470) = ( 0.3333333 0.5773503 0.2507810), wk = 0.0020964 k( 471) = ( 0.3333333 0.5773503 0.2594286), wk = 0.0020964 k( 472) = ( 0.3333333 0.5773503 0.2680763), wk = 0.0020964 k( 473) = ( 0.3333333 0.5773503 0.2767239), wk = 0.0020964 k( 474) = ( 0.3333333 0.5773503 0.2853715), wk = 0.0020964 k( 475) = ( 0.3333333 0.5773503 0.2940191), wk = 0.0020964 k( 476) = ( 0.3333333 0.5773503 0.3026667), wk = 0.0020964 k( 477) = ( 0.3333333 0.5773503 0.3113144), wk = 0.0020964 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 2) = ( 0.0075758 -0.0000000 0.0000000), wk = 0.0020964 k( 3) = ( 0.0151515 -0.0000000 0.0000000), wk = 0.0020964 k( 4) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0020964 k( 5) = ( 0.0303030 -0.0000000 -0.0000000), wk = 0.0020964 k( 6) = ( 0.0378788 -0.0000000 -0.0000000), wk = 0.0020964 k( 7) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0020964 k( 8) = ( 0.0530303 -0.0000000 0.0000000), wk = 0.0020964 k( 9) = ( 0.0606061 -0.0000000 -0.0000000), wk = 0.0020964 k( 10) = ( 0.0681818 -0.0000000 0.0000000), wk = 0.0020964 k( 11) = ( 0.0757576 -0.0000000 -0.0000000), wk = 0.0020964 k( 12) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0020964 k( 13) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0020964 k( 14) = ( 0.0984848 -0.0000000 0.0000000), wk = 0.0020964 k( 15) = ( 0.1060606 -0.0000000 -0.0000000), wk = 0.0020964 k( 16) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0020964 k( 17) = ( 0.1212121 -0.0000000 -0.0000000), wk = 0.0020964 k( 18) = ( 0.1287879 -0.0000000 0.0000000), wk = 0.0020964 k( 19) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0020964 k( 20) = ( 0.1439394 -0.0000000 0.0000000), wk = 0.0020964 k( 21) = ( 0.1515151 -0.0000000 0.0000000), wk = 0.0020964 k( 22) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0020964 k( 23) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0020964 k( 24) = ( 0.1742424 -0.0000000 -0.0000000), wk = 0.0020964 k( 25) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0020964 k( 26) = ( 0.1893939 -0.0000000 0.0000000), wk = 0.0020964 k( 27) = ( 0.1969697 -0.0000000 0.0000000), wk = 0.0020964 k( 28) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0020964 k( 29) = ( 0.2121212 -0.0000000 0.0000000), wk = 0.0020964 k( 30) = ( 0.2196970 -0.0000000 -0.0000000), wk = 0.0020964 k( 31) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0020964 k( 32) = ( 0.2348485 -0.0000000 -0.0000000), wk = 0.0020964 k( 33) = ( 0.2424242 -0.0000000 -0.0000000), wk = 0.0020964 k( 34) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0020964 k( 35) = ( 0.2575758 -0.0000000 0.0000000), wk = 0.0020964 k( 36) = ( 0.2651515 -0.0000000 -0.0000000), wk = 0.0020964 k( 37) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0020964 k( 38) = ( 0.2803030 -0.0000000 0.0000000), wk = 0.0020964 k( 39) = ( 0.2878788 -0.0000000 -0.0000000), wk = 0.0020964 k( 40) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0020964 k( 41) = ( 0.3030303 -0.0000000 0.0000000), wk = 0.0020964 k( 42) = ( 0.3106061 -0.0000000 0.0000000), wk = 0.0020964 k( 43) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0020964 k( 44) = ( 0.3257576 -0.0000000 -0.0000000), wk = 0.0020964 k( 45) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0020964 k( 46) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0020964 k( 47) = ( 0.3484849 -0.0000000 -0.0000000), wk = 0.0020964 k( 48) = ( 0.3560606 -0.0000000 -0.0000000), wk = 0.0020964 k( 49) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0020964 k( 50) = ( 0.3712121 0.0000000 0.0000000), wk = 0.0020964 k( 51) = ( 0.3787879 -0.0000000 0.0000000), wk = 0.0020964 k( 52) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0020964 k( 53) = ( 0.3939394 -0.0000000 0.0000000), wk = 0.0020964 k( 54) = ( 0.4015151 -0.0000000 -0.0000000), wk = 0.0020964 k( 55) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0020964 k( 56) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0020964 k( 57) = ( 0.4242424 -0.0000000 0.0000000), wk = 0.0020964 k( 58) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0020964 k( 59) = ( 0.4393939 -0.0000000 -0.0000000), wk = 0.0020964 k( 60) = ( 0.4469697 -0.0000000 -0.0000000), wk = 0.0020964 k( 61) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0020964 k( 62) = ( 0.4621212 -0.0000000 -0.0000000), wk = 0.0020964 k( 63) = ( 0.4696970 -0.0000000 -0.0000000), wk = 0.0020964 k( 64) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0020964 k( 65) = ( 0.4848485 -0.0000000 -0.0000000), wk = 0.0020964 k( 66) = ( 0.4924242 -0.0000000 -0.0000000), wk = 0.0020964 k( 67) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020964 k( 68) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020964 k( 69) = ( 0.4956140 0.0087719 0.0000000), wk = 0.0020964 k( 70) = ( 0.4912281 0.0175439 0.0000000), wk = 0.0020964 k( 71) = ( 0.4868421 0.0263158 0.0000000), wk = 0.0020964 k( 72) = ( 0.4824561 0.0350877 -0.0000000), wk = 0.0020964 k( 73) = ( 0.4780702 0.0438596 -0.0000000), wk = 0.0020964 k( 74) = ( 0.4736842 0.0526316 -0.0000000), wk = 0.0020964 k( 75) = ( 0.4692982 0.0614035 0.0000000), wk = 0.0020964 k( 76) = ( 0.4649123 0.0701754 0.0000000), wk = 0.0020964 k( 77) = ( 0.4605263 0.0789474 -0.0000000), wk = 0.0020964 k( 78) = ( 0.4561404 0.0877193 0.0000000), wk = 0.0020964 k( 79) = ( 0.4517544 0.0964912 -0.0000000), wk = 0.0020964 k( 80) = ( 0.4473684 0.1052632 0.0000000), wk = 0.0020964 k( 81) = ( 0.4429825 0.1140351 -0.0000000), wk = 0.0020964 k( 82) = ( 0.4385965 0.1228070 -0.0000000), wk = 0.0020964 k( 83) = ( 0.4342105 0.1315790 0.0000000), wk = 0.0020964 k( 84) = ( 0.4298246 0.1403509 -0.0000000), wk = 0.0020964 k( 85) = ( 0.4254386 0.1491228 -0.0000000), wk = 0.0020964 k( 86) = ( 0.4210526 0.1578947 0.0000000), wk = 0.0020964 k( 87) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0020964 k( 88) = ( 0.4122807 0.1754386 -0.0000000), wk = 0.0020964 k( 89) = ( 0.4078947 0.1842105 -0.0000000), wk = 0.0020964 k( 90) = ( 0.4035088 0.1929825 -0.0000000), wk = 0.0020964 k( 91) = ( 0.3991228 0.2017544 -0.0000000), wk = 0.0020964 k( 92) = ( 0.3947368 0.2105263 0.0000000), wk = 0.0020964 k( 93) = ( 0.3903509 0.2192982 -0.0000000), wk = 0.0020964 k( 94) = ( 0.3859649 0.2280702 -0.0000000), wk = 0.0020964 k( 95) = ( 0.3815789 0.2368421 0.0000000), wk = 0.0020964 k( 96) = ( 0.3771930 0.2456140 0.0000000), wk = 0.0020964 k( 97) = ( 0.3728070 0.2543860 0.0000000), wk = 0.0020964 k( 98) = ( 0.3684211 0.2631579 -0.0000000), wk = 0.0020964 k( 99) = ( 0.3640351 0.2719298 -0.0000000), wk = 0.0020964 k( 100) = ( 0.3596491 0.2807017 -0.0000000), wk = 0.0020964 k( 101) = ( 0.3552632 0.2894737 -0.0000000), wk = 0.0020964 k( 102) = ( 0.3508772 0.2982456 -0.0000000), wk = 0.0020964 k( 103) = ( 0.3464912 0.3070175 -0.0000000), wk = 0.0020964 k( 104) = ( 0.3421053 0.3157895 0.0000000), wk = 0.0020964 k( 105) = ( 0.3377193 0.3245614 -0.0000000), wk = 0.0020964 k( 106) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020964 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020964 k( 108) = ( 0.3289474 0.3289474 0.0000000), wk = 0.0020964 k( 109) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0020964 k( 110) = ( 0.3201754 0.3201754 -0.0000000), wk = 0.0020964 k( 111) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0020964 k( 112) = ( 0.3114035 0.3114035 -0.0000000), wk = 0.0020964 k( 113) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0020964 k( 114) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0020964 k( 115) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0020964 k( 116) = ( 0.2938596 0.2938596 -0.0000000), wk = 0.0020964 k( 117) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0020964 k( 118) = ( 0.2850877 0.2850877 0.0000000), wk = 0.0020964 k( 119) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0020964 k( 120) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0020964 k( 121) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0020964 k( 122) = ( 0.2675439 0.2675439 0.0000000), wk = 0.0020964 k( 123) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0020964 k( 124) = ( 0.2587719 0.2587719 0.0000000), wk = 0.0020964 k( 125) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0020964 k( 126) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020964 k( 127) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0020964 k( 128) = ( 0.2412281 0.2412281 -0.0000000), wk = 0.0020964 k( 129) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0020964 k( 130) = ( 0.2324561 0.2324561 0.0000000), wk = 0.0020964 k( 131) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0020964 k( 132) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0020964 k( 133) = ( 0.2192983 0.2192983 -0.0000000), wk = 0.0020964 k( 134) = ( 0.2149123 0.2149123 0.0000000), wk = 0.0020964 k( 135) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0020964 k( 136) = ( 0.2061403 0.2061403 0.0000000), wk = 0.0020964 k( 137) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0020964 k( 138) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0020964 k( 139) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0020964 k( 140) = ( 0.1885965 0.1885965 0.0000000), wk = 0.0020964 k( 141) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0020964 k( 142) = ( 0.1798246 0.1798246 -0.0000000), wk = 0.0020964 k( 143) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0020964 k( 144) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0020964 k( 145) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0020964 k( 146) = ( 0.1622807 0.1622807 -0.0000000), wk = 0.0020964 k( 147) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0020964 k( 148) = ( 0.1535088 0.1535088 0.0000000), wk = 0.0020964 k( 149) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0020964 k( 150) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0020964 k( 151) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0020964 k( 152) = ( 0.1359649 0.1359649 -0.0000000), wk = 0.0020964 k( 153) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0020964 k( 154) = ( 0.1271930 0.1271930 -0.0000000), wk = 0.0020964 k( 155) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0020964 k( 156) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0020964 k( 157) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0020964 k( 158) = ( 0.1096491 0.1096491 -0.0000000), wk = 0.0020964 k( 159) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0020964 k( 160) = ( 0.1008772 0.1008772 -0.0000000), wk = 0.0020964 k( 161) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0020964 k( 162) = ( 0.0921053 0.0921053 0.0000000), wk = 0.0020964 k( 163) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0020964 k( 164) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0020964 k( 165) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0020964 k( 166) = ( 0.0745614 0.0745614 -0.0000000), wk = 0.0020964 k( 167) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0020964 k( 168) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0020964 k( 169) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0020964 k( 170) = ( 0.0570175 0.0570175 -0.0000000), wk = 0.0020964 k( 171) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0020964 k( 172) = ( 0.0482456 0.0482456 0.0000000), wk = 0.0020964 k( 173) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0020964 k( 174) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0020964 k( 175) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0020964 k( 176) = ( 0.0307017 0.0307017 0.0000000), wk = 0.0020964 k( 177) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0020964 k( 178) = ( 0.0219298 0.0219298 0.0000000), wk = 0.0020964 k( 179) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0020964 k( 180) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0020964 k( 181) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0020964 k( 182) = ( 0.0043860 0.0043860 -0.0000000), wk = 0.0020964 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020964 k( 185) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0020964 k( 186) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0020964 k( 187) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020964 k( 188) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0020964 k( 189) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0020964 k( 190) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020964 k( 191) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0020964 k( 192) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0020964 k( 193) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020964 k( 194) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0020964 k( 195) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0020964 k( 196) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020964 k( 197) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0020964 k( 198) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0020964 k( 199) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020964 k( 200) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0020964 k( 201) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0020964 k( 202) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020964 k( 203) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0020964 k( 204) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0020964 k( 205) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020964 k( 206) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0020964 k( 207) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0020964 k( 208) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020964 k( 209) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0020964 k( 210) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0020964 k( 211) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020964 k( 212) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0020964 k( 213) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0020964 k( 214) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020964 k( 215) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0020964 k( 216) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0020964 k( 217) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020964 k( 218) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0020964 k( 219) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0020964 k( 220) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020964 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020964 k( 222) = ( 0.0075758 -0.0000000 0.5000000), wk = 0.0020964 k( 223) = ( 0.0151515 -0.0000000 0.5000000), wk = 0.0020964 k( 224) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0020964 k( 225) = ( 0.0303030 -0.0000000 0.5000000), wk = 0.0020964 k( 226) = ( 0.0378788 -0.0000000 0.5000000), wk = 0.0020964 k( 227) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0020964 k( 228) = ( 0.0530303 -0.0000000 0.5000000), wk = 0.0020964 k( 229) = ( 0.0606061 -0.0000000 0.5000000), wk = 0.0020964 k( 230) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0020964 k( 231) = ( 0.0757576 -0.0000000 0.5000000), wk = 0.0020964 k( 232) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0020964 k( 233) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0020964 k( 234) = ( 0.0984848 -0.0000000 0.5000000), wk = 0.0020964 k( 235) = ( 0.1060606 -0.0000000 0.5000000), wk = 0.0020964 k( 236) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0020964 k( 237) = ( 0.1212121 -0.0000000 0.5000000), wk = 0.0020964 k( 238) = ( 0.1287879 -0.0000000 0.5000000), wk = 0.0020964 k( 239) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0020964 k( 240) = ( 0.1439394 -0.0000000 0.5000000), wk = 0.0020964 k( 241) = ( 0.1515151 -0.0000000 0.5000000), wk = 0.0020964 k( 242) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0020964 k( 243) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0020964 k( 244) = ( 0.1742424 -0.0000000 0.5000000), wk = 0.0020964 k( 245) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0020964 k( 246) = ( 0.1893939 -0.0000000 0.5000000), wk = 0.0020964 k( 247) = ( 0.1969697 -0.0000000 0.5000000), wk = 0.0020964 k( 248) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0020964 k( 249) = ( 0.2121212 -0.0000000 0.5000000), wk = 0.0020964 k( 250) = ( 0.2196970 -0.0000000 0.5000000), wk = 0.0020964 k( 251) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0020964 k( 252) = ( 0.2348485 -0.0000000 0.5000000), wk = 0.0020964 k( 253) = ( 0.2424242 -0.0000000 0.5000000), wk = 0.0020964 k( 254) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020964 k( 255) = ( 0.2575758 -0.0000000 0.5000000), wk = 0.0020964 k( 256) = ( 0.2651515 -0.0000000 0.5000000), wk = 0.0020964 k( 257) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0020964 k( 258) = ( 0.2803030 -0.0000000 0.5000000), wk = 0.0020964 k( 259) = ( 0.2878788 -0.0000000 0.5000000), wk = 0.0020964 k( 260) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0020964 k( 261) = ( 0.3030303 -0.0000000 0.5000000), wk = 0.0020964 k( 262) = ( 0.3106061 -0.0000000 0.5000000), wk = 0.0020964 k( 263) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0020964 k( 264) = ( 0.3257576 -0.0000000 0.5000000), wk = 0.0020964 k( 265) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0020964 k( 266) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0020964 k( 267) = ( 0.3484849 -0.0000000 0.5000000), wk = 0.0020964 k( 268) = ( 0.3560606 -0.0000000 0.5000000), wk = 0.0020964 k( 269) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0020964 k( 270) = ( 0.3712121 0.0000000 0.5000000), wk = 0.0020964 k( 271) = ( 0.3787879 -0.0000000 0.5000000), wk = 0.0020964 k( 272) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0020964 k( 273) = ( 0.3939394 -0.0000000 0.5000000), wk = 0.0020964 k( 274) = ( 0.4015151 -0.0000000 0.5000000), wk = 0.0020964 k( 275) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0020964 k( 276) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0020964 k( 277) = ( 0.4242424 -0.0000000 0.5000000), wk = 0.0020964 k( 278) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0020964 k( 279) = ( 0.4393939 -0.0000000 0.5000000), wk = 0.0020964 k( 280) = ( 0.4469697 -0.0000000 0.5000000), wk = 0.0020964 k( 281) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0020964 k( 282) = ( 0.4621212 -0.0000000 0.5000000), wk = 0.0020964 k( 283) = ( 0.4696970 -0.0000000 0.5000000), wk = 0.0020964 k( 284) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0020964 k( 285) = ( 0.4848485 -0.0000000 0.5000000), wk = 0.0020964 k( 286) = ( 0.4924242 -0.0000000 0.5000000), wk = 0.0020964 k( 287) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020964 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020964 k( 289) = ( 0.4956140 0.0087719 0.5000000), wk = 0.0020964 k( 290) = ( 0.4912281 0.0175439 0.5000000), wk = 0.0020964 k( 291) = ( 0.4868421 0.0263158 0.5000000), wk = 0.0020964 k( 292) = ( 0.4824561 0.0350877 0.5000000), wk = 0.0020964 k( 293) = ( 0.4780702 0.0438596 0.5000000), wk = 0.0020964 k( 294) = ( 0.4736842 0.0526316 0.5000000), wk = 0.0020964 k( 295) = ( 0.4692982 0.0614035 0.5000000), wk = 0.0020964 k( 296) = ( 0.4649123 0.0701754 0.5000000), wk = 0.0020964 k( 297) = ( 0.4605263 0.0789474 0.5000000), wk = 0.0020964 k( 298) = ( 0.4561404 0.0877193 0.5000000), wk = 0.0020964 k( 299) = ( 0.4517544 0.0964912 0.5000000), wk = 0.0020964 k( 300) = ( 0.4473684 0.1052632 0.5000000), wk = 0.0020964 k( 301) = ( 0.4429825 0.1140351 0.5000000), wk = 0.0020964 k( 302) = ( 0.4385965 0.1228070 0.5000000), wk = 0.0020964 k( 303) = ( 0.4342105 0.1315790 0.5000000), wk = 0.0020964 k( 304) = ( 0.4298246 0.1403509 0.5000000), wk = 0.0020964 k( 305) = ( 0.4254386 0.1491228 0.5000000), wk = 0.0020964 k( 306) = ( 0.4210526 0.1578947 0.5000000), wk = 0.0020964 k( 307) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0020964 k( 308) = ( 0.4122807 0.1754386 0.5000000), wk = 0.0020964 k( 309) = ( 0.4078947 0.1842105 0.5000000), wk = 0.0020964 k( 310) = ( 0.4035088 0.1929825 0.5000000), wk = 0.0020964 k( 311) = ( 0.3991228 0.2017544 0.5000000), wk = 0.0020964 k( 312) = ( 0.3947368 0.2105263 0.5000000), wk = 0.0020964 k( 313) = ( 0.3903509 0.2192982 0.5000000), wk = 0.0020964 k( 314) = ( 0.3859649 0.2280702 0.5000000), wk = 0.0020964 k( 315) = ( 0.3815789 0.2368421 0.5000000), wk = 0.0020964 k( 316) = ( 0.3771930 0.2456140 0.5000000), wk = 0.0020964 k( 317) = ( 0.3728070 0.2543860 0.5000000), wk = 0.0020964 k( 318) = ( 0.3684211 0.2631579 0.5000000), wk = 0.0020964 k( 319) = ( 0.3640351 0.2719298 0.5000000), wk = 0.0020964 k( 320) = ( 0.3596491 0.2807017 0.5000000), wk = 0.0020964 k( 321) = ( 0.3552632 0.2894737 0.5000000), wk = 0.0020964 k( 322) = ( 0.3508772 0.2982456 0.5000000), wk = 0.0020964 k( 323) = ( 0.3464912 0.3070175 0.5000000), wk = 0.0020964 k( 324) = ( 0.3421053 0.3157895 0.5000000), wk = 0.0020964 k( 325) = ( 0.3377193 0.3245614 0.5000000), wk = 0.0020964 k( 326) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020964 k( 327) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020964 k( 328) = ( 0.3289474 0.3289474 0.5000000), wk = 0.0020964 k( 329) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0020964 k( 330) = ( 0.3201754 0.3201754 0.5000000), wk = 0.0020964 k( 331) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0020964 k( 332) = ( 0.3114035 0.3114035 0.5000000), wk = 0.0020964 k( 333) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0020964 k( 334) = ( 0.3026316 0.3026316 0.5000000), wk = 0.0020964 k( 335) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0020964 k( 336) = ( 0.2938596 0.2938596 0.5000000), wk = 0.0020964 k( 337) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0020964 k( 338) = ( 0.2850877 0.2850877 0.5000000), wk = 0.0020964 k( 339) = ( 0.2807018 0.2807017 0.5000000), wk = 0.0020964 k( 340) = ( 0.2763158 0.2763158 0.5000000), wk = 0.0020964 k( 341) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0020964 k( 342) = ( 0.2675439 0.2675439 0.5000000), wk = 0.0020964 k( 343) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0020964 k( 344) = ( 0.2587719 0.2587719 0.5000000), wk = 0.0020964 k( 345) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0020964 k( 346) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020964 k( 347) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0020964 k( 348) = ( 0.2412281 0.2412281 0.5000000), wk = 0.0020964 k( 349) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0020964 k( 350) = ( 0.2324561 0.2324561 0.5000000), wk = 0.0020964 k( 351) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0020964 k( 352) = ( 0.2236842 0.2236842 0.5000000), wk = 0.0020964 k( 353) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0020964 k( 354) = ( 0.2149123 0.2149123 0.5000000), wk = 0.0020964 k( 355) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0020964 k( 356) = ( 0.2061403 0.2061403 0.5000000), wk = 0.0020964 k( 357) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0020964 k( 358) = ( 0.1973684 0.1973684 0.5000000), wk = 0.0020964 k( 359) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0020964 k( 360) = ( 0.1885965 0.1885965 0.5000000), wk = 0.0020964 k( 361) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0020964 k( 362) = ( 0.1798246 0.1798246 0.5000000), wk = 0.0020964 k( 363) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0020964 k( 364) = ( 0.1710526 0.1710526 0.5000000), wk = 0.0020964 k( 365) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020964 k( 366) = ( 0.1622807 0.1622807 0.5000000), wk = 0.0020964 k( 367) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0020964 k( 368) = ( 0.1535088 0.1535088 0.5000000), wk = 0.0020964 k( 369) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0020964 k( 370) = ( 0.1447368 0.1447368 0.5000000), wk = 0.0020964 k( 371) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0020964 k( 372) = ( 0.1359649 0.1359649 0.5000000), wk = 0.0020964 k( 373) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0020964 k( 374) = ( 0.1271930 0.1271930 0.5000000), wk = 0.0020964 k( 375) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0020964 k( 376) = ( 0.1184210 0.1184210 0.5000000), wk = 0.0020964 k( 377) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0020964 k( 378) = ( 0.1096491 0.1096491 0.5000000), wk = 0.0020964 k( 379) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0020964 k( 380) = ( 0.1008772 0.1008772 0.5000000), wk = 0.0020964 k( 381) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0020964 k( 382) = ( 0.0921053 0.0921053 0.5000000), wk = 0.0020964 k( 383) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0020964 k( 384) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0020964 k( 385) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0020964 k( 386) = ( 0.0745614 0.0745614 0.5000000), wk = 0.0020964 k( 387) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0020964 k( 388) = ( 0.0657895 0.0657895 0.5000000), wk = 0.0020964 k( 389) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0020964 k( 390) = ( 0.0570175 0.0570175 0.5000000), wk = 0.0020964 k( 391) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0020964 k( 392) = ( 0.0482456 0.0482456 0.5000000), wk = 0.0020964 k( 393) = ( 0.0438597 0.0438596 0.5000000), wk = 0.0020964 k( 394) = ( 0.0394737 0.0394737 0.5000000), wk = 0.0020964 k( 395) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0020964 k( 396) = ( 0.0307017 0.0307017 0.5000000), wk = 0.0020964 k( 397) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0020964 k( 398) = ( 0.0219298 0.0219298 0.5000000), wk = 0.0020964 k( 399) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0020964 k( 400) = ( 0.0131579 0.0131579 0.5000000), wk = 0.0020964 k( 401) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0020964 k( 402) = ( 0.0043860 0.0043860 0.5000000), wk = 0.0020964 k( 403) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020964 k( 404) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020964 k( 405) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0020964 k( 406) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0020964 k( 407) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0020964 k( 408) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0020964 k( 409) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0020964 k( 410) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0020964 k( 411) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0020964 k( 412) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0020964 k( 413) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020964 k( 414) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0020964 k( 415) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0020964 k( 416) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0020964 k( 417) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0020964 k( 418) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0020964 k( 419) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0020964 k( 420) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0020964 k( 421) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0020964 k( 422) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020964 k( 423) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0020964 k( 424) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0020964 k( 425) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0020964 k( 426) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0020964 k( 427) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0020964 k( 428) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0020964 k( 429) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0020964 k( 430) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0020964 k( 431) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020964 k( 432) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0020964 k( 433) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0020964 k( 434) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0020964 k( 435) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0020964 k( 436) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0020964 k( 437) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0020964 k( 438) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0020964 k( 439) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0020964 k( 440) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020964 k( 441) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020964 k( 442) = ( 0.3333333 0.3333333 0.0138889), wk = 0.0020964 k( 443) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0020964 k( 444) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0020964 k( 445) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0020964 k( 446) = ( 0.3333333 0.3333333 0.0694444), wk = 0.0020964 k( 447) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0020964 k( 448) = ( 0.3333333 0.3333333 0.0972222), wk = 0.0020964 k( 449) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0020964 k( 450) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020964 k( 451) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0020964 k( 452) = ( 0.3333333 0.3333333 0.1527778), wk = 0.0020964 k( 453) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0020964 k( 454) = ( 0.3333333 0.3333333 0.1805556), wk = 0.0020964 k( 455) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0020964 k( 456) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0020964 k( 457) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0020964 k( 458) = ( 0.3333333 0.3333333 0.2361111), wk = 0.0020964 k( 459) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020964 k( 460) = ( 0.3333333 0.3333333 0.2638889), wk = 0.0020964 k( 461) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0020964 k( 462) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0020964 k( 463) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0020964 k( 464) = ( 0.3333333 0.3333333 0.3194444), wk = 0.0020964 k( 465) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020964 k( 466) = ( 0.3333333 0.3333333 0.3472222), wk = 0.0020964 k( 467) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0020964 k( 468) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020964 k( 469) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0020964 k( 470) = ( 0.3333333 0.3333333 0.4027778), wk = 0.0020964 k( 471) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0020964 k( 472) = ( 0.3333333 0.3333333 0.4305556), wk = 0.0020964 k( 473) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0020964 k( 474) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0020964 k( 475) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0020964 k( 476) = ( 0.3333333 0.3333333 0.4861111), wk = 0.0020964 k( 477) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020964 Dense grid: 19037 G-vectors FFT dimensions: ( 30, 30, 48) Smooth grid: 8305 G-vectors FFT dimensions: ( 24, 24, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 60, 34) NL pseudopotentials 0.04 Mb ( 30, 96) Each V/rho on FFT grid 0.03 Mb ( 1800) Each G-vector array 0.00 Mb ( 535) G-vector shells 0.00 Mb ( 270) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 60, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.10 Mb ( 96, 2, 34) The potential is recalculated from file : ./FeN.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.5 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.6 secs Computing kpt #: 21 total cpu time spent up to now is 5.8 secs Computing kpt #: 22 total cpu time spent up to now is 5.9 secs Computing kpt #: 23 total cpu time spent up to now is 6.0 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.3 secs Computing kpt #: 26 total cpu time spent up to now is 6.4 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.9 secs Computing kpt #: 30 total cpu time spent up to now is 7.1 secs Computing kpt #: 31 total cpu time spent up to now is 7.2 secs Computing kpt #: 32 total cpu time spent up to now is 7.3 secs Computing kpt #: 33 total cpu time spent up to now is 7.4 secs Computing kpt #: 34 total cpu time spent up to now is 7.5 secs Computing kpt #: 35 total cpu time spent up to now is 7.7 secs Computing kpt #: 36 total cpu time spent up to now is 7.8 secs Computing kpt #: 37 total cpu time spent up to now is 7.9 secs Computing kpt #: 38 total cpu time spent up to now is 8.0 secs Computing kpt #: 39 total cpu time spent up to now is 8.1 secs Computing kpt #: 40 total cpu time spent up to now is 8.2 secs Computing kpt #: 41 total cpu time spent up to now is 8.3 secs Computing kpt #: 42 total cpu time spent up to now is 8.5 secs Computing kpt #: 43 total cpu time spent up to now is 8.6 secs Computing kpt #: 44 total cpu time spent up to now is 8.7 secs Computing kpt #: 45 total cpu time spent up to now is 8.8 secs Computing kpt #: 46 total cpu time spent up to now is 8.9 secs Computing kpt #: 47 total cpu time spent up to now is 9.0 secs Computing kpt #: 48 total cpu time spent up to now is 9.2 secs Computing kpt #: 49 total cpu time spent up to now is 9.3 secs Computing kpt #: 50 total cpu time spent up to now is 9.4 secs Computing kpt #: 51 total cpu time spent up to now is 9.5 secs Computing kpt #: 52 total cpu time spent up to now is 9.6 secs Computing kpt #: 53 total cpu time spent up to now is 9.8 secs Computing kpt #: 54 total cpu time spent up to now is 9.9 secs Computing kpt #: 55 total cpu time spent up to now is 10.0 secs Computing kpt #: 56 total cpu time spent up to now is 10.1 secs Computing kpt #: 57 total cpu time spent up to now is 10.3 secs Computing kpt #: 58 total cpu time spent up to now is 10.4 secs Computing kpt #: 59 total cpu time spent up to now is 10.5 secs Computing kpt #: 60 total cpu time spent up to now is 10.7 secs Computing kpt #: 61 total cpu time spent up to now is 10.9 secs Computing kpt #: 62 total cpu time spent up to now is 11.0 secs Computing kpt #: 63 total cpu time spent up to now is 11.1 secs Computing kpt #: 64 total cpu time spent up to now is 11.3 secs Computing kpt #: 65 total cpu time spent up to now is 11.4 secs Computing kpt #: 66 total cpu time spent up to now is 11.6 secs Computing kpt #: 67 total cpu time spent up to now is 11.7 secs Computing kpt #: 68 total cpu time spent up to now is 11.8 secs Computing kpt #: 69 total cpu time spent up to now is 12.0 secs Computing kpt #: 70 total cpu time spent up to now is 12.1 secs Computing kpt #: 71 total cpu time spent up to now is 12.3 secs Computing kpt #: 72 total cpu time spent up to now is 12.4 secs Computing kpt #: 73 total cpu time spent up to now is 12.6 secs Computing kpt #: 74 total cpu time spent up to now is 12.7 secs Computing kpt #: 75 total cpu time spent up to now is 12.9 secs Computing kpt #: 76 total cpu time spent up to now is 13.0 secs Computing kpt #: 77 total cpu time spent up to now is 13.2 secs Computing kpt #: 78 total cpu time spent up to now is 13.4 secs Computing kpt #: 79 total cpu time spent up to now is 13.5 secs Computing kpt #: 80 total cpu time spent up to now is 13.7 secs Computing kpt #: 81 total cpu time spent up to now is 13.8 secs Computing kpt #: 82 total cpu time spent up to now is 14.0 secs Computing kpt #: 83 total cpu time spent up to now is 14.1 secs Computing kpt #: 84 total cpu time spent up to now is 14.3 secs Computing kpt #: 85 total cpu time spent up to now is 14.4 secs Computing kpt #: 86 total cpu time spent up to now is 14.6 secs Computing kpt #: 87 total cpu time spent up to now is 14.7 secs Computing kpt #: 88 total cpu time spent up to now is 14.9 secs Computing kpt #: 89 total cpu time spent up to now is 15.0 secs Computing kpt #: 90 total cpu time spent up to now is 15.2 secs Computing kpt #: 91 total cpu time spent up to now is 15.3 secs Computing kpt #: 92 total cpu time spent up to now is 15.5 secs Computing kpt #: 93 total cpu time spent up to now is 15.7 secs Computing kpt #: 94 total cpu time spent up to now is 15.8 secs Computing kpt #: 95 total cpu time spent up to now is 16.0 secs Computing kpt #: 96 total cpu time spent up to now is 16.1 secs Computing kpt #: 97 total cpu time spent up to now is 16.3 secs Computing kpt #: 98 total cpu time spent up to now is 16.5 secs Computing kpt #: 99 total cpu time spent up to now is 16.6 secs Computing kpt #: 100 total cpu time spent up to now is 17.0 secs Computing kpt #: 101 total cpu time spent up to now is 17.2 secs Computing kpt #: 102 total cpu time spent up to now is 17.4 secs Computing kpt #: 103 total cpu time spent up to now is 17.5 secs Computing kpt #: 104 total cpu time spent up to now is 17.7 secs Computing kpt #: 105 total cpu time spent up to now is 17.8 secs Computing kpt #: 106 total cpu time spent up to now is 18.0 secs Computing kpt #: 107 total cpu time spent up to now is 18.2 secs Computing kpt #: 108 total cpu time spent up to now is 18.3 secs Computing kpt #: 109 total cpu time spent up to now is 18.5 secs Computing kpt #: 110 total cpu time spent up to now is 18.6 secs Computing kpt #: 111 total cpu time spent up to now is 18.8 secs Computing kpt #: 112 total cpu time spent up to now is 19.0 secs Computing kpt #: 113 total cpu time spent up to now is 19.1 secs Computing kpt #: 114 total cpu time spent up to now is 19.3 secs Computing kpt #: 115 total cpu time spent up to now is 19.5 secs Computing kpt #: 116 total cpu time spent up to now is 19.6 secs Computing kpt #: 117 total cpu time spent up to now is 19.8 secs Computing kpt #: 118 total cpu time spent up to now is 20.0 secs Computing kpt #: 119 total cpu time spent up to now is 20.1 secs Computing kpt #: 120 total cpu time spent up to now is 20.3 secs Computing kpt #: 121 total cpu time spent up to now is 20.4 secs Computing kpt #: 122 total cpu time spent up to now is 20.6 secs Computing kpt #: 123 total cpu time spent up to now is 20.7 secs Computing kpt #: 124 total cpu time spent up to now is 20.9 secs Computing kpt #: 125 total cpu time spent up to now is 21.0 secs Computing kpt #: 126 total cpu time spent up to now is 21.2 secs Computing kpt #: 127 total cpu time spent up to now is 21.3 secs Computing kpt #: 128 total cpu time spent up to now is 21.4 secs Computing kpt #: 129 total cpu time spent up to now is 21.6 secs Computing kpt #: 130 total cpu time spent up to now is 21.7 secs Computing kpt #: 131 total cpu time spent up to now is 21.9 secs Computing kpt #: 132 total cpu time spent up to now is 22.0 secs Computing kpt #: 133 total cpu time spent up to now is 22.1 secs Computing kpt #: 134 total cpu time spent up to now is 22.3 secs Computing kpt #: 135 total cpu time spent up to now is 22.4 secs Computing kpt #: 136 total cpu time spent up to now is 22.6 secs Computing kpt #: 137 total cpu time spent up to now is 22.8 secs Computing kpt #: 138 total cpu time spent up to now is 22.9 secs Computing kpt #: 139 total cpu time spent up to now is 23.1 secs Computing kpt #: 140 total cpu time spent up to now is 23.3 secs Computing kpt #: 141 total cpu time spent up to now is 23.5 secs Computing kpt #: 142 total cpu time spent up to now is 23.6 secs Computing kpt #: 143 total cpu time spent up to now is 23.8 secs Computing kpt #: 144 total cpu time spent up to now is 24.0 secs Computing kpt #: 145 total cpu time spent up to now is 24.1 secs Computing kpt #: 146 total cpu time spent up to now is 24.3 secs Computing kpt #: 147 total cpu time spent up to now is 24.4 secs Computing kpt #: 148 total cpu time spent up to now is 24.6 secs Computing kpt #: 149 total cpu time spent up to now is 24.7 secs Computing kpt #: 150 total cpu time spent up to now is 24.9 secs Computing kpt #: 151 total cpu time spent up to now is 25.0 secs Computing kpt #: 152 total cpu time spent up to now is 25.2 secs Computing kpt #: 153 total cpu time spent up to now is 25.3 secs Computing kpt #: 154 total cpu time spent up to now is 25.5 secs Computing kpt #: 155 total cpu time spent up to now is 25.6 secs Computing kpt #: 156 total cpu time spent up to now is 25.8 secs Computing kpt #: 157 total cpu time spent up to now is 25.9 secs Computing kpt #: 158 total cpu time spent up to now is 26.0 secs Computing kpt #: 159 total cpu time spent up to now is 26.2 secs Computing kpt #: 160 total cpu time spent up to now is 26.3 secs Computing kpt #: 161 total cpu time spent up to now is 26.5 secs Computing kpt #: 162 total cpu time spent up to now is 26.6 secs Computing kpt #: 163 total cpu time spent up to now is 26.8 secs Computing kpt #: 164 total cpu time spent up to now is 26.9 secs Computing kpt #: 165 total cpu time spent up to now is 27.0 secs Computing kpt #: 166 total cpu time spent up to now is 27.2 secs Computing kpt #: 167 total cpu time spent up to now is 27.3 secs Computing kpt #: 168 total cpu time spent up to now is 27.5 secs Computing kpt #: 169 total cpu time spent up to now is 27.6 secs Computing kpt #: 170 total cpu time spent up to now is 27.8 secs Computing kpt #: 171 total cpu time spent up to now is 27.9 secs Computing kpt #: 172 total cpu time spent up to now is 28.1 secs Computing kpt #: 173 total cpu time spent up to now is 28.2 secs Computing kpt #: 174 total cpu time spent up to now is 28.4 secs Computing kpt #: 175 total cpu time spent up to now is 28.6 secs Computing kpt #: 176 total cpu time spent up to now is 28.7 secs Computing kpt #: 177 total cpu time spent up to now is 28.9 secs Computing kpt #: 178 total cpu time spent up to now is 29.1 secs Computing kpt #: 179 total cpu time spent up to now is 29.2 secs Computing kpt #: 180 total cpu time spent up to now is 29.4 secs Computing kpt #: 181 total cpu time spent up to now is 29.6 secs Computing kpt #: 182 total cpu time spent up to now is 29.8 secs Computing kpt #: 183 total cpu time spent up to now is 29.9 secs Computing kpt #: 184 total cpu time spent up to now is 30.1 secs Computing kpt #: 185 total cpu time spent up to now is 30.3 secs Computing kpt #: 186 total cpu time spent up to now is 30.5 secs Computing kpt #: 187 total cpu time spent up to now is 30.7 secs Computing kpt #: 188 total cpu time spent up to now is 30.8 secs Computing kpt #: 189 total cpu time spent up to now is 31.0 secs Computing kpt #: 190 total cpu time spent up to now is 31.2 secs Computing kpt #: 191 total cpu time spent up to now is 31.4 secs Computing kpt #: 192 total cpu time spent up to now is 31.5 secs Computing kpt #: 193 total cpu time spent up to now is 31.7 secs Computing kpt #: 194 total cpu time spent up to now is 31.9 secs Computing kpt #: 195 total cpu time spent up to now is 32.1 secs Computing kpt #: 196 total cpu time spent up to now is 32.3 secs Computing kpt #: 197 total cpu time spent up to now is 32.5 secs Computing kpt #: 198 total cpu time spent up to now is 32.6 secs Computing kpt #: 199 total cpu time spent up to now is 32.8 secs Computing kpt #: 200 total cpu time spent up to now is 33.0 secs Computing kpt #: 201 total cpu time spent up to now is 33.2 secs Computing kpt #: 202 total cpu time spent up to now is 33.3 secs Computing kpt #: 203 total cpu time spent up to now is 33.5 secs Computing kpt #: 204 total cpu time spent up to now is 33.7 secs Computing kpt #: 205 total cpu time spent up to now is 33.8 secs Computing kpt #: 206 total cpu time spent up to now is 34.0 secs Computing kpt #: 207 total cpu time spent up to now is 34.2 secs Computing kpt #: 208 total cpu time spent up to now is 34.3 secs Computing kpt #: 209 total cpu time spent up to now is 34.5 secs Computing kpt #: 210 total cpu time spent up to now is 34.7 secs Computing kpt #: 211 total cpu time spent up to now is 34.8 secs Computing kpt #: 212 total cpu time spent up to now is 35.0 secs Computing kpt #: 213 total cpu time spent up to now is 35.2 secs Computing kpt #: 214 total cpu time spent up to now is 35.3 secs Computing kpt #: 215 total cpu time spent up to now is 35.5 secs Computing kpt #: 216 total cpu time spent up to now is 35.7 secs Computing kpt #: 217 total cpu time spent up to now is 35.8 secs Computing kpt #: 218 total cpu time spent up to now is 36.0 secs Computing kpt #: 219 total cpu time spent up to now is 36.2 secs Computing kpt #: 220 total cpu time spent up to now is 36.3 secs Computing kpt #: 221 total cpu time spent up to now is 36.5 secs Computing kpt #: 222 total cpu time spent up to now is 36.7 secs Computing kpt #: 223 total cpu time spent up to now is 36.8 secs Computing kpt #: 224 total cpu time spent up to now is 37.0 secs Computing kpt #: 225 total cpu time spent up to now is 37.1 secs Computing kpt #: 226 total cpu time spent up to now is 37.3 secs Computing kpt #: 227 total cpu time spent up to now is 37.4 secs Computing kpt #: 228 total cpu time spent up to now is 37.6 secs Computing kpt #: 229 total cpu time spent up to now is 37.7 secs Computing kpt #: 230 total cpu time spent up to now is 37.9 secs Computing kpt #: 231 total cpu time spent up to now is 38.0 secs Computing kpt #: 232 total cpu time spent up to now is 38.2 secs Computing kpt #: 233 total cpu time spent up to now is 38.3 secs Computing kpt #: 234 total cpu time spent up to now is 38.5 secs Computing kpt #: 235 total cpu time spent up to now is 38.6 secs Computing kpt #: 236 total cpu time spent up to now is 38.7 secs Computing kpt #: 237 total cpu time spent up to now is 38.8 secs Computing kpt #: 238 total cpu time spent up to now is 38.9 secs Computing kpt #: 239 total cpu time spent up to now is 39.1 secs Computing kpt #: 240 total cpu time spent up to now is 39.2 secs Computing kpt #: 241 total cpu time spent up to now is 39.3 secs Computing kpt #: 242 total cpu time spent up to now is 39.4 secs Computing kpt #: 243 total cpu time spent up to now is 39.5 secs Computing kpt #: 244 total cpu time spent up to now is 39.6 secs Computing kpt #: 245 total cpu time spent up to now is 39.7 secs Computing kpt #: 246 total cpu time spent up to now is 39.8 secs Computing kpt #: 247 total cpu time spent up to now is 40.0 secs Computing kpt #: 248 total cpu time spent up to now is 40.1 secs Computing kpt #: 249 total cpu time spent up to now is 40.2 secs Computing kpt #: 250 total cpu time spent up to now is 40.3 secs Computing kpt #: 251 total cpu time spent up to now is 40.4 secs Computing kpt #: 252 total cpu time spent up to now is 40.5 secs Computing kpt #: 253 total cpu time spent up to now is 40.7 secs Computing kpt #: 254 total cpu time spent up to now is 40.8 secs Computing kpt #: 255 total cpu time spent up to now is 40.9 secs Computing kpt #: 256 total cpu time spent up to now is 41.1 secs Computing kpt #: 257 total cpu time spent up to now is 41.2 secs Computing kpt #: 258 total cpu time spent up to now is 41.3 secs Computing kpt #: 259 total cpu time spent up to now is 41.5 secs Computing kpt #: 260 total cpu time spent up to now is 41.6 secs Computing kpt #: 261 total cpu time spent up to now is 41.8 secs Computing kpt #: 262 total cpu time spent up to now is 41.9 secs Computing kpt #: 263 total cpu time spent up to now is 42.1 secs Computing kpt #: 264 total cpu time spent up to now is 42.2 secs Computing kpt #: 265 total cpu time spent up to now is 42.4 secs Computing kpt #: 266 total cpu time spent up to now is 42.5 secs Computing kpt #: 267 total cpu time spent up to now is 42.7 secs Computing kpt #: 268 total cpu time spent up to now is 42.8 secs Computing kpt #: 269 total cpu time spent up to now is 42.9 secs Computing kpt #: 270 total cpu time spent up to now is 43.1 secs Computing kpt #: 271 total cpu time spent up to now is 43.2 secs Computing kpt #: 272 total cpu time spent up to now is 43.4 secs Computing kpt #: 273 total cpu time spent up to now is 43.5 secs Computing kpt #: 274 total cpu time spent up to now is 43.6 secs Computing kpt #: 275 total cpu time spent up to now is 43.7 secs Computing kpt #: 276 total cpu time spent up to now is 43.9 secs Computing kpt #: 277 total cpu time spent up to now is 44.0 secs Computing kpt #: 278 total cpu time spent up to now is 44.1 secs Computing kpt #: 279 total cpu time spent up to now is 44.3 secs Computing kpt #: 280 total cpu time spent up to now is 44.4 secs Computing kpt #: 281 total cpu time spent up to now is 44.5 secs Computing kpt #: 282 total cpu time spent up to now is 44.6 secs Computing kpt #: 283 total cpu time spent up to now is 44.8 secs Computing kpt #: 284 total cpu time spent up to now is 44.9 secs Computing kpt #: 285 total cpu time spent up to now is 45.0 secs Computing kpt #: 286 total cpu time spent up to now is 45.1 secs Computing kpt #: 287 total cpu time spent up to now is 45.2 secs Computing kpt #: 288 total cpu time spent up to now is 45.4 secs Computing kpt #: 289 total cpu time spent up to now is 45.5 secs Computing kpt #: 290 total cpu time spent up to now is 45.7 secs Computing kpt #: 291 total cpu time spent up to now is 45.9 secs Computing kpt #: 292 total cpu time spent up to now is 46.1 secs Computing kpt #: 293 total cpu time spent up to now is 46.2 secs Computing kpt #: 294 total cpu time spent up to now is 46.4 secs Computing kpt #: 295 total cpu time spent up to now is 46.5 secs Computing kpt #: 296 total cpu time spent up to now is 46.7 secs Computing kpt #: 297 total cpu time spent up to now is 46.9 secs Computing kpt #: 298 total cpu time spent up to now is 47.5 secs Computing kpt #: 299 total cpu time spent up to now is 47.6 secs Computing kpt #: 300 total cpu time spent up to now is 47.8 secs Computing kpt #: 301 total cpu time spent up to now is 48.0 secs Computing kpt #: 302 total cpu time spent up to now is 48.2 secs Computing kpt #: 303 total cpu time spent up to now is 48.4 secs Computing kpt #: 304 total cpu time spent up to now is 48.6 secs Computing kpt #: 305 total cpu time spent up to now is 48.7 secs Computing kpt #: 306 total cpu time spent up to now is 48.9 secs Computing kpt #: 307 total cpu time spent up to now is 49.1 secs Computing kpt #: 308 total cpu time spent up to now is 49.3 secs Computing kpt #: 309 total cpu time spent up to now is 49.4 secs Computing kpt #: 310 total cpu time spent up to now is 49.6 secs Computing kpt #: 311 total cpu time spent up to now is 49.8 secs Computing kpt #: 312 total cpu time spent up to now is 49.9 secs Computing kpt #: 313 total cpu time spent up to now is 50.1 secs Computing kpt #: 314 total cpu time spent up to now is 50.3 secs Computing kpt #: 315 total cpu time spent up to now is 50.4 secs Computing kpt #: 316 total cpu time spent up to now is 50.6 secs Computing kpt #: 317 total cpu time spent up to now is 50.7 secs Computing kpt #: 318 total cpu time spent up to now is 50.9 secs Computing kpt #: 319 total cpu time spent up to now is 51.1 secs Computing kpt #: 320 total cpu time spent up to now is 51.2 secs Computing kpt #: 321 total cpu time spent up to now is 51.4 secs Computing kpt #: 322 total cpu time spent up to now is 51.6 secs Computing kpt #: 323 total cpu time spent up to now is 51.7 secs Computing kpt #: 324 total cpu time spent up to now is 51.9 secs Computing kpt #: 325 total cpu time spent up to now is 52.0 secs Computing kpt #: 326 total cpu time spent up to now is 52.2 secs Computing kpt #: 327 total cpu time spent up to now is 52.4 secs Computing kpt #: 328 total cpu time spent up to now is 52.5 secs Computing kpt #: 329 total cpu time spent up to now is 52.7 secs Computing kpt #: 330 total cpu time spent up to now is 52.8 secs Computing kpt #: 331 total cpu time spent up to now is 53.0 secs Computing kpt #: 332 total cpu time spent up to now is 53.2 secs Computing kpt #: 333 total cpu time spent up to now is 53.3 secs Computing kpt #: 334 total cpu time spent up to now is 53.5 secs Computing kpt #: 335 total cpu time spent up to now is 53.7 secs Computing kpt #: 336 total cpu time spent up to now is 53.8 secs Computing kpt #: 337 total cpu time spent up to now is 54.0 secs Computing kpt #: 338 total cpu time spent up to now is 54.1 secs Computing kpt #: 339 total cpu time spent up to now is 54.3 secs Computing kpt #: 340 total cpu time spent up to now is 54.5 secs Computing kpt #: 341 total cpu time spent up to now is 54.6 secs Computing kpt #: 342 total cpu time spent up to now is 54.8 secs Computing kpt #: 343 total cpu time spent up to now is 55.0 secs Computing kpt #: 344 total cpu time spent up to now is 55.1 secs Computing kpt #: 345 total cpu time spent up to now is 55.3 secs Computing kpt #: 346 total cpu time spent up to now is 55.5 secs Computing kpt #: 347 total cpu time spent up to now is 55.6 secs Computing kpt #: 348 total cpu time spent up to now is 55.8 secs Computing kpt #: 349 total cpu time spent up to now is 56.0 secs Computing kpt #: 350 total cpu time spent up to now is 56.1 secs Computing kpt #: 351 total cpu time spent up to now is 56.3 secs Computing kpt #: 352 total cpu time spent up to now is 56.5 secs Computing kpt #: 353 total cpu time spent up to now is 56.6 secs Computing kpt #: 354 total cpu time spent up to now is 56.8 secs Computing kpt #: 355 total cpu time spent up to now is 57.0 secs Computing kpt #: 356 total cpu time spent up to now is 57.1 secs Computing kpt #: 357 total cpu time spent up to now is 57.3 secs Computing kpt #: 358 total cpu time spent up to now is 57.4 secs Computing kpt #: 359 total cpu time spent up to now is 57.6 secs Computing kpt #: 360 total cpu time spent up to now is 57.7 secs Computing kpt #: 361 total cpu time spent up to now is 57.9 secs Computing kpt #: 362 total cpu time spent up to now is 58.1 secs Computing kpt #: 363 total cpu time spent up to now is 58.2 secs Computing kpt #: 364 total cpu time spent up to now is 58.4 secs Computing kpt #: 365 total cpu time spent up to now is 58.6 secs Computing kpt #: 366 total cpu time spent up to now is 58.7 secs Computing kpt #: 367 total cpu time spent up to now is 58.9 secs Computing kpt #: 368 total cpu time spent up to now is 59.0 secs Computing kpt #: 369 total cpu time spent up to now is 59.2 secs Computing kpt #: 370 total cpu time spent up to now is 59.4 secs Computing kpt #: 371 total cpu time spent up to now is 59.5 secs Computing kpt #: 372 total cpu time spent up to now is 59.7 secs Computing kpt #: 373 total cpu time spent up to now is 59.8 secs Computing kpt #: 374 total cpu time spent up to now is 60.0 secs Computing kpt #: 375 total cpu time spent up to now is 60.1 secs Computing kpt #: 376 total cpu time spent up to now is 60.3 secs Computing kpt #: 377 total cpu time spent up to now is 60.4 secs Computing kpt #: 378 total cpu time spent up to now is 60.6 secs Computing kpt #: 379 total cpu time spent up to now is 60.7 secs Computing kpt #: 380 total cpu time spent up to now is 60.9 secs Computing kpt #: 381 total cpu time spent up to now is 61.1 secs Computing kpt #: 382 total cpu time spent up to now is 61.2 secs Computing kpt #: 383 total cpu time spent up to now is 61.4 secs Computing kpt #: 384 total cpu time spent up to now is 61.6 secs Computing kpt #: 385 total cpu time spent up to now is 61.7 secs Computing kpt #: 386 total cpu time spent up to now is 61.9 secs Computing kpt #: 387 total cpu time spent up to now is 62.0 secs Computing kpt #: 388 total cpu time spent up to now is 62.2 secs Computing kpt #: 389 total cpu time spent up to now is 62.3 secs Computing kpt #: 390 total cpu time spent up to now is 62.5 secs Computing kpt #: 391 total cpu time spent up to now is 62.7 secs Computing kpt #: 392 total cpu time spent up to now is 62.8 secs Computing kpt #: 393 total cpu time spent up to now is 63.0 secs Computing kpt #: 394 total cpu time spent up to now is 63.2 secs Computing kpt #: 395 total cpu time spent up to now is 63.3 secs Computing kpt #: 396 total cpu time spent up to now is 63.5 secs Computing kpt #: 397 total cpu time spent up to now is 63.7 secs Computing kpt #: 398 total cpu time spent up to now is 63.8 secs Computing kpt #: 399 total cpu time spent up to now is 64.0 secs Computing kpt #: 400 total cpu time spent up to now is 64.2 secs Computing kpt #: 401 total cpu time spent up to now is 64.3 secs Computing kpt #: 402 total cpu time spent up to now is 64.5 secs Computing kpt #: 403 total cpu time spent up to now is 64.7 secs Computing kpt #: 404 total cpu time spent up to now is 64.8 secs Computing kpt #: 405 total cpu time spent up to now is 64.9 secs Computing kpt #: 406 total cpu time spent up to now is 65.1 secs Computing kpt #: 407 total cpu time spent up to now is 65.2 secs Computing kpt #: 408 total cpu time spent up to now is 65.4 secs Computing kpt #: 409 total cpu time spent up to now is 65.5 secs Computing kpt #: 410 total cpu time spent up to now is 65.6 secs Computing kpt #: 411 total cpu time spent up to now is 65.8 secs Computing kpt #: 412 total cpu time spent up to now is 65.9 secs Computing kpt #: 413 total cpu time spent up to now is 66.0 secs Computing kpt #: 414 total cpu time spent up to now is 66.2 secs Computing kpt #: 415 total cpu time spent up to now is 66.3 secs Computing kpt #: 416 total cpu time spent up to now is 66.4 secs Computing kpt #: 417 total cpu time spent up to now is 66.6 secs Computing kpt #: 418 total cpu time spent up to now is 66.7 secs Computing kpt #: 419 total cpu time spent up to now is 66.8 secs Computing kpt #: 420 total cpu time spent up to now is 67.0 secs Computing kpt #: 421 total cpu time spent up to now is 67.1 secs Computing kpt #: 422 total cpu time spent up to now is 67.3 secs Computing kpt #: 423 total cpu time spent up to now is 67.4 secs Computing kpt #: 424 total cpu time spent up to now is 67.5 secs Computing kpt #: 425 total cpu time spent up to now is 67.7 secs Computing kpt #: 426 total cpu time spent up to now is 67.8 secs Computing kpt #: 427 total cpu time spent up to now is 68.0 secs Computing kpt #: 428 total cpu time spent up to now is 68.1 secs Computing kpt #: 429 total cpu time spent up to now is 68.3 secs Computing kpt #: 430 total cpu time spent up to now is 68.5 secs Computing kpt #: 431 total cpu time spent up to now is 68.6 secs Computing kpt #: 432 total cpu time spent up to now is 68.8 secs Computing kpt #: 433 total cpu time spent up to now is 68.9 secs Computing kpt #: 434 total cpu time spent up to now is 69.1 secs Computing kpt #: 435 total cpu time spent up to now is 69.2 secs Computing kpt #: 436 total cpu time spent up to now is 69.4 secs Computing kpt #: 437 total cpu time spent up to now is 69.5 secs Computing kpt #: 438 total cpu time spent up to now is 69.7 secs Computing kpt #: 439 total cpu time spent up to now is 69.9 secs Computing kpt #: 440 total cpu time spent up to now is 70.0 secs Computing kpt #: 441 total cpu time spent up to now is 70.2 secs Computing kpt #: 442 total cpu time spent up to now is 70.3 secs Computing kpt #: 443 total cpu time spent up to now is 70.5 secs Computing kpt #: 444 total cpu time spent up to now is 70.7 secs Computing kpt #: 445 total cpu time spent up to now is 70.8 secs Computing kpt #: 446 total cpu time spent up to now is 71.0 secs Computing kpt #: 447 total cpu time spent up to now is 71.2 secs Computing kpt #: 448 total cpu time spent up to now is 71.3 secs Computing kpt #: 449 total cpu time spent up to now is 71.5 secs Computing kpt #: 450 total cpu time spent up to now is 71.7 secs Computing kpt #: 451 total cpu time spent up to now is 71.8 secs Computing kpt #: 452 total cpu time spent up to now is 72.0 secs Computing kpt #: 453 total cpu time spent up to now is 72.2 secs Computing kpt #: 454 total cpu time spent up to now is 72.3 secs Computing kpt #: 455 total cpu time spent up to now is 72.5 secs Computing kpt #: 456 total cpu time spent up to now is 72.7 secs Computing kpt #: 457 total cpu time spent up to now is 72.8 secs Computing kpt #: 458 total cpu time spent up to now is 73.0 secs Computing kpt #: 459 total cpu time spent up to now is 73.1 secs Computing kpt #: 460 total cpu time spent up to now is 73.3 secs Computing kpt #: 461 total cpu time spent up to now is 73.5 secs Computing kpt #: 462 total cpu time spent up to now is 73.6 secs Computing kpt #: 463 total cpu time spent up to now is 73.8 secs Computing kpt #: 464 total cpu time spent up to now is 73.9 secs Computing kpt #: 465 total cpu time spent up to now is 74.1 secs Computing kpt #: 466 total cpu time spent up to now is 74.3 secs Computing kpt #: 467 total cpu time spent up to now is 74.4 secs Computing kpt #: 468 total cpu time spent up to now is 74.6 secs Computing kpt #: 469 total cpu time spent up to now is 74.8 secs Computing kpt #: 470 total cpu time spent up to now is 74.9 secs Computing kpt #: 471 total cpu time spent up to now is 75.1 secs Computing kpt #: 472 total cpu time spent up to now is 75.3 secs Computing kpt #: 473 total cpu time spent up to now is 75.4 secs Computing kpt #: 474 total cpu time spent up to now is 75.6 secs Computing kpt #: 475 total cpu time spent up to now is 75.7 secs Computing kpt #: 476 total cpu time spent up to now is 75.9 secs Computing kpt #: 477 total cpu time spent up to now is 76.0 secs ethr = 3.85E-08, avg # of iterations = 18.5 total cpu time spent up to now is 76.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1087 PWs) bands (ev): -2.6330 -2.6330 0.7998 0.7998 6.9666 6.9666 9.8402 9.8402 9.8504 9.8504 11.6735 11.6735 13.8127 13.8127 13.8155 13.8155 14.4849 14.4849 14.5922 14.5922 14.7670 14.7670 14.8018 14.8018 14.9727 14.9727 16.1273 16.1273 16.1919 16.1919 18.2742 18.2742 20.6113 20.6113 k = 0.0076 0.0044-0.0000 ( 1087 PWs) bands (ev): -2.6319 -2.6319 0.7997 0.7997 6.9680 6.9680 9.8402 9.8402 9.8505 9.8505 11.6732 11.6732 13.8062 13.8062 13.8093 13.8093 14.4734 14.4734 14.5805 14.5805 14.7726 14.7726 14.8066 14.8066 14.9938 14.9938 16.1284 16.1284 16.1931 16.1931 18.2739 18.2739 20.6093 20.6093 k = 0.0152 0.0087-0.0000 ( 1075 PWs) bands (ev): -2.6285 -2.6285 0.7993 0.7993 6.9721 6.9721 9.8406 9.8406 9.8510 9.8510 11.6724 11.6724 13.7864 13.7864 13.7921 13.7921 14.4325 14.4325 14.5631 14.5631 14.7877 14.7877 14.8212 14.8212 15.0469 15.0469 16.1318 16.1318 16.1973 16.1973 18.2730 18.2730 20.6032 20.6032 k = 0.0227 0.0131-0.0000 ( 1071 PWs) bands (ev): -2.6228 -2.6228 0.7987 0.7987 6.9790 6.9790 9.8409 9.8409 9.8517 9.8517 11.6709 11.6709 13.7538 13.7538 13.7651 13.7651 14.3628 14.3628 14.5562 14.5562 14.8096 14.8096 14.8454 14.8454 15.1152 15.1152 16.1363 16.1363 16.2050 16.2050 18.2714 18.2714 20.5923 20.5923 k = 0.0303 0.0175-0.0000 ( 1071 PWs) bands (ev): -2.6148 -2.6148 0.7978 0.7978 6.9887 6.9887 9.8409 9.8409 9.8530 9.8530 11.6688 11.6688 13.7098 13.7098 13.7297 13.7297 14.2770 14.2770 14.5563 14.5563 14.8359 14.8359 14.8788 14.8788 15.1883 15.1883 16.1410 16.1410 16.2183 16.2183 18.2692 18.2692 20.5758 20.5758 k = 0.0379 0.0219-0.0000 ( 1063 PWs) bands (ev): -2.6046 -2.6046 0.7967 0.7967 7.0011 7.0011 9.8407 9.8407 9.8549 9.8549 11.6660 11.6660 13.6561 13.6561 13.6877 13.6877 14.1836 14.1836 14.5605 14.5605 14.8652 14.8652 14.9201 14.9201 15.2608 15.2608 16.1450 16.1450 16.2393 16.2393 18.2664 18.2664 20.5535 20.5535 k = 0.0455 0.0262-0.0000 ( 1063 PWs) bands (ev): -2.5922 -2.5922 0.7954 0.7954 7.0162 7.0162 9.8402 9.8402 9.8576 9.8576 11.6623 11.6623 13.5941 13.5941 13.6405 13.6405 14.0859 14.0859 14.5672 14.5672 14.8966 14.8966 14.9675 14.9675 15.3290 15.3290 16.1476 16.1476 16.2687 16.2687 18.2629 18.2629 20.5252 20.5252 k = 0.0530 0.0306-0.0000 ( 1059 PWs) bands (ev): -2.5775 -2.5775 0.7938 0.7938 7.0341 7.0341 9.8393 9.8393 9.8609 9.8609 11.6577 11.6577 13.5251 13.5251 13.5894 13.5894 13.9860 13.9860 14.5759 14.5759 14.9294 14.9294 15.0194 15.0194 15.3909 15.3909 16.1494 16.1494 16.3077 16.3077 18.2587 18.2587 20.4916 20.4916 k = 0.0606 0.0350-0.0000 ( 1057 PWs) bands (ev): -2.5605 -2.5605 0.7920 0.7920 7.0546 7.0546 9.8381 9.8381 9.8647 9.8647 11.6518 11.6518 13.4506 13.4506 13.5356 13.5356 13.8849 13.8849 14.5863 14.5863 14.9630 14.9630 15.0744 15.0744 15.4450 15.4450 16.1500 16.1500 16.3563 16.3563 18.2539 18.2539 20.4530 20.4530 k = 0.0682 0.0394-0.0000 ( 1053 PWs) bands (ev): -2.5414 -2.5414 0.7899 0.7899 7.0778 7.0778 9.8367 9.8367 9.8691 9.8691 11.6446 11.6446 13.3712 13.3712 13.4798 13.4798 13.7833 13.7833 14.5984 14.5984 14.9971 14.9971 15.1315 15.1315 15.4907 15.4907 16.1502 16.1502 16.4146 16.4146 18.2484 18.2484 20.4100 20.4100 k = 0.0758 0.0437-0.0000 ( 1053 PWs) bands (ev): -2.5200 -2.5200 0.7877 0.7877 7.1037 7.1037 9.8350 9.8350 9.8740 9.8740 11.6358 11.6358 13.2880 13.2880 13.4228 13.4228 13.6815 13.6815 14.6121 14.6121 15.0313 15.0313 15.1900 15.1900 15.5281 15.5281 16.1497 16.1497 16.4819 16.4819 18.2423 18.2423 20.3630 20.3630 k = 0.0833 0.0481-0.0000 ( 1051 PWs) bands (ev): -2.4965 -2.4965 0.7852 0.7852 7.1322 7.1322 9.8331 9.8331 9.8792 9.8792 11.6249 11.6249 13.2020 13.2020 13.3651 13.3651 13.5800 13.5800 14.6272 14.6272 15.0654 15.0654 15.2493 15.2493 15.5576 15.5576 16.1488 16.1488 16.5573 16.5573 18.2356 18.2356 20.3124 20.3124 k = 0.0909 0.0525-0.0000 ( 1051 PWs) bands (ev): -2.4708 -2.4708 0.7825 0.7825 7.1633 7.1633 9.8309 9.8309 9.8848 9.8848 11.6116 11.6116 13.1140 13.1140 13.3072 13.3072 13.4789 13.4789 14.6437 14.6437 15.0992 15.0992 15.3089 15.3089 15.5803 15.5803 16.1476 16.1476 16.6396 16.6396 18.2283 18.2283 20.2584 20.2584 k = 0.0985 0.0569-0.0000 ( 1051 PWs) bands (ev): -2.4429 -2.4429 0.7796 0.7796 7.1969 7.1969 9.8284 9.8284 9.8906 9.8906 11.5953 11.5953 13.0250 13.0250 13.2495 13.2495 13.3786 13.3786 14.6617 14.6617 15.1326 15.1326 15.3682 15.3682 15.5970 15.5970 16.1461 16.1461 16.7276 16.7276 18.2204 18.2204 20.2015 20.2015 k = 0.1061 0.0612-0.0000 ( 1051 PWs) bands (ev): -2.4129 -2.4129 0.7765 0.7765 7.2330 7.2330 9.8258 9.8258 9.8967 9.8967 11.5755 11.5755 12.9360 12.9360 13.1921 13.1921 13.2792 13.2792 14.6809 14.6809 15.1656 15.1656 15.4269 15.4269 15.6087 15.6087 16.1445 16.1445 16.8200 16.8200 18.2118 18.2118 20.1420 20.1420 k = 0.1136 0.0656-0.0000 ( 1047 PWs) bands (ev): -2.3809 -2.3809 0.7732 0.7732 7.2716 7.2716 9.8228 9.8228 9.9030 9.9030 11.5514 11.5514 12.8481 12.8481 13.1352 13.1352 13.1813 13.1813 14.7017 14.7017 15.1982 15.1982 15.4847 15.4847 15.6163 15.6163 16.1427 16.1427 16.9157 16.9157 18.2028 18.2028 20.0801 20.0801 k = 0.1212 0.0700-0.0000 ( 1043 PWs) bands (ev): -2.3467 -2.3467 0.7697 0.7697 7.3127 7.3127 9.8197 9.8197 9.9094 9.9094 11.5222 11.5222 12.7624 12.7624 13.0732 13.0732 13.0903 13.0903 14.7235 14.7235 15.2304 15.2304 15.5413 15.5413 15.6206 15.6206 16.1411 16.1411 17.0139 17.0139 18.1933 18.1933 20.0162 20.0162 k = 0.1288 0.0744-0.0000 ( 1043 PWs) bands (ev): -2.3106 -2.3106 0.7660 0.7660 7.3561 7.3561 9.8162 9.8162 9.9157 9.9157 11.4869 11.4869 12.6802 12.6802 12.9838 12.9838 13.0293 13.0293 14.7465 14.7465 15.2622 15.2622 15.5956 15.5956 15.6228 15.6228 16.1390 16.1390 17.1137 17.1137 18.1834 18.1834 19.9503 19.9503 k = 0.1364 0.0787-0.0000 ( 1044 PWs) bands (ev): -2.2724 -2.2724 0.7622 0.7622 7.4018 7.4018 9.8123 9.8123 9.9220 9.9220 11.4447 11.4447 12.6026 12.6026 12.8894 12.8894 12.9759 12.9759 14.7707 14.7707 15.2936 15.2936 15.6194 15.6194 15.6516 15.6516 16.1368 16.1368 17.2144 17.2144 18.1732 18.1732 19.8829 19.8829 k = 0.1439 0.0831-0.0000 ( 1044 PWs) bands (ev): -2.2323 -2.2323 0.7582 0.7582 7.4498 7.4498 9.8082 9.8082 9.9281 9.9281 11.3947 11.3947 12.5309 12.5309 12.7958 12.7958 12.9247 12.9247 14.7961 14.7961 15.3249 15.3249 15.6172 15.6172 15.7025 15.7025 16.1345 16.1345 17.3151 17.3151 18.1631 18.1631 19.8140 19.8140 k = 0.1515 0.0875-0.0000 ( 1040 PWs) bands (ev): -2.1903 -2.1903 0.7541 0.7541 7.5000 7.5000 9.8037 9.8037 9.9341 9.9341 11.3365 11.3365 12.4658 12.4658 12.7035 12.7035 12.8755 12.8755 14.8226 14.8226 15.3559 15.3559 15.6128 15.6128 15.7518 15.7518 16.1322 16.1322 17.4151 17.4151 18.1535 18.1535 19.7440 19.7440 k = 0.1591 0.0919-0.0000 ( 1040 PWs) bands (ev): -2.1463 -2.1463 0.7498 0.7498 7.5523 7.5523 9.7986 9.7986 9.9397 9.9397 11.2698 11.2698 12.4079 12.4079 12.6127 12.6127 12.8282 12.8282 14.8500 14.8500 15.3866 15.3866 15.6069 15.6069 15.7988 15.7988 16.1298 16.1298 17.5134 17.5134 18.1449 18.1449 19.6730 19.6730 k = 0.1667 0.0962-0.0000 ( 1042 PWs) bands (ev): -2.1005 -2.1005 0.7454 0.7454 7.6067 7.6067 9.7929 9.7929 9.9450 9.9450 11.1946 11.1946 12.3572 12.3572 12.5233 12.5233 12.7831 12.7831 14.8784 14.8784 15.4171 15.4171 15.5998 15.5998 15.8434 15.8434 16.1274 16.1274 17.6083 17.6083 18.1386 18.1386 19.6012 19.6012 k = 0.1742 0.1006-0.0000 ( 1038 PWs) bands (ev): -2.0530 -2.0530 0.7409 0.7409 7.6631 7.6631 9.7866 9.7866 9.9498 9.9498 11.1120 11.1120 12.3137 12.3137 12.4357 12.4357 12.7401 12.7401 14.9077 14.9077 15.4474 15.4474 15.5919 15.5919 15.8852 15.8852 16.1250 16.1250 17.6974 17.6974 18.1369 18.1369 19.5290 19.5290 k = 0.1818 0.1050-0.0000 ( 1038 PWs) bands (ev): -2.0036 -2.0036 0.7363 0.7363 7.7213 7.7213 9.7791 9.7791 9.9540 9.9540 11.0225 11.0225 12.2767 12.2767 12.3498 12.3498 12.6995 12.6995 14.9378 14.9378 15.4773 15.4773 15.5835 15.5835 15.9241 15.9241 16.1226 16.1226 17.7763 17.7763 18.1439 18.1439 19.4564 19.4564 k = 0.1894 0.1093-0.0000 ( 1038 PWs) bands (ev): -1.9526 -1.9526 0.7316 0.7316 7.7813 7.7813 9.7702 9.7702 9.9576 9.9576 10.9275 10.9275 12.2454 12.2454 12.2658 12.2658 12.6614 12.6614 14.9687 14.9687 15.5061 15.5061 15.5752 15.5752 15.9599 15.9599 16.1204 16.1204 17.8383 17.8383 18.1662 18.1662 19.3836 19.3836 k = 0.1970 0.1137-0.0000 ( 1038 PWs) bands (ev): -1.9000 -1.9000 0.7268 0.7268 7.8430 7.8430 9.7596 9.7596 9.9605 9.9605 10.8286 10.8286 12.1836 12.1836 12.2192 12.2192 12.6258 12.6258 15.0003 15.0003 15.5309 15.5309 15.5702 15.5702 15.9925 15.9925 16.1184 16.1184 17.8771 17.8771 18.2096 18.2096 19.3108 19.3108 k = 0.2045 0.1181-0.0000 ( 1034 PWs) bands (ev): -1.8458 -1.8458 0.7219 0.7219 7.9063 7.9063 9.7465 9.7465 9.9627 9.9627 10.7273 10.7273 12.1035 12.1035 12.1972 12.1972 12.5928 12.5928 15.0325 15.0325 15.5394 15.5394 15.5810 15.5810 16.0216 16.0216 16.1168 16.1168 17.8938 17.8938 18.2734 18.2734 19.2384 19.2384 k = 0.2121 0.1225-0.0000 ( 1034 PWs) bands (ev): -1.7900 -1.7900 0.7170 0.7170 7.9711 7.9711 9.7301 9.7301 9.9640 9.9640 10.6254 10.6254 12.0253 12.0253 12.1785 12.1785 12.5626 12.5626 15.0653 15.0653 15.5326 15.5326 15.6063 15.6063 16.0468 16.0468 16.1158 16.1158 17.8944 17.8944 18.3507 18.3507 19.1665 19.1665 k = 0.2197 0.1268-0.0000 ( 1034 PWs) bands (ev): -1.7329 -1.7329 0.7120 0.7120 8.0372 8.0372 9.7090 9.7090 9.9645 9.9645 10.5252 10.5252 11.9493 11.9493 12.1627 12.1627 12.5350 12.5350 15.0985 15.0985 15.5220 15.5220 15.6348 15.6348 16.0672 16.0672 16.1163 16.1163 17.8854 17.8854 18.4352 18.4352 19.0953 19.0953 k = 0.2273 0.1312-0.0000 ( 1038 PWs) bands (ev): -1.6743 -1.6743 0.7070 0.7070 8.1045 8.1045 9.6813 9.6813 9.9640 9.9640 10.4290 10.4290 11.8754 11.8754 12.1491 12.1491 12.5103 12.5103 15.1321 15.1321 15.5102 15.5102 15.6638 15.6638 16.0815 16.0815 16.1196 16.1196 17.8704 17.8704 18.5229 18.5229 19.0250 19.0250 k = 0.2348 0.1356-0.0000 ( 1038 PWs) bands (ev): -1.6145 -1.6145 0.7019 0.7019 8.1729 8.1729 9.6452 9.6452 9.9626 9.9626 10.3399 10.3399 11.8039 11.8039 12.1372 12.1372 12.4884 12.4884 15.1659 15.1659 15.4979 15.4979 15.6928 15.6928 16.0889 16.0889 16.1267 16.1267 17.8515 17.8515 18.6120 18.6120 18.9560 18.9560 k = 0.2424 0.1400-0.0000 ( 1038 PWs) bands (ev): -1.5535 -1.5535 0.6969 0.6969 8.2422 8.2422 9.5980 9.5980 9.9602 9.9602 10.2606 10.2606 11.7347 11.7347 12.1268 12.1268 12.4693 12.4693 15.1997 15.1997 15.4853 15.4853 15.7216 15.7216 16.0912 16.0912 16.1355 16.1355 17.8296 17.8296 18.7009 18.7009 18.8888 18.8888 k = 0.2500 0.1443-0.0000 ( 1034 PWs) bands (ev): -1.4913 -1.4913 0.6919 0.6919 8.3122 8.3122 9.5378 9.5378 9.9569 9.9569 10.1937 10.1937 11.6680 11.6680 12.1174 12.1174 12.4533 12.4533 15.2334 15.2334 15.4727 15.4727 15.7499 15.7499 16.0914 16.0914 16.1434 16.1434 17.8056 17.8056 18.7858 18.7858 18.8264 18.8264 k = 0.2576 0.1487-0.0000 ( 1032 PWs) bands (ev): -1.4282 -1.4282 0.6868 0.6868 8.3828 8.3828 9.4642 9.4642 9.9526 9.9526 10.1401 10.1401 11.6039 11.6039 12.1088 12.1088 12.4399 12.4399 15.2668 15.2668 15.4604 15.4604 15.7776 15.7776 16.0906 16.0906 16.1492 16.1492 17.7798 17.7798 18.7563 18.7563 18.8791 18.8791 k = 0.2652 0.1531-0.0000 ( 1026 PWs) bands (ev): -1.3641 -1.3641 0.6818 0.6818 8.4537 8.4537 9.3781 9.3781 9.9472 9.9472 10.0992 10.0992 11.5426 11.5426 12.1009 12.1009 12.4292 12.4292 15.2990 15.2990 15.4490 15.4490 15.8046 15.8046 16.0895 16.0895 16.1524 16.1524 17.7525 17.7525 18.6951 18.6951 18.9643 18.9643 k = 0.2727 0.1575-0.0000 ( 1028 PWs) bands (ev): -1.2991 -1.2991 0.6769 0.6769 8.5248 8.5248 9.2817 9.2817 9.9409 9.9409 10.0689 10.0689 11.4839 11.4839 12.0931 12.0931 12.4212 12.4212 15.3289 15.3289 15.4395 15.4395 15.8305 15.8305 16.0882 16.0882 16.1529 16.1529 17.7237 17.7237 18.6357 18.6357 19.0481 19.0481 k = 0.2803 0.1618-0.0000 ( 1028 PWs) bands (ev): -1.2335 -1.2335 0.6720 0.6720 8.5957 8.5957 9.1776 9.1776 9.9338 9.9338 10.0473 10.0473 11.4280 11.4280 12.0857 12.0857 12.4158 12.4158 15.3530 15.3530 15.4352 15.4352 15.8554 15.8554 16.0868 16.0868 16.1510 16.1510 17.6936 17.6936 18.5788 18.5788 19.1300 19.1300 k = 0.2879 0.1662-0.0000 ( 1028 PWs) bands (ev): -1.1673 -1.1673 0.6672 0.6672 8.6663 8.6663 9.0682 9.0682 9.9258 9.9258 10.0322 10.0322 11.3751 11.3751 12.0782 12.0782 12.4130 12.4130 15.3649 15.3649 15.4427 15.4427 15.8790 15.8790 16.0854 16.0854 16.1467 16.1467 17.6623 17.6623 18.5247 18.5247 19.2097 19.2097 k = 0.2955 0.1706-0.0000 ( 1022 PWs) bands (ev): -1.1007 -1.1007 0.6625 0.6625 8.7363 8.7363 8.9552 8.9552 9.9171 9.9171 10.0223 10.0223 11.3255 11.3255 12.0709 12.0709 12.4125 12.4125 15.3632 15.3632 15.4635 15.4635 15.9014 15.9014 16.0839 16.0839 16.1405 16.1405 17.6301 17.6301 18.4737 18.4737 19.2872 19.2872 k = 0.3030 0.1750-0.0000 ( 1022 PWs) bands (ev): -1.0338 -1.0338 0.6579 0.6579 8.8054 8.8054 8.8402 8.8402 9.9076 9.9076 10.0160 10.0160 11.2791 11.2791 12.0633 12.0633 12.4143 12.4143 15.3543 15.3543 15.4904 15.4904 15.9219 15.9219 16.0819 16.0819 16.1328 16.1328 17.5970 17.5970 18.4258 18.4258 19.3623 19.3623 k = 0.3106 0.1793-0.0000 ( 1022 PWs) bands (ev): -0.9666 -0.9666 0.6534 0.6534 8.7240 8.7240 8.8733 8.8733 9.8976 9.8976 10.0128 10.0128 11.2361 11.2361 12.0556 12.0556 12.4183 12.4183 15.3426 15.3426 15.5194 15.5194 15.9405 15.9405 16.0789 16.0789 16.1246 16.1246 17.5630 17.5630 18.3813 18.3813 19.4349 19.4349 k = 0.3182 0.1837-0.0000 ( 1022 PWs) bands (ev): -0.8995 -0.8995 0.6491 0.6491 8.6077 8.6077 8.9397 8.9397 9.8870 9.8870 10.0118 10.0118 11.1967 11.1967 12.0476 12.0476 12.4242 12.4242 15.3296 15.3296 15.5487 15.5487 15.9570 15.9570 16.0738 16.0738 16.1174 16.1174 17.5283 17.5283 18.3403 18.3403 19.5048 19.5048 k = 0.3258 0.1881-0.0000 ( 1022 PWs) bands (ev): -0.8326 -0.8326 0.6449 0.6449 8.4920 8.4920 9.0041 9.0041 9.8759 9.8759 10.0128 10.0128 11.1611 11.1611 12.0393 12.0393 12.4320 12.4320 15.3161 15.3161 15.5775 15.5775 15.9709 15.9709 16.0658 16.0658 16.1126 16.1126 17.4930 17.4930 18.3029 18.3029 19.5720 19.5720 k = 0.3333 0.1925-0.0000 ( 1026 PWs) bands (ev): -0.7660 -0.7660 0.6409 0.6409 8.3773 8.3773 9.0664 9.0664 9.8645 9.8645 10.0154 10.0154 11.1293 11.1293 12.0307 12.0307 12.4414 12.4414 15.3022 15.3022 15.6053 15.6053 15.9813 15.9813 16.0554 16.0554 16.1107 16.1107 17.4572 17.4572 18.2691 18.2691 19.6364 19.6364 k = 0.3409 0.1968-0.0000 ( 1030 PWs) bands (ev): -0.6999 -0.6999 0.6370 0.6370 8.2642 8.2642 9.1260 9.1260 9.8528 9.8528 10.0192 10.0192 11.1016 11.1016 12.0218 12.0218 12.4523 12.4523 15.2882 15.2882 15.6318 15.6318 15.9868 15.9868 16.0452 16.0452 16.1112 16.1112 17.4210 17.4210 18.2392 18.2392 19.6980 19.6980 k = 0.3485 0.2012-0.0000 ( 1034 PWs) bands (ev): -0.6345 -0.6345 0.6334 0.6334 8.1532 8.1532 9.1827 9.1827 9.8410 9.8410 10.0241 10.0241 11.0781 11.0781 12.0126 12.0126 12.4644 12.4644 15.2741 15.2741 15.6570 15.6570 15.9842 15.9842 16.0387 16.0387 16.1133 16.1133 17.3848 17.3848 18.2130 18.2130 19.7568 19.7568 k = 0.3561 0.2056-0.0000 ( 1034 PWs) bands (ev): -0.5702 -0.5702 0.6300 0.6300 8.0445 8.0445 9.2363 9.2363 9.8292 9.8292 10.0299 10.0299 11.0590 11.0590 12.0031 12.0031 12.4777 12.4777 15.2601 15.2601 15.6807 15.6807 15.9731 15.9731 16.0376 16.0376 16.1170 16.1170 17.3485 17.3485 18.1904 18.1904 19.8127 19.8127 k = 0.3636 0.2099-0.0000 ( 1036 PWs) bands (ev): -0.5069 -0.5069 0.6269 0.6269 7.9386 7.9386 9.2863 9.2863 9.8174 9.8174 10.0365 10.0365 11.0441 11.0441 11.9933 11.9933 12.4919 12.4919 15.2460 15.2460 15.7025 15.7025 15.9564 15.9564 16.0393 16.0393 16.1218 16.1218 17.3123 17.3123 18.1713 18.1713 19.8655 19.8655 k = 0.3712 0.2143-0.0000 ( 1034 PWs) bands (ev): -0.4451 -0.4451 0.6241 0.6241 7.8359 7.8359 9.3325 9.3325 9.8057 9.8057 10.0437 10.0437 11.0336 11.0336 11.9833 11.9833 12.5069 12.5069 15.2324 15.2324 15.7224 15.7224 15.9371 15.9371 16.0413 16.0413 16.1277 16.1277 17.2765 17.2765 18.1557 18.1557 19.9155 19.9156 k = 0.3788 0.2187-0.0000 ( 1034 PWs) bands (ev): -0.3850 -0.3850 0.6215 0.6215 7.7366 7.7366 9.3747 9.3747 9.7942 9.7942 10.0513 10.0513 11.0274 11.0274 11.9732 11.9732 12.5224 12.5224 15.2188 15.2188 15.7402 15.7402 15.9167 15.9167 16.0427 16.0427 16.1345 16.1345 17.2412 17.2412 18.1431 18.1431 19.9626 19.9626 k = 0.3864 0.2231-0.0000 ( 1036 PWs) bands (ev): -0.3267 -0.3267 0.6192 0.6192 7.6410 7.6410 9.4128 9.4128 9.7830 9.7830 10.0593 10.0593 11.0252 11.0252 11.9629 11.9629 12.5382 12.5382 15.2055 15.2055 15.7557 15.7557 15.8960 15.8960 16.0430 16.0430 16.1423 16.1423 17.2066 17.2066 18.1334 18.1334 20.0066 20.0066 k = 0.3939 0.2274-0.0000 ( 1036 PWs) bands (ev): -0.2707 -0.2707 0.6172 0.6172 7.5496 7.5496 9.4468 9.4468 9.7722 9.7722 10.0676 10.0676 11.0269 11.0269 11.9526 11.9526 12.5542 12.5542 15.1925 15.1925 15.7683 15.7683 15.8761 15.8761 16.0424 16.0424 16.1507 16.1507 17.1728 17.1728 18.1264 18.1264 20.0476 20.0476 k = 0.4015 0.2318-0.0000 ( 1036 PWs) bands (ev): -0.2171 -0.2171 0.6156 0.6156 7.4626 7.4626 9.4768 9.4768 9.7618 9.7618 10.0759 10.0759 11.0321 11.0321 11.9424 11.9424 12.5702 12.5702 15.1799 15.1799 15.7774 15.7774 15.8582 15.8582 16.0407 16.0407 16.1597 16.1597 17.1402 17.1402 18.1217 18.1217 20.0857 20.0857 k = 0.4091 0.2362-0.0000 ( 1038 PWs) bands (ev): -0.1662 -0.1662 0.6144 0.6144 7.3805 7.3805 9.5027 9.5027 9.7519 9.7519 10.0843 10.0843 11.0402 11.0402 11.9323 11.9323 12.5859 12.5859 15.1677 15.1677 15.7812 15.7812 15.8444 15.8444 16.0382 16.0382 16.1692 16.1692 17.1088 17.1088 18.1190 18.1190 20.1208 20.1208 k = 0.4167 0.2406-0.0000 ( 1044 PWs) bands (ev): -0.1183 -0.1183 0.6135 0.6135 7.3034 7.3034 9.5249 9.5249 9.7426 9.7426 10.0925 10.0925 11.0509 11.0509 11.9221 11.9221 12.6011 12.6011 15.1558 15.1558 15.7772 15.7772 15.8373 15.8373 16.0351 16.0351 16.1786 16.1786 17.0791 17.0791 18.1181 18.1181 20.1530 20.1530 k = 0.4242 0.2449-0.0000 ( 1038 PWs) bands (ev): -0.0737 -0.0737 0.6130 0.6130 7.2317 7.2317 9.5438 9.5438 9.7340 9.7340 10.1006 10.1006 11.0635 11.0635 11.9127 11.9127 12.6158 12.6158 15.1448 15.1448 15.7669 15.7669 15.8367 15.8367 16.0317 16.0317 16.1883 16.1883 17.0510 17.0510 18.1185 18.1185 20.1823 20.1823 k = 0.4318 0.2493-0.0000 ( 1038 PWs) bands (ev): -0.0327 -0.0327 0.6128 0.6128 7.1658 7.1658 9.5595 9.5595 9.7260 9.7260 10.1083 10.1083 11.0774 11.0774 11.9037 11.9037 12.6297 12.6297 15.1344 15.1344 15.7529 15.7529 15.8393 15.8393 16.0278 16.0278 16.1977 16.1977 17.0249 17.0249 18.1200 18.1200 20.2087 20.2087 k = 0.4394 0.2537-0.0000 ( 1038 PWs) bands (ev): 0.0046 0.0046 0.6129 0.6129 7.1058 7.1058 9.5725 9.5725 9.7188 9.7188 10.1155 10.1155 11.0919 11.0919 11.8953 11.8953 12.6426 12.6426 15.1248 15.1248 15.7382 15.7382 15.8427 15.8427 16.0237 16.0237 16.2067 16.2067 17.0010 17.0010 18.1222 18.1222 20.2321 20.2321 k = 0.4470 0.2581-0.0000 ( 1038 PWs) bands (ev): 0.0379 0.0379 0.6133 0.6133 7.0522 7.0522 9.5830 9.5830 9.7123 9.7123 10.1221 10.1221 11.1065 11.1065 11.8876 11.8876 12.6544 12.6544 15.1160 15.1160 15.7241 15.7241 15.8462 15.8462 16.0197 16.0197 16.2150 16.2150 16.9793 16.9793 18.1249 18.1249 20.2528 20.2528 k = 0.4545 0.2624-0.0000 ( 1028 PWs) bands (ev): 0.0671 0.0671 0.6140 0.6140 7.0052 7.0052 9.5913 9.5913 9.7067 9.7067 10.1281 10.1281 11.1204 11.1204 11.8811 11.8811 12.6650 12.6650 15.1083 15.1083 15.7113 15.7113 15.8495 15.8495 16.0160 16.0160 16.2227 16.2227 16.9602 16.9602 18.1281 18.1281 20.2708 20.2708 k = 0.4621 0.2668-0.0000 ( 1032 PWs) bands (ev): 0.0919 0.0919 0.6147 0.6147 6.9648 6.9648 9.5978 9.5978 9.7018 9.7018 10.1333 10.1333 11.1332 11.1332 11.8750 11.8750 12.6742 12.6742 15.1015 15.1015 15.6999 15.6999 15.8521 15.8521 16.0125 16.0125 16.2294 16.2294 16.9437 16.9437 18.1308 18.1308 20.2858 20.2858 k = 0.4697 0.2712-0.0000 ( 1028 PWs) bands (ev): 0.1124 0.1124 0.6156 0.6156 6.9316 6.9316 9.6029 9.6029 9.6978 9.6978 10.1378 10.1378 11.1444 11.1444 11.8700 11.8700 12.6818 12.6818 15.0959 15.0959 15.6903 15.6903 15.8543 15.8543 16.0096 16.0096 16.2350 16.2350 16.9301 16.9301 18.1336 18.1336 20.2981 20.2981 k = 0.4773 0.2756-0.0000 ( 1024 PWs) bands (ev): 0.1283 0.1283 0.6164 0.6164 6.9055 6.9055 9.6065 9.6065 9.6947 9.6947 10.1413 10.1413 11.1535 11.1535 11.8660 11.8660 12.6879 12.6879 15.0914 15.0914 15.6830 15.6830 15.8560 15.8560 16.0074 16.0074 16.2395 16.2395 16.9194 16.9194 18.1359 18.1359 20.3076 20.3076 k = 0.4848 0.2799-0.0000 ( 1028 PWs) bands (ev): 0.1397 0.1397 0.6170 0.6170 6.8867 6.8867 9.6089 9.6089 9.6925 9.6925 10.1438 10.1438 11.1603 11.1603 11.8630 11.8630 12.6923 12.6923 15.0881 15.0881 15.6775 15.6775 15.8571 15.8571 16.0056 16.0056 16.2426 16.2426 16.9114 16.9114 18.1375 18.1375 20.3144 20.3144 k = 0.4924 0.2843-0.0000 ( 1028 PWs) bands (ev): 0.1466 0.1466 0.6174 0.6174 6.8754 6.8754 9.6103 9.6103 9.6912 9.6912 10.1454 10.1454 11.1645 11.1645 11.8612 11.8612 12.6949 12.6949 15.0861 15.0861 15.6742 15.6742 15.8577 15.8577 16.0045 16.0045 16.2446 16.2446 16.9067 16.9067 18.1386 18.1386 20.3184 20.3184 k = 0.5000 0.2887-0.0000 ( 1028 PWs) bands (ev): 0.1489 0.1489 0.6176 0.6176 6.8717 6.8717 9.6108 9.6108 9.6907 9.6907 10.1459 10.1459 11.1659 11.1659 11.8606 11.8606 12.6958 12.6958 15.0855 15.0855 15.6730 15.6730 15.8580 15.8580 16.0042 16.0042 16.2452 16.2452 16.9051 16.9051 18.1389 18.1389 20.3198 20.3198 k = 0.5000 0.2887-0.0000 ( 1028 PWs) bands (ev): 0.1489 0.1489 0.6176 0.6176 6.8717 6.8717 9.6108 9.6108 9.6907 9.6907 10.1459 10.1459 11.1659 11.1659 11.8606 11.8606 12.6958 12.6958 15.0855 15.0855 15.6730 15.6730 15.8580 15.8580 16.0042 16.0042 16.2452 16.2452 16.9051 16.9051 18.1389 18.1389 20.3198 20.3198 k = 0.4956 0.2963-0.0000 ( 1028 PWs) bands (ev): 0.1495 0.1495 0.6176 0.6176 6.8728 6.8728 9.6115 9.6115 9.6795 9.6795 10.1580 10.1580 11.1646 11.1646 11.8502 11.8502 12.7035 12.7035 15.0860 15.0860 15.6729 15.6729 15.8596 15.8596 16.0039 16.0039 16.2454 16.2454 16.9049 16.9049 18.1400 18.1400 20.3181 20.3181 k = 0.4912 0.3039-0.0000 ( 1028 PWs) bands (ev): 0.1514 0.1514 0.6176 0.6176 6.8762 6.8762 9.6132 9.6132 9.6493 9.6493 10.1913 10.1913 11.1610 11.1610 11.8200 11.8200 12.7254 12.7254 15.0875 15.0875 15.6726 15.6726 15.8646 15.8646 16.0031 16.0031 16.2459 16.2459 16.9042 16.9042 18.1430 18.1430 20.3128 20.3128 k = 0.4868 0.3115-0.0000 ( 1032 PWs) bands (ev): 0.1545 0.1545 0.6177 0.6177 6.8818 6.8818 9.5990 9.5990 9.6234 9.6234 10.2393 10.2393 11.1550 11.1550 11.7726 11.7726 12.7588 12.7588 15.0899 15.0899 15.6718 15.6718 15.8727 15.8727 16.0017 16.0017 16.2470 16.2470 16.9030 16.9030 18.1481 18.1481 20.3041 20.3041 k = 0.4825 0.3191-0.0000 ( 1032 PWs) bands (ev): 0.1588 0.1588 0.6179 0.6179 6.8896 6.8896 9.5488 9.5488 9.6272 9.6272 10.2968 10.2968 11.1466 11.1466 11.7116 11.7116 12.8007 12.8007 15.0933 15.0933 15.6709 15.6709 15.8836 15.8836 15.9997 15.9997 16.2489 16.2489 16.9013 16.9013 18.1552 18.1552 20.2919 20.2919 k = 0.4781 0.3267-0.0000 ( 1034 PWs) bands (ev): 0.1644 0.1644 0.6180 0.6180 6.8997 6.8997 9.4920 9.4920 9.6349 9.6349 10.3601 10.3601 11.1361 11.1361 11.6399 11.6399 12.8481 12.8481 15.0977 15.0977 15.6694 15.6694 15.8970 15.8970 15.9970 15.9970 16.2520 16.2520 16.8991 16.8991 18.1641 18.1641 20.2760 20.2760 k = 0.4737 0.3343-0.0000 ( 1038 PWs) bands (ev): 0.1711 0.1711 0.6182 0.6182 6.9120 6.9120 9.4327 9.4327 9.6446 9.6446 10.4270 10.4270 11.1232 11.1232 11.5594 11.5594 12.8988 12.8988 15.1029 15.1029 15.6678 15.6678 15.9120 15.9120 15.9937 15.9937 16.2568 16.2568 16.8965 16.8965 18.1750 18.1750 20.2563 20.2563 k = 0.4693 0.3419-0.0000 ( 1034 PWs) bands (ev): 0.1791 0.1791 0.6184 0.6184 6.9265 6.9265 9.3722 9.3722 9.6562 9.6562 10.4962 10.4962 11.1084 11.1084 11.4723 11.4723 12.9514 12.9514 15.1092 15.1092 15.6660 15.6660 15.9279 15.9279 15.9898 15.9898 16.2644 16.2644 16.8937 16.8937 18.1875 18.1875 20.2322 20.2323 k = 0.4649 0.3494-0.0000 ( 1034 PWs) bands (ev): 0.1881 0.1881 0.6187 0.6187 6.9433 6.9433 9.3114 9.3114 9.6694 9.6694 10.5668 10.5668 11.0917 11.0917 11.3799 11.3799 13.0048 13.0048 15.1165 15.1165 15.6637 15.6637 15.9436 15.9436 15.9852 15.9852 16.2753 16.2753 16.8901 16.8901 18.2017 18.2017 20.2023 20.2023 k = 0.4605 0.3570-0.0000 ( 1030 PWs) bands (ev): 0.1983 0.1983 0.6189 0.6189 6.9622 6.9622 9.2510 9.2510 9.6843 9.6843 10.6383 10.6383 11.0733 11.0733 11.2830 11.2830 13.0582 13.0582 15.1246 15.1246 15.6612 15.6612 15.9578 15.9578 15.9801 15.9801 16.2909 16.2909 16.8862 16.8862 18.2176 18.2176 20.1631 20.1631 k = 0.4561 0.3646-0.0000 ( 1030 PWs) bands (ev): 0.2096 0.2096 0.6192 0.6192 6.9833 6.9833 9.1912 9.1912 9.7008 9.7008 10.7099 10.7099 11.0533 11.0533 11.1824 11.1824 13.1110 13.1110 15.1337 15.1337 15.6582 15.6582 15.9676 15.9676 15.9761 15.9761 16.3119 16.3119 16.8818 16.8818 18.2348 18.2348 20.1115 20.1115 k = 0.4518 0.3722-0.0000 ( 1032 PWs) bands (ev): 0.2218 0.2218 0.6195 0.6195 7.0065 7.0065 9.1324 9.1324 9.7189 9.7189 10.7815 10.7815 11.0321 11.0321 11.0785 11.0785 13.1630 13.1630 15.1437 15.1437 15.6546 15.6546 15.9644 15.9644 15.9805 15.9805 16.3393 16.3393 16.8770 16.8770 18.2532 18.2532 20.0510 20.0510 k = 0.4474 0.3798-0.0000 ( 1032 PWs) bands (ev): 0.2350 0.2350 0.6198 0.6198 7.0319 7.0319 9.0748 9.0748 9.7384 9.7384 10.8521 10.8521 10.9722 10.9722 11.0101 11.0101 13.2139 13.2139 15.1545 15.1545 15.6508 15.6508 15.9568 15.9568 15.9852 15.9852 16.3730 16.3730 16.8717 16.8717 18.2728 18.2728 19.9856 19.9856 k = 0.4430 0.3874-0.0000 ( 1032 PWs) bands (ev): 0.2491 0.2491 0.6201 0.6201 7.0593 7.0593 9.0186 9.0186 9.7592 9.7592 10.8636 10.8636 10.9188 10.9188 10.9904 10.9904 13.2637 13.2637 15.1661 15.1661 15.6467 15.6467 15.9478 15.9478 15.9866 15.9866 16.4130 16.4130 16.8661 16.8661 18.2933 18.2933 19.9173 19.9173 k = 0.4386 0.3950-0.0000 ( 1032 PWs) bands (ev): 0.2641 0.2641 0.6204 0.6204 7.0888 7.0888 8.9640 8.9640 9.7813 9.7813 10.7533 10.7533 10.9470 10.9470 11.0075 11.0075 13.3121 13.3121 15.1786 15.1786 15.6422 15.6422 15.9378 15.9378 15.9848 15.9848 16.4589 16.4589 16.8601 16.8601 18.3146 18.3146 19.8471 19.8471 k = 0.4342 0.4026-0.0000 ( 1030 PWs) bands (ev): 0.2799 0.2799 0.6207 0.6207 7.1204 7.1204 8.9110 8.9110 9.8047 9.8047 10.6416 10.6416 10.9271 10.9271 11.0708 11.0708 13.3594 13.3594 15.1918 15.1918 15.6375 15.6375 15.9268 15.9268 15.9802 15.9802 16.5099 16.5099 16.8539 16.8539 18.3366 18.3366 19.7760 19.7760 k = 0.4298 0.4102-0.0000 ( 1030 PWs) bands (ev): 0.2964 0.2964 0.6210 0.6210 7.1540 7.1540 8.8597 8.8597 9.8291 9.8291 10.5287 10.5287 10.9015 10.9015 11.1380 11.1380 13.4052 13.4052 15.2058 15.2058 15.6325 15.6325 15.9148 15.9148 15.9733 15.9733 16.5652 16.5652 16.8473 16.8473 18.3591 18.3591 19.7045 19.7045 k = 0.4254 0.4178-0.0000 ( 1026 PWs) bands (ev): 0.3135 0.3135 0.6213 0.6213 7.1895 7.1895 8.8103 8.8103 9.8546 9.8546 10.4150 10.4150 10.8746 10.8746 11.2046 11.2046 13.4496 13.4496 15.2206 15.2206 15.6270 15.6270 15.9018 15.9018 15.9642 15.9642 16.6251 16.6251 16.8408 16.8408 18.3819 18.3819 19.6331 19.6331 k = 0.4211 0.4254-0.0000 ( 1020 PWs) bands (ev): 0.3312 0.3312 0.6216 0.6216 7.2272 7.2272 8.7629 8.7629 9.8811 9.8811 10.3008 10.3008 10.8470 10.8470 11.2701 11.2701 13.4926 13.4926 15.2359 15.2359 15.6212 15.6212 15.8881 15.8881 15.9534 15.9534 16.6880 16.6880 16.8344 16.8344 18.4050 18.4050 19.5626 19.5626 k = 0.4167 0.4330-0.0000 ( 1016 PWs) bands (ev): 0.3494 0.3494 0.6218 0.6218 7.2666 7.2666 8.7175 8.7175 9.9083 9.9083 10.1863 10.1863 10.8189 10.8189 11.3339 11.3339 13.5343 13.5343 15.2520 15.2520 15.6150 15.6150 15.8735 15.8735 15.9417 15.9417 16.7519 16.7519 16.8298 16.8298 18.4280 18.4280 19.4931 19.4931 k = 0.4123 0.4406-0.0000 ( 1020 PWs) bands (ev): 0.3678 0.3678 0.6220 0.6220 7.3079 7.3079 8.6741 8.6741 9.9363 9.9363 10.0717 10.0717 10.7907 10.7907 11.3958 11.3958 13.5745 13.5745 15.2685 15.2685 15.6085 15.6085 15.8580 15.8580 15.9281 15.9281 16.8000 16.8000 16.8437 16.8437 18.4509 18.4509 19.4252 19.4252 k = 0.4079 0.4482-0.0000 ( 1016 PWs) bands (ev): 0.3866 0.3866 0.6221 0.6221 7.3510 7.3510 8.6330 8.6330 9.9573 9.9573 9.9651 9.9651 10.7624 10.7624 11.4557 11.4557 13.6134 13.6134 15.2857 15.2857 15.6018 15.6018 15.8418 15.8418 15.9138 15.9138 16.8032 16.8032 16.9048 16.9048 18.4736 18.4736 19.3594 19.3594 k = 0.4035 0.4558-0.0000 ( 1016 PWs) bands (ev): 0.4055 0.4055 0.6223 0.6223 7.3960 7.3960 8.5940 8.5940 9.8438 9.8438 9.9939 9.9939 10.7343 10.7343 11.5133 11.5133 13.6509 13.6509 15.3034 15.3034 15.5950 15.5950 15.8250 15.8250 15.8987 15.8987 16.7971 16.7971 16.9773 16.9773 18.4958 18.4958 19.2957 19.2957 k = 0.3991 0.4634-0.0000 ( 1016 PWs) bands (ev): 0.4244 0.4244 0.6223 0.6223 7.4426 7.4426 8.5573 8.5573 9.7309 9.7309 10.0231 10.0231 10.7064 10.7064 11.5685 11.5685 13.6869 13.6869 15.3214 15.3214 15.5880 15.5880 15.8077 15.8077 15.8829 15.8829 16.7896 16.7896 17.0531 17.0531 18.5176 18.5176 19.2347 19.2347 k = 0.3947 0.4710-0.0000 ( 1018 PWs) bands (ev): 0.4431 0.4431 0.6224 0.6224 7.4909 7.4909 8.5229 8.5229 9.6191 9.6191 10.0525 10.0525 10.6788 10.6788 11.6210 11.6210 13.7215 13.7215 15.3397 15.3397 15.5811 15.5811 15.7900 15.7900 15.8665 15.8665 16.7817 16.7817 17.1310 17.1310 18.5385 18.5385 19.1765 19.1765 k = 0.3904 0.4786-0.0000 ( 1014 PWs) bands (ev): 0.4617 0.4617 0.6224 0.6224 7.5410 7.5410 8.4908 8.4908 9.5087 9.5087 10.0820 10.0820 10.6518 10.6518 11.6706 11.6706 13.7547 13.7547 15.3585 15.3585 15.5741 15.5741 15.7721 15.7721 15.8498 15.8498 16.7737 16.7737 17.2106 17.2106 18.5589 18.5589 19.1214 19.1214 k = 0.3860 0.4862-0.0000 ( 1022 PWs) bands (ev): 0.4799 0.4799 0.6224 0.6224 7.5924 7.5924 8.4612 8.4612 9.3998 9.3998 10.1111 10.1111 10.6252 10.6252 11.7172 11.7172 13.7861 13.7861 15.3771 15.3771 15.5672 15.5672 15.7542 15.7542 15.8326 15.8326 16.7657 16.7657 17.2914 17.2914 18.5783 18.5783 19.0693 19.0693 k = 0.3816 0.4938-0.0000 ( 1022 PWs) bands (ev): 0.4976 0.4976 0.6223 0.6223 7.6455 7.6455 8.4340 8.4340 9.2927 9.2927 10.1400 10.1400 10.5995 10.5995 11.7607 11.7607 13.8158 13.8158 15.3958 15.3958 15.5607 15.5607 15.7364 15.7364 15.8152 15.8152 16.7578 16.7578 17.3734 17.3734 18.5970 18.5970 19.0207 19.0207 k = 0.3772 0.5014-0.0000 ( 1022 PWs) bands (ev): 0.5146 0.5146 0.6222 0.6222 7.7000 7.7000 8.4093 8.4093 9.1878 9.1878 10.1685 10.1685 10.5745 10.5745 11.8008 11.8008 13.8437 13.8437 15.4142 15.4142 15.5546 15.5546 15.7189 15.7189 15.7976 15.7976 16.7502 16.7502 17.4564 17.4564 18.6147 18.6147 18.9754 18.9754 k = 0.3728 0.5090-0.0000 ( 1026 PWs) bands (ev): 0.5308 0.5308 0.6221 0.6221 7.7559 7.7559 8.3871 8.3871 9.0853 9.0853 10.1962 10.1962 10.5503 10.5503 11.8373 11.8373 13.8696 13.8696 15.4319 15.4319 15.5493 15.5493 15.7018 15.7018 15.7799 15.7799 16.7428 16.7428 17.5401 17.5401 18.6313 18.6313 18.9329 18.9329 k = 0.3684 0.5166-0.0000 ( 1026 PWs) bands (ev): 0.5461 0.5461 0.6220 0.6220 7.8131 7.8131 8.3674 8.3674 8.9853 8.9853 10.2231 10.2231 10.5272 10.5272 11.8703 11.8703 13.8935 13.8935 15.4486 15.4486 15.5454 15.5454 15.6857 15.6857 15.7622 15.7622 16.7359 16.7359 17.6243 17.6243 18.6468 18.6468 18.8916 18.8916 k = 0.3640 0.5242-0.0000 ( 1026 PWs) bands (ev): 0.5601 0.5601 0.6219 0.6219 7.8716 7.8716 8.3503 8.3503 8.8883 8.8883 10.2490 10.2490 10.5051 10.5051 11.8995 11.8995 13.9153 13.9153 15.4634 15.4634 15.5436 15.5436 15.6707 15.6707 15.7446 15.7446 16.7295 16.7295 17.7088 17.7088 18.6609 18.6609 18.8442 18.8442 k = 0.3596 0.5318-0.0000 ( 1026 PWs) bands (ev): 0.5726 0.5726 0.6219 0.6219 7.9313 7.9313 8.3358 8.3358 8.7944 8.7944 10.2736 10.2736 10.4841 10.4841 11.9250 11.9250 13.9346 13.9346 15.4750 15.4750 15.5452 15.5452 15.6570 15.6570 15.7271 15.7271 16.7236 16.7236 17.7934 17.7934 18.6735 18.6735 18.7792 18.7792 k = 0.3553 0.5394-0.0000 ( 1026 PWs) bands (ev): 0.5836 0.5836 0.6221 0.6221 7.9920 7.9920 8.3238 8.3238 8.7039 8.7039 10.2969 10.2969 10.4644 10.4644 11.9465 11.9465 13.9514 13.9514 15.4824 15.4824 15.5511 15.5511 15.6449 15.6449 15.7100 15.7100 16.7184 16.7184 17.8779 17.8779 18.6817 18.6817 18.7063 18.7063 k = 0.3509 0.5470-0.0000 ( 1030 PWs) bands (ev): 0.5925 0.5925 0.6226 0.6226 8.0537 8.0537 8.3144 8.3144 8.6171 8.6171 10.3185 10.3185 10.4459 10.4459 11.9640 11.9640 13.9654 13.9654 15.4856 15.4856 15.5610 15.5610 15.6344 15.6344 15.6933 15.6933 16.7140 16.7140 17.9621 17.9621 18.6214 18.6214 18.6969 18.6969 k = 0.3465 0.5546-0.0000 ( 1032 PWs) bands (ev): 0.5992 0.5992 0.6235 0.6235 8.1162 8.1162 8.3077 8.3077 8.5341 8.5341 10.3384 10.3384 10.4288 10.4288 11.9777 11.9777 13.9766 13.9766 15.4863 15.4863 15.5735 15.5735 15.6261 15.6261 15.6774 15.6774 16.7104 16.7104 18.0455 18.0455 18.5415 18.5415 18.7039 18.7039 k = 0.3421 0.5622-0.0000 ( 1036 PWs) bands (ev): 0.6035 0.6035 0.6248 0.6248 8.1795 8.1795 8.3035 8.3035 8.4554 8.4554 10.3561 10.3561 10.4130 10.4130 11.9873 11.9873 13.9848 13.9848 15.4859 15.4859 15.5865 15.5865 15.6199 15.6199 15.6627 15.6627 16.7078 16.7078 18.1277 18.1277 18.4612 18.4612 18.7090 18.7090 k = 0.3377 0.5698-0.0000 ( 1038 PWs) bands (ev): 0.6058 0.6058 0.6260 0.6260 8.2427 8.2427 8.3023 8.3023 8.3816 8.3816 10.3715 10.3715 10.3990 10.3990 11.9930 11.9930 13.9898 13.9898 15.4853 15.4853 15.5978 15.5978 15.6160 15.6160 15.6510 15.6510 16.7063 16.7063 18.2072 18.2072 18.3827 18.3827 18.7116 18.7116 k = 0.3333 0.5774-0.0000 ( 1038 PWs) bands (ev): 0.6065 0.6065 0.6265 0.6265 8.2881 8.2881 8.3172 8.3172 8.3173 8.3173 10.3813 10.3813 10.3896 10.3896 11.9949 11.9949 13.9915 13.9915 15.4850 15.4850 15.6028 15.6028 15.6146 15.6146 15.6459 15.6459 16.7057 16.7057 18.2624 18.2624 18.3279 18.3279 18.7122 18.7122 k = 0.3333 0.5774-0.0000 ( 1038 PWs) bands (ev): 0.6065 0.6065 0.6265 0.6265 8.2881 8.2881 8.3172 8.3172 8.3173 8.3173 10.3813 10.3813 10.3896 10.3896 11.9949 11.9949 13.9915 13.9915 15.4850 15.4850 15.6028 15.6028 15.6146 15.6146 15.6459 15.6459 16.7057 16.7057 18.2624 18.2624 18.3279 18.3279 18.7122 18.7122 k = 0.3289 0.5698-0.0000 ( 1038 PWs) bands (ev): 0.6059 0.6059 0.6259 0.6259 8.2423 8.2423 8.3067 8.3067 8.3776 8.3776 10.3734 10.3734 10.3970 10.3970 11.9930 11.9930 13.9898 13.9898 15.4853 15.4853 15.5983 15.5983 15.6157 15.6157 15.6507 15.6507 16.7063 16.7063 18.2080 18.2080 18.3819 18.3819 18.7121 18.7121 k = 0.3246 0.5622-0.0000 ( 1038 PWs) bands (ev): 0.6039 0.6039 0.6240 0.6240 8.1831 8.1831 8.3124 8.3124 8.4431 8.4431 10.3640 10.3640 10.4048 10.4048 11.9876 11.9876 13.9846 13.9846 15.4864 15.4864 15.5890 15.5890 15.6187 15.6187 15.6613 15.6613 16.7079 16.7079 18.1312 18.1312 18.4576 18.4576 18.7125 18.7125 k = 0.3202 0.5546-0.0000 ( 1034 PWs) bands (ev): 0.6000 0.6000 0.6214 0.6214 8.1283 8.1283 8.3211 8.3211 8.5095 8.5095 10.3560 10.3560 10.4099 10.4099 11.9786 11.9786 13.9760 13.9760 15.4879 15.4879 15.5791 15.5791 15.6238 15.6238 15.6737 15.6737 16.7105 16.7105 18.0536 18.0536 18.5336 18.5336 18.7143 18.7143 k = 0.3158 0.5470-0.0000 ( 1022 PWs) bands (ev): 0.5933 0.5933 0.6189 0.6189 8.0787 8.0787 8.3324 8.3324 8.5763 8.5763 10.3497 10.3497 10.4121 10.4121 11.9664 11.9664 13.9640 13.9640 15.4896 15.4896 15.5707 15.5707 15.6312 15.6312 15.6863 15.6863 16.7140 16.7140 17.9768 17.9768 18.6080 18.6080 18.7177 18.7177 k = 0.3114 0.5394-0.0000 ( 1022 PWs) bands (ev): 0.5831 0.5831 0.6168 0.6168 8.0343 8.0343 8.3461 8.3461 8.6434 8.6434 10.3450 10.3450 10.4111 10.4111 11.9510 11.9510 13.9487 13.9487 15.4901 15.4901 15.5652 15.5652 15.6403 15.6403 15.6987 15.6987 16.7183 16.7183 17.9014 17.9014 18.6783 18.6783 18.7225 18.7225 k = 0.3070 0.5318-0.0000 ( 1022 PWs) bands (ev): 0.5694 0.5694 0.6153 0.6153 7.9955 7.9955 8.3622 8.3622 8.7106 8.7106 10.3420 10.3420 10.4069 10.4069 11.9328 11.9328 13.9301 13.9301 15.4883 15.4883 15.5640 15.5640 15.6513 15.6513 15.7106 15.7106 16.7230 16.7230 17.8280 17.8280 18.7258 18.7258 18.7416 18.7416 k = 0.3026 0.5242-0.0000 ( 1028 PWs) bands (ev): 0.5521 0.5521 0.6142 0.6142 7.9621 7.9621 8.3807 8.3807 8.7777 8.7777 10.3406 10.3406 10.3992 10.3992 11.9118 11.9118 13.9082 13.9082 15.4838 15.4838 15.5677 15.5677 15.6638 15.6638 15.7222 15.7222 16.7278 16.7278 17.7569 17.7569 18.7334 18.7334 18.7713 18.7713 k = 0.2982 0.5166-0.0000 ( 1028 PWs) bands (ev): 0.5315 0.5315 0.6134 0.6134 7.9347 7.9347 8.4017 8.4017 8.8448 8.8448 10.3412 10.3412 10.3881 10.3881 11.8884 11.8884 13.8836 13.8836 15.4771 15.4771 15.5760 15.5760 15.6778 15.6778 15.7335 15.7335 16.7323 16.7323 17.6887 17.6887 18.7401 18.7401 18.7823 18.7823 k = 0.2939 0.5090-0.0000 ( 1030 PWs) bands (ev): 0.5075 0.5075 0.6129 0.6129 7.9130 7.9130 8.4250 8.4250 8.9117 8.9117 10.3435 10.3435 10.3736 10.3736 11.8628 11.8628 13.8563 13.8563 15.4692 15.4692 15.5875 15.5875 15.6928 15.6928 15.7446 15.7446 16.7360 16.7360 17.6242 17.6242 18.7463 18.7463 18.7906 18.7906 k = 0.2895 0.5014-0.0000 ( 1030 PWs) bands (ev): 0.4803 0.4803 0.6125 0.6125 7.8971 7.8971 8.4506 8.4506 8.9783 8.9783 10.3465 10.3465 10.3566 10.3566 11.8352 11.8352 13.8265 13.8265 15.4607 15.4607 15.6019 15.6019 15.7088 15.7088 15.7558 15.7558 16.7380 16.7380 17.5639 17.5639 18.7515 18.7515 18.7995 18.7995 k = 0.2851 0.4938-0.0000 ( 1030 PWs) bands (ev): 0.4498 0.4498 0.6122 0.6122 7.8871 7.8871 8.4785 8.4785 9.0445 9.0445 10.3322 10.3322 10.3552 10.3552 11.8060 11.8060 13.7944 13.7944 15.4521 15.4521 15.6182 15.6182 15.7250 15.7250 15.7676 15.7676 16.7374 16.7374 17.5088 17.5088 18.7556 18.7556 18.8099 18.8099 k = 0.2807 0.4862-0.0000 ( 1030 PWs) bands (ev): 0.4161 0.4161 0.6121 0.6121 7.8828 7.8828 8.5085 8.5085 9.1102 9.1102 10.3069 10.3069 10.3630 10.3630 11.7753 11.7753 13.7603 13.7603 15.4437 15.4437 15.6361 15.6361 15.7408 15.7408 15.7806 15.7806 16.7333 16.7333 17.4598 17.4598 18.7589 18.7589 18.8217 18.8217 k = 0.2763 0.4786-0.0000 ( 1034 PWs) bands (ev): 0.3793 0.3793 0.6122 0.6122 7.8843 7.8843 8.5406 8.5406 9.1752 9.1752 10.2777 10.2777 10.3730 10.3730 11.7435 11.7435 13.7243 13.7243 15.4357 15.4357 15.6552 15.6552 15.7553 15.7553 15.7957 15.7957 16.7240 16.7240 17.4179 17.4179 18.7615 18.7615 18.8346 18.8346 k = 0.2719 0.4710-0.0000 ( 1030 PWs) bands (ev): 0.3395 0.3395 0.6124 0.6124 7.8915 7.8915 8.5748 8.5748 9.2395 9.2395 10.2449 10.2449 10.3851 10.3851 11.7108 11.7108 13.6867 13.6867 15.4283 15.4283 15.6751 15.6751 15.7681 15.7681 15.8132 15.8132 16.7096 16.7096 17.3842 17.3842 18.7641 18.7641 18.8483 18.8483 k = 0.2675 0.4634-0.0000 ( 1034 PWs) bands (ev): 0.2967 0.2967 0.6127 0.6127 7.9043 7.9043 8.6107 8.6107 9.3029 9.3029 10.2084 10.2084 10.3991 10.3991 11.6774 11.6774 13.6477 13.6477 15.4213 15.4213 15.6956 15.6956 15.7794 15.7794 15.8329 15.8329 16.6886 16.6886 17.3591 17.3591 18.7667 18.7667 18.8623 18.8623 k = 0.2632 0.4558-0.0000 ( 1030 PWs) bands (ev): 0.2510 0.2510 0.6132 0.6132 7.9226 7.9226 8.6487 8.6487 9.3654 9.3654 10.1685 10.1685 10.4151 10.4151 11.6436 11.6436 13.6075 13.6075 15.4150 15.4150 15.7164 15.7164 15.7897 15.7897 15.8542 15.8542 16.6616 16.6616 17.3426 17.3426 18.7698 18.7698 18.8766 18.8766 k = 0.2588 0.4482-0.0000 ( 1030 PWs) bands (ev): 0.2027 0.2027 0.6139 0.6139 7.9462 7.9462 8.6885 8.6885 9.4268 9.4268 10.1251 10.1251 10.4331 10.4331 11.6096 11.6096 13.5663 13.5663 15.4094 15.4094 15.7371 15.7371 15.7995 15.7995 15.8766 15.8766 16.6280 16.6280 17.3344 17.3344 18.7736 18.7736 18.8910 18.8910 k = 0.2544 0.4406-0.0000 ( 1028 PWs) bands (ev): 0.1518 0.1518 0.6147 0.6147 7.9750 7.9750 8.7299 8.7299 9.4871 9.4871 10.0785 10.0785 10.4532 10.4532 11.5757 11.5757 13.5243 13.5243 15.4045 15.4045 15.7577 15.7577 15.8091 15.8091 15.8999 15.8999 16.5890 16.5890 17.3335 17.3335 18.7782 18.7782 18.9053 18.9053 k = 0.2500 0.4330-0.0000 ( 1032 PWs) bands (ev): 0.0985 0.0985 0.6157 0.6157 8.0088 8.0088 8.7728 8.7728 9.5462 9.5462 10.0287 10.0287 10.4752 10.4752 11.5421 11.5421 13.4816 13.4816 15.4003 15.4003 15.7774 15.7774 15.8187 15.8187 15.9236 15.9236 16.5456 16.5456 17.3388 17.3388 18.7840 18.7840 18.9191 18.9191 k = 0.2456 0.4254-0.0000 ( 1030 PWs) bands (ev): 0.0429 0.0429 0.6169 0.6169 8.0475 8.0475 8.8172 8.8172 9.6040 9.6040 9.9758 9.9758 10.4994 10.4994 11.5092 11.5092 13.4385 13.4385 15.3969 15.3969 15.7962 15.7962 15.8288 15.8288 15.9477 15.9477 16.4987 16.4987 17.3493 17.3493 18.7911 18.7911 18.9328 18.9328 k = 0.2412 0.4178-0.0000 ( 1026 PWs) bands (ev): -0.0148 -0.0148 0.6183 0.6183 8.0908 8.0908 8.8629 8.8629 9.6604 9.6604 9.9201 9.9201 10.5255 10.5255 11.4771 11.4771 13.3951 13.3951 15.3944 15.3944 15.8131 15.8131 15.8397 15.8397 15.9719 15.9719 16.4493 16.4493 17.3639 17.3639 18.7997 18.7997 18.9461 18.9461 k = 0.2368 0.4102-0.0000 ( 1032 PWs) bands (ev): -0.0744 -0.0744 0.6199 0.6199 8.1384 8.1384 8.9097 8.9097 9.7153 9.7153 9.8617 9.8617 10.5537 10.5537 11.4461 11.4461 13.3516 13.3516 15.3922 15.3922 15.8277 15.8277 15.8514 15.8514 15.9959 15.9959 16.3982 16.3982 17.3816 17.3816 18.8099 18.8099 18.9589 18.9589 k = 0.2325 0.4026-0.0000 ( 1032 PWs) bands (ev): -0.1358 -0.1358 0.6216 0.6216 8.1903 8.1903 8.9575 8.9575 9.7684 9.7684 9.8012 9.8012 10.5840 10.5840 11.4165 11.4165 13.3080 13.3080 15.3910 15.3910 15.8401 15.8401 15.8642 15.8642 16.0199 16.0199 16.3460 16.3460 17.4020 17.4020 18.8221 18.8221 18.9713 18.9713 k = 0.2281 0.3950-0.0000 ( 1032 PWs) bands (ev): -0.1987 -0.1987 0.6236 0.6236 8.2462 8.2462 9.0060 9.0060 9.7372 9.7372 9.8209 9.8209 10.6163 10.6163 11.3885 11.3885 13.2647 13.2647 15.3904 15.3904 15.8508 15.8508 15.8771 15.8771 16.0435 16.0435 16.2932 16.2932 17.4245 17.4245 18.8362 18.8362 18.9833 18.9833 k = 0.2237 0.3874-0.0000 ( 1032 PWs) bands (ev): -0.2631 -0.2631 0.6258 0.6258 8.3058 8.3058 9.0551 9.0551 9.6718 9.6718 9.8712 9.8712 10.6508 10.6508 11.3624 11.3624 13.2218 13.2218 15.3908 15.3908 15.8602 15.8602 15.8889 15.8889 16.0666 16.0666 16.2405 16.2405 17.4485 17.4485 18.8525 18.8525 18.9949 18.9949 k = 0.2193 0.3798-0.0000 ( 1030 PWs) bands (ev): -0.3286 -0.3286 0.6282 0.6282 8.3687 8.3687 9.1046 9.1046 9.6044 9.6044 9.9199 9.9199 10.6873 10.6873 11.3386 11.3386 13.1792 13.1792 15.3917 15.3917 15.8686 15.8686 15.8998 15.8998 16.0889 16.0889 16.1883 16.1883 17.4737 17.4737 18.8711 18.8711 19.0062 19.0062 k = 0.2149 0.3722-0.0000 ( 1036 PWs) bands (ev): -0.3953 -0.3953 0.6307 0.6307 8.4349 8.4349 9.1541 9.1541 9.5351 9.5351 9.9669 9.9669 10.7257 10.7257 11.3171 11.3171 13.1371 13.1371 15.3932 15.3932 15.8757 15.8757 15.9090 15.9090 16.1088 16.1088 16.1386 16.1386 17.4997 17.4997 18.8920 18.8920 19.0171 19.0171 k = 0.2105 0.3646-0.0000 ( 1036 PWs) bands (ev): -0.4628 -0.4628 0.6335 0.6335 8.5040 8.5040 9.2034 9.2034 9.4643 9.4643 10.0125 10.0125 10.7663 10.7663 11.2984 11.2984 13.0957 13.0957 15.3955 15.3955 15.8806 15.8806 15.9165 15.9165 16.0858 16.0858 16.1332 16.1332 17.5263 17.5263 18.9154 18.9154 19.0280 19.0280 k = 0.2061 0.3570-0.0000 ( 1036 PWs) bands (ev): -0.5311 -0.5311 0.6364 0.6364 8.5756 8.5756 9.2522 9.2522 9.3922 9.3922 10.0565 10.0565 10.8089 10.8089 11.2829 11.2829 13.0552 13.0552 15.3984 15.3984 15.8815 15.8815 15.9221 15.9221 16.0417 16.0417 16.1520 16.1520 17.5534 17.5534 18.9413 18.9413 19.0388 19.0388 k = 0.2018 0.3494-0.0000 ( 1034 PWs) bands (ev): -0.5999 -0.5999 0.6395 0.6395 8.6495 8.6495 9.2985 9.2985 9.3206 9.3206 10.0990 10.0990 10.8536 10.8536 11.2707 11.2707 13.0156 13.0156 15.4019 15.4019 15.8743 15.8743 15.9256 15.9256 16.0056 16.0056 16.1700 16.1700 17.5807 17.5807 18.9697 18.9697 19.0498 19.0498 k = 0.1974 0.3419-0.0000 ( 1034 PWs) bands (ev): -0.6691 -0.6691 0.6428 0.6428 8.7253 8.7253 9.2434 9.2434 9.3483 9.3483 10.1403 10.1403 10.9004 10.9004 11.2623 11.2623 12.9770 12.9770 15.4060 15.4060 15.8535 15.8535 15.9269 15.9269 15.9833 15.9833 16.1866 16.1866 17.6080 17.6080 19.0007 19.0007 19.0610 19.0610 k = 0.1930 0.3343-0.0000 ( 1038 PWs) bands (ev): -0.7386 -0.7386 0.6463 0.6463 8.8027 8.8027 9.1682 9.1682 9.3939 9.3939 10.1802 10.1802 10.9490 10.9490 11.2579 11.2579 12.9396 12.9396 15.4106 15.4106 15.8192 15.8192 15.9258 15.9258 15.9751 15.9751 16.2014 16.2014 17.6353 17.6353 19.0341 19.0341 19.0728 19.0728 k = 0.1886 0.3267-0.0000 ( 1042 PWs) bands (ev): -0.8082 -0.8082 0.6499 0.6499 8.8812 8.8812 9.0923 9.0923 9.4378 9.4378 10.2191 10.2191 10.9998 10.9998 11.2579 11.2579 12.9035 12.9035 15.4156 15.4156 15.7770 15.7770 15.9224 15.9224 15.9754 15.9754 16.2142 16.2142 17.6625 17.6625 19.0700 19.0700 19.0851 19.0851 k = 0.1842 0.3191-0.0000 ( 1041 PWs) bands (ev): -0.8778 -0.8778 0.6537 0.6537 8.9599 8.9599 9.0163 9.0163 9.4798 9.4798 10.2573 10.2573 11.0526 11.0526 11.2627 11.2627 12.8688 12.8688 15.4211 15.4211 15.7315 15.7315 15.9170 15.9170 15.9798 15.9798 16.2250 16.2250 17.6895 17.6895 19.0983 19.0983 19.1083 19.1083 k = 0.1798 0.3115-0.0000 ( 1041 PWs) bands (ev): -0.9472 -0.9472 0.6576 0.6576 8.9385 8.9385 9.0404 9.0404 9.5195 9.5195 10.2949 10.2949 11.1074 11.1074 11.2724 11.2724 12.8356 12.8356 15.4268 15.4268 15.6850 15.6850 15.9095 15.9095 15.9862 15.9862 16.2334 16.2334 17.7162 17.7162 19.1126 19.1126 19.1486 19.1486 k = 0.1754 0.3039-0.0000 ( 1037 PWs) bands (ev): -1.0164 -1.0164 0.6618 0.6618 8.8617 8.8617 9.1194 9.1194 9.5567 9.5567 10.3322 10.3322 11.1642 11.1642 11.2875 11.2875 12.8040 12.8040 15.4324 15.4324 15.6388 15.6388 15.9000 15.9000 15.9935 15.9935 16.2393 16.2393 17.7425 17.7425 19.1280 19.1280 19.1484 19.1484 k = 0.1711 0.2963-0.0000 ( 1039 PWs) bands (ev): -1.0851 -1.0851 0.6660 0.6660 8.7848 8.7848 9.1976 9.1976 9.5910 9.5910 10.3696 10.3696 11.2228 11.2228 11.3079 11.3079 12.7742 12.7742 15.4375 15.4375 15.5936 15.5936 15.8883 15.8883 16.0013 16.0013 16.2424 16.2424 17.7684 17.7684 19.0905 19.0905 19.1457 19.1457 k = 0.1667 0.2887-0.0000 ( 1035 PWs) bands (ev): -1.1533 -1.1533 0.6703 0.6703 8.7081 8.7081 9.2742 9.2742 9.6226 9.6226 10.4077 10.4077 11.2831 11.2831 11.3342 11.3342 12.7459 12.7459 15.4404 15.4404 15.5513 15.5513 15.8750 15.8750 16.0093 16.0093 16.2430 16.2430 17.7938 17.7938 19.0290 19.0290 19.1644 19.1644 k = 0.1623 0.2811-0.0000 ( 1035 PWs) bands (ev): -1.2209 -1.2209 0.6748 0.6748 8.6316 8.6316 9.3487 9.3487 9.6510 9.6510 10.4470 10.4470 11.3436 11.3436 11.3675 11.3675 12.7198 12.7198 15.4365 15.4365 15.5167 15.5167 15.8599 15.8599 16.0173 16.0173 16.2405 16.2405 17.8187 17.8187 18.9635 18.9635 19.1848 19.1848 k = 0.1579 0.2735-0.0000 ( 1035 PWs) bands (ev): -1.2878 -1.2878 0.6793 0.6793 8.5556 8.5556 9.4201 9.4201 9.6765 9.6765 10.4878 10.4878 11.3955 11.3955 11.4169 11.4169 12.6958 12.6958 15.4171 15.4171 15.4987 15.4987 15.8431 15.8431 16.0252 16.0252 16.2349 16.2349 17.8430 17.8430 18.8943 18.8943 19.2072 19.2072 k = 0.1535 0.2659-0.0000 ( 1039 PWs) bands (ev): -1.3538 -1.3538 0.6839 0.6839 8.4803 8.4803 9.4878 9.4878 9.6990 9.6990 10.5308 10.5308 11.4398 11.4398 11.4809 11.4809 12.6741 12.6741 15.3827 15.3827 15.4963 15.4963 15.8247 15.8247 16.0329 16.0329 16.2261 16.2261 17.8668 17.8668 18.8215 18.8215 19.2316 19.2316 k = 0.1491 0.2583-0.0000 ( 1039 PWs) bands (ev): -1.4188 -1.4188 0.6886 0.6886 8.4057 8.4057 9.5511 9.5511 9.7187 9.7187 10.5765 10.5765 11.4874 11.4874 11.5489 11.5489 12.6547 12.6547 15.3428 15.3428 15.5008 15.5008 15.8048 15.8048 16.0405 16.0405 16.2142 16.2142 17.8899 17.8899 18.7454 18.7454 19.2581 19.2581 k = 0.1447 0.2507-0.0000 ( 1039 PWs) bands (ev): -1.4828 -1.4828 0.6934 0.6934 8.3319 8.3319 9.6093 9.6093 9.7358 9.7358 10.6252 10.6252 11.5393 11.5393 11.6191 11.6191 12.6378 12.6378 15.3015 15.3015 15.5078 15.5078 15.7835 15.7835 16.0478 16.0478 16.1992 16.1992 17.9125 17.9125 18.6660 18.6660 19.2869 19.2869 k = 0.1404 0.2431-0.0000 ( 1039 PWs) bands (ev): -1.5458 -1.5458 0.6982 0.6982 8.2592 8.2592 9.6620 9.6620 9.7504 9.7504 10.6772 10.6772 11.5956 11.5956 11.6913 11.6913 12.6236 12.6236 15.2601 15.2601 15.5160 15.5160 15.7609 15.7609 16.0547 16.0547 16.1812 16.1812 17.9344 17.9344 18.5836 18.5836 19.3179 19.3179 k = 0.1360 0.2355-0.0000 ( 1043 PWs) bands (ev): -1.6075 -1.6075 0.7030 0.7030 8.1876 8.1876 9.7087 9.7087 9.7630 9.7630 10.7325 10.7325 11.6559 11.6559 11.7654 11.7654 12.6123 12.6123 15.2187 15.2187 15.5246 15.5246 15.7371 15.7371 16.0612 16.0612 16.1601 16.1601 17.9556 17.9556 18.4984 18.4984 19.3512 19.3512 k = 0.1316 0.2279-0.0000 ( 1039 PWs) bands (ev): -1.6679 -1.6679 0.7078 0.7078 8.1173 8.1173 9.7492 9.7492 9.7740 9.7740 10.7911 10.7911 11.7201 11.7201 11.8414 11.8414 12.6043 12.6043 15.1784 15.1784 15.5337 15.5337 15.7123 15.7123 16.0667 16.0667 16.1366 16.1366 17.9761 17.9761 18.4106 18.4106 19.3869 19.3869 k = 0.1272 0.2203-0.0000 ( 1039 PWs) bands (ev): -1.7270 -1.7270 0.7127 0.7127 8.0483 8.0483 9.7791 9.7791 9.7878 9.7878 10.8523 10.8523 11.7878 11.7878 11.9192 11.9192 12.5996 12.5996 15.1390 15.1390 15.5426 15.5426 15.6866 15.6866 16.0697 16.0697 16.1124 16.1124 17.9960 17.9960 18.3202 18.3202 19.4247 19.4247 k = 0.1228 0.2127-0.0000 ( 1043 PWs) bands (ev): -1.7847 -1.7847 0.7175 0.7175 7.9807 7.9807 9.7887 9.7887 9.8150 9.8150 10.9153 10.9153 11.8585 11.8585 11.9987 11.9987 12.5985 12.5985 15.1004 15.1004 15.5512 15.5512 15.6602 15.6602 16.0617 16.0617 16.0959 16.0959 18.0152 18.0152 18.2275 18.2275 19.4646 19.4646 k = 0.1184 0.2051-0.0000 ( 1043 PWs) bands (ev): -1.8409 -1.8409 0.7223 0.7223 7.9147 7.9147 9.7951 9.7951 9.8390 9.8390 10.9796 10.9796 11.9319 11.9319 12.0800 12.0800 12.6016 12.6016 15.0629 15.0629 15.5589 15.5589 15.6336 15.6336 16.0353 16.0353 16.0946 16.0946 18.0337 18.0337 18.1328 18.1328 19.5067 19.5067 k = 0.1140 0.1975-0.0000 ( 1043 PWs) bands (ev): -1.8955 -1.8955 0.7270 0.7270 7.8503 7.8503 9.8004 9.8004 9.8586 9.8586 11.0443 11.0443 12.0078 12.0078 12.1629 12.1629 12.6090 12.6090 15.0264 15.0264 15.5639 15.5639 15.6087 15.6087 16.0011 16.0011 16.0982 16.0982 18.0360 18.0360 18.0518 18.0518 19.5507 19.5507 k = 0.1096 0.1899-0.0000 ( 1043 PWs) bands (ev): -1.9486 -1.9486 0.7317 0.7317 7.7877 7.7877 9.8047 9.8047 9.8740 9.8740 11.1083 11.1083 12.0858 12.0858 12.2475 12.2475 12.6212 12.6212 14.9911 14.9911 15.5573 15.5573 15.5942 15.5942 15.9631 15.9631 16.1028 16.1028 17.9379 17.9379 18.0687 18.0687 19.5967 19.5967 k = 0.1053 0.1823-0.0000 ( 1039 PWs) bands (ev): -2.0000 -2.0000 0.7364 0.7364 7.7269 7.7269 9.8085 9.8085 9.8858 9.8858 11.1707 11.1707 12.1656 12.1656 12.3339 12.3339 12.6385 12.6385 14.9570 14.9570 15.5342 15.5342 15.5951 15.5951 15.9222 15.9222 16.1075 16.1075 17.8382 17.8382 18.0852 18.0852 19.6444 19.6444 k = 0.1009 0.1747-0.0000 ( 1045 PWs) bands (ev): -2.0496 -2.0496 0.7409 0.7409 7.6680 7.6680 9.8115 9.8115 9.8944 9.8944 11.2304 11.2304 12.2468 12.2468 12.4217 12.4217 12.6612 12.6612 14.9239 14.9239 15.5051 15.5051 15.6005 15.6005 15.8789 15.8789 16.1121 16.1121 17.7370 17.7370 18.1008 18.1008 19.6935 19.6935 k = 0.0965 0.1671-0.0000 ( 1045 PWs) bands (ev): -2.0975 -2.0975 0.7454 0.7454 7.6110 7.6110 9.8143 9.8143 9.9003 9.9003 11.2869 11.2869 12.3293 12.3293 12.5110 12.5110 12.6896 12.6896 14.8920 14.8920 15.4741 15.4741 15.6066 15.6066 15.8333 15.8333 16.1165 16.1165 17.6351 17.6351 18.1158 18.1158 19.7441 19.7441 k = 0.0921 0.1595-0.0000 ( 1045 PWs) bands (ev): -2.1436 -2.1436 0.7498 0.7498 7.5562 7.5562 9.8167 9.8167 9.9039 9.9039 11.3395 11.3395 12.4127 12.4127 12.6018 12.6018 12.7238 12.7238 14.8614 14.8614 15.4420 15.4420 15.6122 15.6122 15.7858 15.7858 16.1206 16.1206 17.5325 17.5325 18.1301 18.1301 19.7959 19.7959 k = 0.0877 0.1519-0.0000 ( 1045 PWs) bands (ev): -2.1878 -2.1878 0.7540 0.7540 7.5034 7.5034 9.8189 9.8189 9.9056 9.9056 11.3876 11.3876 12.4968 12.4968 12.6940 12.6940 12.7639 12.7639 14.8320 14.8320 15.4089 15.4089 15.6170 15.6170 15.7364 15.7364 16.1246 16.1246 17.4294 17.4294 18.1437 18.1437 19.8486 19.8486 k = 0.0833 0.1443-0.0000 ( 1043 PWs) bands (ev): -2.2301 -2.2301 0.7581 0.7581 7.4528 7.4528 9.8211 9.8211 9.9058 9.9058 11.4311 11.4311 12.5814 12.5814 12.7874 12.7874 12.8097 12.8097 14.8040 14.8040 15.3752 15.3752 15.6205 15.6205 15.6855 15.6855 16.1283 16.1283 17.3262 17.3262 18.1566 18.1566 19.9021 19.9021 k = 0.0789 0.1367-0.0000 ( 1043 PWs) bands (ev): -2.2704 -2.2704 0.7621 0.7621 7.4044 7.4044 9.8230 9.8230 9.9045 9.9045 11.4696 11.4696 12.6662 12.6662 12.8604 12.8604 12.8826 12.8826 14.7772 14.7772 15.3408 15.3408 15.6210 15.6210 15.6347 15.6347 16.1317 16.1317 17.2233 17.2233 18.1689 18.1689 19.9562 19.9562 k = 0.0746 0.1291-0.0000 ( 1047 PWs) bands (ev): -2.3088 -2.3088 0.7659 0.7659 7.3584 7.3584 9.8248 9.8248 9.9022 9.9022 11.5034 11.5034 12.7510 12.7510 12.9163 12.9163 12.9786 12.9786 14.7517 14.7517 15.3057 15.3057 15.5781 15.5781 15.6241 15.6241 16.1345 16.1345 17.1212 17.1212 18.1804 18.1804 20.0104 20.0104 k = 0.0702 0.1215-0.0000 ( 1047 PWs) bands (ev): -2.3452 -2.3452 0.7696 0.7696 7.3147 7.3147 9.8266 9.8266 9.8991 9.8991 11.5328 11.5328 12.8355 12.8355 12.9763 12.9763 13.0759 13.0759 14.7277 14.7277 15.2700 15.2700 15.5234 15.5234 15.6221 15.6221 16.1375 16.1375 17.0202 17.0202 18.1912 18.1912 20.0647 20.0647 k = 0.0658 0.1140-0.0000 ( 1047 PWs) bands (ev): -2.3795 -2.3795 0.7731 0.7731 7.2734 7.2734 9.8283 9.8283 9.8953 9.8953 11.5579 11.5579 12.9195 12.9195 13.0397 13.0397 13.1742 13.1742 14.7050 14.7050 15.2337 15.2337 15.4675 15.4675 15.6175 15.6175 16.1401 16.1401 16.9211 16.9211 18.2014 18.2014 20.1186 20.1186 k = 0.0614 0.1064-0.0000 ( 1047 PWs) bands (ev): -2.4117 -2.4117 0.7764 0.7764 7.2346 7.2346 9.8300 9.8300 9.8911 9.8911 11.5794 11.5794 13.0029 13.0029 13.1058 13.1058 13.2736 13.2736 14.6837 14.6837 15.1969 15.1969 15.4108 15.4108 15.6097 15.6097 16.1426 16.1426 16.8246 16.8246 18.2109 18.2109 20.1719 20.1719 k = 0.0570 0.0988-0.0000 ( 1047 PWs) bands (ev): -2.4419 -2.4419 0.7795 0.7795 7.1982 7.1982 9.8317 9.8317 9.8866 9.8866 11.5975 11.5975 13.0852 13.0852 13.1738 13.1738 13.3738 13.3738 14.6638 14.6638 15.1597 15.1597 15.3536 15.3536 15.5979 15.5979 16.1447 16.1447 16.7316 16.7316 18.2197 18.2197 20.2241 20.2241 k = 0.0526 0.0912-0.0000 ( 1047 PWs) bands (ev): -2.4699 -2.4699 0.7824 0.7824 7.1644 7.1644 9.8333 9.8333 9.8820 9.8820 11.6127 11.6127 13.1662 13.1662 13.2427 13.2427 13.4748 13.4748 14.6454 14.6454 15.1221 15.1221 15.2960 15.2960 15.5812 15.5812 16.1465 16.1465 16.6430 16.6430 18.2278 18.2278 20.2750 20.2750 k = 0.0482 0.0836-0.0000 ( 1051 PWs) bands (ev): -2.4957 -2.4957 0.7851 0.7851 7.1331 7.1331 9.8347 9.8347 9.8773 9.8773 11.6254 11.6254 13.2454 13.2454 13.3118 13.3118 13.5764 13.5764 14.6284 14.6284 15.0843 15.0843 15.2384 15.2384 15.5586 15.5586 16.1480 16.1480 16.5601 16.5601 18.2353 18.2353 20.3241 20.3241 k = 0.0439 0.0760-0.0000 ( 1051 PWs) bands (ev): -2.5194 -2.5194 0.7876 0.7876 7.1045 7.1045 9.8362 9.8362 9.8727 9.8727 11.6360 11.6360 13.3229 13.3229 13.3803 13.3803 13.6784 13.6784 14.6130 14.6130 15.0464 15.0464 15.1812 15.1812 15.5291 15.5291 16.1492 16.1492 16.4842 16.4842 18.2421 18.2421 20.3709 20.3709 k = 0.0395 0.0684-0.0000 ( 1051 PWs) bands (ev): -2.5409 -2.5409 0.7899 0.7899 7.0785 7.0785 9.8375 9.8375 9.8683 9.8683 11.6447 11.6447 13.3979 13.3979 13.4473 13.4473 13.7806 13.7806 14.5991 14.5991 15.0087 15.0087 15.1247 15.1247 15.4918 15.4918 16.1499 16.1499 16.4164 16.4164 18.2483 18.2483 20.4151 20.4151 k = 0.0351 0.0608-0.0000 ( 1055 PWs) bands (ev): -2.5601 -2.5601 0.7919 0.7919 7.0551 7.0551 9.8386 9.8386 9.8643 9.8643 11.6518 11.6518 13.4697 13.4697 13.5119 13.5119 13.8825 13.8825 14.5868 14.5868 14.9715 14.9715 15.0694 15.0694 15.4461 15.4461 16.1500 16.1500 16.3576 16.3576 18.2538 18.2538 20.4560 20.4560 k = 0.0307 0.0532-0.0000 ( 1059 PWs) bands (ev): -2.5771 -2.5771 0.7938 0.7938 7.0344 7.0344 9.8397 9.8397 9.8606 9.8606 11.6576 11.6576 13.5381 13.5381 13.5731 13.5731 13.9839 13.9839 14.5759 14.5759 14.9351 14.9351 15.0161 15.0161 15.3919 15.3919 16.1495 16.1495 16.3086 16.3086 18.2585 18.2585 20.4932 20.4932 k = 0.0263 0.0456-0.0000 ( 1063 PWs) bands (ev): -2.5919 -2.5919 0.7954 0.7954 7.0165 7.0165 9.8404 9.8404 9.8575 9.8575 11.6623 11.6623 13.6020 13.6020 13.6302 13.6302 14.0842 14.0842 14.5671 14.5671 14.9002 14.9002 14.9657 14.9657 15.3300 15.3300 16.1479 16.1479 16.2693 16.2693 18.2627 18.2627 20.5259 20.5259 k = 0.0219 0.0380-0.0000 ( 1063 PWs) bands (ev): -2.6045 -2.6045 0.7967 0.7967 7.0013 7.0013 9.8409 9.8409 9.8549 9.8549 11.6660 11.6660 13.6603 13.6603 13.6819 13.6819 14.1822 14.1822 14.5603 14.5603 14.8672 14.8672 14.9194 14.9194 15.2617 15.2617 16.1452 16.1452 16.2397 16.2397 18.2663 18.2663 20.5536 20.5536 k = 0.0175 0.0304-0.0000 ( 1067 PWs) bands (ev): -2.6147 -2.6147 0.7978 0.7978 6.9888 6.9888 9.8411 9.8411 9.8530 9.8530 11.6688 11.6688 13.7116 13.7116 13.7269 13.7269 14.2761 14.2761 14.5562 14.5562 14.8368 14.8368 14.8787 14.8787 15.1892 15.1892 16.1412 16.1412 16.2186 16.2186 18.2692 18.2692 20.5758 20.5758 k = 0.0132 0.0228-0.0000 ( 1067 PWs) bands (ev): -2.6227 -2.6227 0.7987 0.7987 6.9791 6.9791 9.8409 9.8409 9.8517 9.8517 11.6709 11.6709 13.7543 13.7543 13.7640 13.7640 14.3623 14.3623 14.5560 14.5560 14.8099 14.8099 14.8455 14.8455 15.1158 15.1158 16.1365 16.1365 16.2052 16.2052 18.2714 18.2714 20.5923 20.5923 k = 0.0088 0.0152-0.0000 ( 1071 PWs) bands (ev): -2.6285 -2.6285 0.7993 0.7993 6.9722 6.9722 9.8406 9.8406 9.8510 9.8510 11.6724 11.6724 13.7865 13.7865 13.7919 13.7919 14.4324 14.4324 14.5633 14.5633 14.7878 14.7878 14.8213 14.8213 15.0473 15.0473 16.1319 16.1319 16.1973 16.1973 18.2730 18.2730 20.6033 20.6033 k = 0.0044 0.0076-0.0000 ( 1087 PWs) bands (ev): -2.6319 -2.6319 0.7997 0.7997 6.9680 6.9680 9.8402 9.8402 9.8505 9.8505 11.6732 11.6732 13.8061 13.8061 13.8093 13.8093 14.4733 14.4733 14.5804 14.5804 14.7726 14.7726 14.8067 14.8067 14.9940 14.9940 16.1284 16.1284 16.1931 16.1931 18.2739 18.2739 20.6092 20.6092 k = 0.0000 0.0000 0.0000 ( 1087 PWs) bands (ev): -2.6330 -2.6330 0.7998 0.7998 6.9666 6.9666 9.8402 9.8402 9.8504 9.8504 11.6735 11.6735 13.8127 13.8127 13.8155 13.8155 14.4849 14.4849 14.5922 14.5922 14.7670 14.7670 14.8018 14.8018 14.9727 14.9727 16.1273 16.1273 16.1919 16.1919 18.2742 18.2742 20.6113 20.6113 k = 0.0000 0.0000 0.0000 ( 1087 PWs) bands (ev): -2.6330 -2.6330 0.7998 0.7998 6.9666 6.9666 9.8402 9.8402 9.8504 9.8504 11.6735 11.6735 13.8127 13.8127 13.8155 13.8155 14.4849 14.4849 14.5922 14.5922 14.7670 14.7670 14.8018 14.8018 14.9727 14.9727 16.1273 16.1273 16.1919 16.1919 18.2742 18.2742 20.6113 20.6113 k = 0.0000 0.0000 0.0086 ( 1087 PWs) bands (ev): -2.6319 -2.6319 0.7969 0.7969 6.9704 6.9704 9.8413 9.8413 9.8515 9.8515 11.6734 11.6734 13.8134 13.8134 13.8163 13.8163 14.4559 14.4559 14.5455 14.5455 14.8110 14.8110 14.8284 14.8284 14.9716 14.9716 16.1289 16.1289 16.1936 16.1936 18.2706 18.2706 20.6099 20.6099 k = 0.0000 0.0000 0.0173 ( 1087 PWs) bands (ev): -2.6285 -2.6285 0.7884 0.7884 6.9819 6.9819 9.8446 9.8446 9.8548 9.8548 11.6734 11.6734 13.8156 13.8156 13.8187 13.8187 14.3872 14.3872 14.4568 14.4568 14.8900 14.8900 14.8906 14.8906 14.9693 14.9693 16.1339 16.1339 16.1988 16.1988 18.2597 18.2597 20.6056 20.6056 k = 0.0000 0.0000 0.0259 ( 1074 PWs) bands (ev): -2.6229 -2.6229 0.7741 0.7741 7.0010 7.0010 9.8503 9.8503 9.8605 9.8605 11.6733 11.6733 13.8193 13.8193 13.8228 13.8228 14.3011 14.3011 14.3581 14.3581 14.9489 14.9489 14.9639 14.9639 14.9903 14.9903 16.1432 16.1432 16.2084 16.2084 18.2418 18.2418 20.5988 20.5988 k = 0.0000 0.0000 0.0346 ( 1074 PWs) bands (ev): -2.6151 -2.6151 0.7544 0.7544 7.0276 7.0276 9.8579 9.8579 9.8682 9.8682 11.6729 11.6729 13.8241 13.8241 13.8283 13.8283 14.2073 14.2073 14.2557 14.2557 14.9459 14.9459 15.0398 15.0398 15.0677 15.0677 16.1567 16.1567 16.2220 16.2220 18.2167 18.2167 20.5889 20.5889 k = 0.0000 0.0000 0.0432 ( 1062 PWs) bands (ev): -2.6050 -2.6050 0.7293 0.7293 7.0614 7.0614 9.8679 9.8679 9.8781 9.8781 11.6722 11.6722 13.8300 13.8300 13.8357 13.8357 14.1106 14.1106 14.1519 14.1519 14.9348 14.9348 15.1132 15.1132 15.1459 15.1459 16.1758 16.1758 16.2410 16.2410 18.1850 18.1850 20.5764 20.5764 k = 0.0000 0.0000 0.0519 ( 1050 PWs) bands (ev): -2.5927 -2.5927 0.6991 0.6991 7.1024 7.1024 9.8800 9.8800 9.8902 9.8902 11.6711 11.6711 13.8353 13.8353 13.8444 13.8444 14.0132 14.0132 14.0468 14.0468 14.9210 14.9210 15.1811 15.1811 15.2173 15.2173 16.2022 16.2022 16.2668 16.2668 18.1465 18.1465 20.5611 20.5611 k = 0.0000 0.0000 0.0605 ( 1050 PWs) bands (ev): -2.5782 -2.5782 0.6640 0.6640 7.1501 7.1501 9.8943 9.8943 9.9045 9.9045 11.6691 11.6691 13.8324 13.8324 13.8546 13.8546 13.9241 13.9241 13.9412 13.9412 14.9052 14.9052 15.2417 15.2417 15.2800 15.2800 16.2361 16.2361 16.2993 16.2993 18.1017 18.1017 20.5428 20.5428 k = 0.0000 0.0000 0.0692 ( 1050 PWs) bands (ev): -2.5614 -2.5614 0.6242 0.6242 7.2043 7.2043 9.9107 9.9107 9.9210 9.9210 11.6662 11.6662 13.7808 13.7808 13.8354 13.8354 13.8664 13.8664 13.8846 13.8846 14.8878 14.8878 15.2936 15.2936 15.3325 15.3325 16.2791 16.2791 16.3400 16.3400 18.0508 18.0508 20.5217 20.5218 k = 0.0000 0.0000 0.0778 ( 1044 PWs) bands (ev): -2.5425 -2.5425 0.5801 0.5801 7.2648 7.2648 9.9294 9.9294 9.9397 9.9397 11.6620 11.6620 13.6875 13.6875 13.7298 13.7298 13.8799 13.8799 13.8882 13.8882 14.8694 14.8694 15.3360 15.3360 15.3743 15.3743 16.3318 16.3318 16.3893 16.3893 17.9942 17.9942 20.4980 20.4980 k = 0.0000 0.0000 0.0865 ( 1044 PWs) bands (ev): -2.5214 -2.5214 0.5320 0.5320 7.3312 7.3312 9.9502 9.9502 9.9606 9.9606 11.6562 11.6562 13.5871 13.5871 13.6243 13.6243 13.8947 13.8947 13.9001 13.9001 14.8504 14.8504 15.3685 15.3685 15.4050 15.4050 16.3939 16.3939 16.4473 16.4473 17.9322 17.9322 20.4713 20.4713 k = 0.0000 0.0000 0.0951 ( 1044 PWs) bands (ev): -2.4981 -2.4981 0.4800 0.4800 7.4031 7.4031 9.9732 9.9732 9.9836 9.9836 11.6485 11.6485 13.4852 13.4852 13.5191 13.5191 13.9110 13.9110 13.9150 13.9150 14.8314 14.8314 15.3914 15.3914 15.4254 15.4254 16.4649 16.4649 16.5135 16.5135 17.8652 17.8652 20.4420 20.4420 k = 0.0000 0.0000 0.1038 ( 1044 PWs) bands (ev): -2.4726 -2.4726 0.4247 0.4247 7.4799 7.4799 9.9984 9.9984 10.0088 10.0088 11.6385 11.6385 13.3831 13.3831 13.4147 13.4147 13.9289 13.9289 13.9322 13.9322 14.8129 14.8129 15.4055 15.4055 15.4366 15.4366 16.5437 16.5437 16.5871 16.5871 17.7931 17.7931 20.4099 20.4099 k = 0.0000 0.0000 0.1124 ( 1044 PWs) bands (ev): -2.4451 -2.4451 0.3662 0.3662 7.5619 7.5619 10.0256 10.0256 10.0361 10.0361 11.6257 11.6257 13.2810 13.2810 13.3107 13.3107 13.9481 13.9481 13.9509 13.9509 14.7955 14.7955 15.4117 15.4117 15.4396 15.4396 16.6288 16.6288 16.6672 16.6672 17.7171 17.7171 20.3751 20.3751 k = 0.0000 0.0000 0.1211 ( 1044 PWs) bands (ev): -2.4153 -2.4153 0.3049 0.3049 7.6484 7.6484 10.0551 10.0551 10.0655 10.0655 11.6099 11.6099 13.1794 13.1794 13.2073 13.2073 13.9687 13.9687 13.9712 13.9712 14.7798 14.7798 15.4108 15.4108 15.4357 15.4357 16.7192 16.7192 16.7527 16.7527 17.6373 17.6373 20.3376 20.3376 k = 0.0000 0.0000 0.1297 ( 1044 PWs) bands (ev): -2.3835 -2.3835 0.2411 0.2411 7.7391 7.7391 10.0866 10.0866 10.0971 10.0971 11.5905 11.5905 13.0783 13.0783 13.1048 13.1048 13.9907 13.9907 13.9930 13.9930 14.7664 14.7664 15.4039 15.4039 15.4261 15.4261 16.8136 16.8136 16.8426 16.8426 17.5538 17.5538 20.2974 20.2974 k = 0.0000 0.0000 0.1384 ( 1044 PWs) bands (ev): -2.3496 -2.3496 0.1750 0.1750 7.8337 7.8337 10.1202 10.1202 10.1308 10.1308 11.5672 11.5672 12.9778 12.9778 13.0030 13.0030 14.0141 14.0141 14.0163 14.0163 14.7559 14.7559 15.3919 15.3919 15.4115 15.4115 16.9112 16.9112 16.9359 16.9359 17.4672 17.4672 20.2545 20.2545 k = 0.0000 0.0000 0.1470 ( 1038 PWs) bands (ev): -2.3137 -2.3137 0.1070 0.1070 7.9319 7.9319 10.1560 10.1560 10.1667 10.1667 11.5402 11.5402 12.8782 12.8782 12.9023 12.9023 14.0388 14.0388 14.0409 14.0409 14.7487 14.7487 15.3755 15.3755 15.3930 15.3930 17.0113 17.0113 17.0320 17.0320 17.3778 17.3778 20.2091 20.2091 k = 0.0000 0.0000 0.1557 ( 1038 PWs) bands (ev): -2.2757 -2.2757 0.0372 0.0372 8.0332 8.0332 10.1939 10.1939 10.2046 10.2046 11.5079 11.5079 12.7795 12.7795 12.8025 12.8025 14.0648 14.0648 14.0668 14.0668 14.7455 14.7455 15.3553 15.3553 15.3709 15.3709 17.1129 17.1129 17.1301 17.1301 17.2858 17.2858 20.1610 20.1610 k = 0.0000 0.0000 0.1643 ( 1038 PWs) bands (ev): -2.2357 -2.2357 -0.0339 -0.0339 8.1375 8.1375 10.2338 10.2338 10.2446 10.2446 11.4707 11.4707 12.6816 12.6816 12.7037 12.7037 14.0921 14.0921 14.0941 14.0941 14.7466 14.7466 15.3318 15.3318 15.3458 15.3458 17.1917 17.1917 17.2158 17.2158 17.2297 17.2297 20.1104 20.1104 k = 0.0000 0.0000 0.1730 ( 1038 PWs) bands (ev): -2.1938 -2.1938 -0.1063 -0.1063 8.2444 8.2444 10.2758 10.2758 10.2866 10.2866 11.4282 11.4282 12.5848 12.5848 12.6060 12.6060 14.1206 14.1206 14.1225 14.1225 14.7524 14.7524 15.3056 15.3056 15.3182 15.3182 17.0958 17.0958 17.3196 17.3196 17.3304 17.3304 20.0572 20.0572 k = 0.0000 0.0000 0.1816 ( 1038 PWs) bands (ev): -2.1498 -2.1498 -0.1797 -0.1797 8.3536 8.3536 10.3198 10.3198 10.3308 10.3308 11.3805 11.3805 12.4891 12.4891 12.5095 12.5095 14.1503 14.1503 14.1522 14.1522 14.7633 14.7633 15.2769 15.2769 15.2884 15.2884 16.9984 16.9984 17.4238 17.4238 17.4317 17.4317 20.0015 20.0015 k = 0.0000 0.0000 0.1902 ( 1038 PWs) bands (ev): -2.1040 -2.1040 -0.2539 -0.2539 8.4649 8.4649 10.3659 10.3659 10.3769 10.3769 11.3272 11.3272 12.3945 12.3945 12.4141 12.4141 14.1812 14.1812 14.1830 14.1830 14.7794 14.7794 15.2461 15.2461 15.2568 15.2568 16.8998 16.8998 17.5281 17.5281 17.5335 17.5335 19.9433 19.9433 k = 0.0000 0.0000 0.1989 ( 1038 PWs) bands (ev): -2.0563 -2.0563 -0.3286 -0.3286 8.5780 8.5780 10.4140 10.4140 10.4251 10.4251 11.2686 11.2686 12.3011 12.3011 12.3200 12.3200 14.2131 14.2131 14.2150 14.2150 14.8008 14.8008 15.2134 15.2134 15.2237 15.2237 16.8003 16.8003 17.6325 17.6325 17.6353 17.6353 19.8827 19.8827 k = 0.0000 0.0000 0.2075 ( 1038 PWs) bands (ev): -2.0067 -2.0067 -0.4038 -0.4038 8.6926 8.6926 10.4641 10.4641 10.4753 10.4753 11.2045 11.2045 12.2090 12.2090 12.2272 12.2272 14.2461 14.2461 14.2480 14.2480 14.8276 14.8276 15.1792 15.1792 15.1893 15.1893 16.7002 16.7002 17.7365 17.7365 17.7371 17.7371 19.8198 19.8198 k = 0.0000 0.0000 0.2162 ( 1038 PWs) bands (ev): -1.9553 -1.9553 -0.4791 -0.4791 8.8084 8.8084 10.5162 10.5162 10.5275 10.5275 11.1351 11.1351 12.1181 12.1181 12.1358 12.1358 14.2801 14.2801 14.2820 14.2820 14.8595 14.8595 15.1436 15.1436 15.1541 15.1541 16.5999 16.5999 17.8386 17.8386 17.8402 17.8402 19.7544 19.7544 k = 0.0000 0.0000 0.2248 ( 1032 PWs) bands (ev): -1.9022 -1.9022 -0.5546 -0.5546 8.9252 8.9252 10.5703 10.5703 10.5818 10.5818 11.0606 11.0606 12.0285 12.0285 12.0457 12.0457 14.3151 14.3151 14.3170 14.3170 14.8959 14.8959 15.1070 15.1070 15.1190 15.1190 16.4995 16.4995 17.9398 17.9398 17.9435 17.9435 19.6868 19.6868 k = 0.0000 0.0000 0.2335 ( 1032 PWs) bands (ev): -1.8473 -1.8473 -0.6299 -0.6299 9.0427 9.0427 10.6263 10.6263 10.6379 10.6379 10.9811 10.9811 11.9404 11.9404 11.9570 11.9570 14.3509 14.3509 14.3528 14.3528 14.9351 14.9351 15.0691 15.0691 15.0854 15.0854 16.3994 16.3994 18.0401 18.0401 18.0458 18.0458 19.6169 19.6169 k = 0.0000 0.0000 0.2421 ( 1032 PWs) bands (ev): -1.7908 -1.7908 -0.7051 -0.7051 9.1608 9.1608 10.6842 10.6842 10.6959 10.6959 10.8970 10.8970 11.8536 11.8536 11.8697 11.8697 14.3876 14.3876 14.3895 14.3895 14.9690 14.9690 15.0304 15.0304 15.0616 15.0616 16.2999 16.2999 18.1396 18.1396 18.1472 18.1472 19.5448 19.5448 k = 0.0000 0.0000 0.2508 ( 1032 PWs) bands (ev): -1.7326 -1.7326 -0.7798 -0.7798 9.2790 9.2790 10.7441 10.7441 10.7559 10.7559 10.8084 10.8084 11.7683 11.7683 11.7840 11.7840 14.4250 14.4250 14.4270 14.4270 14.9704 14.9704 14.9910 14.9910 15.0747 15.0747 16.2011 16.2011 18.2383 18.2383 18.2477 18.2477 19.4705 19.4705 k = 0.0000 0.0000 0.2594 ( 1044 PWs) bands (ev): -1.6728 -1.6728 -0.8541 -0.8541 9.3972 9.3972 10.7156 10.7156 10.8058 10.8058 10.8178 10.8178 11.6842 11.6842 11.6995 11.6995 14.4632 14.4632 14.4651 14.4651 14.9412 14.9412 14.9506 14.9506 15.1217 15.1217 16.1035 16.1035 18.3359 18.3359 18.3470 18.3470 19.3940 19.3940 k = 0.0000 0.0000 0.2681 ( 1044 PWs) bands (ev): -1.6115 -1.6115 -0.9278 -0.9278 9.5152 9.5152 10.6192 10.6192 10.8693 10.8693 10.8815 10.8815 11.6019 11.6019 11.6168 11.6168 14.5020 14.5020 14.5039 14.5039 14.9044 14.9044 14.9101 14.9101 15.1814 15.1814 16.0072 16.0072 18.4324 18.4324 18.4452 18.4452 19.3155 19.3155 k = 0.0000 0.0000 0.2767 ( 1038 PWs) bands (ev): -1.5487 -1.5487 -1.0008 -1.0008 9.6326 9.6326 10.5194 10.5194 10.9347 10.9347 10.9471 10.9471 11.5212 11.5212 11.5357 11.5357 14.5413 14.5413 14.5433 14.5433 14.8654 14.8654 14.8695 14.8695 15.2484 15.2484 15.9126 15.9126 18.5277 18.5277 18.5421 18.5421 19.2351 19.2351 k = 0.0000 0.0000 0.2854 ( 1038 PWs) bands (ev): -1.4844 -1.4844 -1.0730 -1.0730 9.7492 9.7492 10.4164 10.4164 11.0020 11.0020 11.0146 11.0146 11.4420 11.4420 11.4562 11.4562 14.5812 14.5812 14.5832 14.5832 14.8252 14.8252 14.8284 14.8284 15.3194 15.3194 15.8198 15.8198 18.6216 18.6216 18.6376 18.6376 19.1527 19.1527 k = 0.0000 0.0000 0.2940 ( 1038 PWs) bands (ev): -1.4189 -1.4189 -1.1443 -1.1443 9.8647 9.8647 10.3105 10.3105 11.0710 11.0710 11.0838 11.0838 11.3644 11.3644 11.3783 11.3783 14.6214 14.6214 14.6235 14.6235 14.7846 14.7846 14.7873 14.7873 15.3946 15.3946 15.7293 15.7293 18.7141 18.7141 18.7317 18.7317 19.0685 19.0685 k = 0.0000 0.0000 0.3027 ( 1038 PWs) bands (ev): -1.3520 -1.3520 -1.2147 -1.2147 9.9789 9.9789 10.2021 10.2021 11.1418 11.1418 11.1548 11.1548 11.2885 11.2885 11.3021 11.3021 14.6620 14.6620 14.6642 14.6642 14.7437 14.7437 14.7461 14.7461 15.4735 15.4735 15.6412 15.6412 18.8052 18.8052 18.8242 18.8242 18.9824 18.9824 k = 0.0000 0.0000 0.3113 ( 1038 PWs) bands (ev): -1.2839 -1.2839 -1.2839 -1.2839 10.0914 10.0914 10.0914 10.0914 11.2143 11.2143 11.2143 11.2143 11.2276 11.2276 11.2276 11.2276 14.7028 14.7028 14.7028 14.7028 14.7051 14.7051 14.7051 14.7051 15.5558 15.5558 15.5558 15.5558 18.8946 18.8946 18.8946 18.8946 18.9151 18.9151 k = 0.0000 0.0000 0.3113 ( 1038 PWs) bands (ev): -1.2839 -1.2839 -1.2839 -1.2839 10.0914 10.0914 10.0914 10.0914 11.2143 11.2143 11.2143 11.2143 11.2276 11.2276 11.2276 11.2276 14.7028 14.7028 14.7028 14.7028 14.7051 14.7051 14.7051 14.7051 15.5558 15.5558 15.5558 15.5558 18.8946 18.8946 18.8946 18.8946 18.9151 18.9151 k = 0.0076 0.0044 0.3113 ( 1038 PWs) bands (ev): -1.2831 -1.2831 -1.2831 -1.2831 10.0898 10.0898 10.0898 10.0898 11.2142 11.2142 11.2142 11.2142 11.2276 11.2276 11.2276 11.2276 14.7017 14.7017 14.7017 14.7017 14.7058 14.7058 14.7058 14.7058 15.5574 15.5574 15.5574 15.5574 18.8937 18.8937 18.8937 18.8937 18.9145 18.9145 k = 0.0152 0.0087 0.3113 ( 1038 PWs) bands (ev): -1.2806 -1.2806 -1.2806 -1.2806 10.0850 10.0850 10.0850 10.0850 11.2141 11.2141 11.2141 11.2141 11.2274 11.2274 11.2274 11.2274 14.6993 14.6993 14.6993 14.6993 14.7070 14.7070 14.7070 14.7070 15.5619 15.5619 15.5619 15.5619 18.8907 18.8907 18.8907 18.8907 18.9129 18.9129 k = 0.0227 0.0131 0.3113 ( 1038 PWs) bands (ev): -1.2766 -1.2766 -1.2766 -1.2766 10.0770 10.0770 10.0770 10.0770 11.2138 11.2138 11.2138 11.2138 11.2272 11.2272 11.2272 11.2272 14.6960 14.6960 14.6960 14.6960 14.7084 14.7084 14.7084 14.7084 15.5695 15.5695 15.5695 15.5695 18.8847 18.8847 18.8847 18.8847 18.9113 18.9113 k = 0.0303 0.0175 0.3113 ( 1038 PWs) bands (ev): -1.2709 -1.2709 -1.2709 -1.2709 10.0658 10.0658 10.0658 10.0658 11.2135 11.2135 11.2135 11.2135 11.2268 11.2268 11.2268 11.2268 14.6916 14.6916 14.6916 14.6916 14.7100 14.7100 14.7100 14.7100 15.5801 15.5801 15.5801 15.5801 18.8750 18.8750 18.8750 18.8750 18.9104 18.9104 k = 0.0379 0.0219 0.3113 ( 1038 PWs) bands (ev): -1.2635 -1.2635 -1.2635 -1.2635 10.0515 10.0515 10.0515 10.0515 11.2131 11.2131 11.2131 11.2131 11.2265 11.2265 11.2265 11.2265 14.6862 14.6862 14.6862 14.6862 14.7119 14.7119 14.7119 14.7119 15.5936 15.5936 15.5936 15.5936 18.8619 18.8619 18.8619 18.8619 18.9102 18.9102 k = 0.0455 0.0262 0.3113 ( 1038 PWs) bands (ev): -1.2546 -1.2546 -1.2546 -1.2546 10.0340 10.0340 10.0340 10.0340 11.2125 11.2125 11.2125 11.2125 11.2262 11.2262 11.2262 11.2262 14.6795 14.6795 14.6795 14.6795 14.7142 14.7142 14.7142 14.7142 15.6101 15.6101 15.6101 15.6101 18.8456 18.8456 18.8456 18.8456 18.9105 18.9105 k = 0.0530 0.0306 0.3113 ( 1038 PWs) bands (ev): -1.2441 -1.2441 -1.2441 -1.2441 10.0135 10.0135 10.0135 10.0135 11.2118 11.2118 11.2118 11.2118 11.2259 11.2259 11.2259 11.2259 14.6714 14.6714 14.6714 14.6714 14.7169 14.7169 14.7169 14.7169 15.6293 15.6293 15.6293 15.6293 18.8265 18.8265 18.8265 18.8265 18.9111 18.9111 k = 0.0606 0.0350 0.3113 ( 1038 PWs) bands (ev): -1.2320 -1.2320 -1.2320 -1.2320 9.9900 9.9900 9.9900 9.9900 11.2110 11.2110 11.2110 11.2110 11.2258 11.2258 11.2258 11.2258 14.6621 14.6621 14.6621 14.6621 14.7200 14.7200 14.7200 14.7200 15.6513 15.6513 15.6513 15.6513 18.8049 18.8049 18.8049 18.8049 18.9119 18.9119 k = 0.0682 0.0394 0.3113 ( 1038 PWs) bands (ev): -1.2183 -1.2183 -1.2183 -1.2183 9.9636 9.9636 9.9636 9.9636 11.2099 11.2099 11.2099 11.2099 11.2259 11.2259 11.2259 11.2259 14.6513 14.6513 14.6513 14.6513 14.7237 14.7237 14.7237 14.7237 15.6758 15.6758 15.6758 15.6758 18.7811 18.7811 18.7811 18.7811 18.9128 18.9128 k = 0.0758 0.0437 0.3113 ( 1034 PWs) bands (ev): -1.2031 -1.2031 -1.2031 -1.2031 9.9344 9.9344 9.9344 9.9344 11.2086 11.2086 11.2086 11.2086 11.2264 11.2264 11.2264 11.2264 14.6392 14.6392 14.6392 14.6392 14.7279 14.7279 14.7279 14.7279 15.7029 15.7029 15.7029 15.7029 18.7556 18.7556 18.7556 18.7556 18.9137 18.9137 k = 0.0833 0.0481 0.3113 ( 1034 PWs) bands (ev): -1.1864 -1.1864 -1.1864 -1.1864 9.9025 9.9025 9.9025 9.9025 11.2069 11.2069 11.2069 11.2069 11.2272 11.2272 11.2272 11.2272 14.6255 14.6255 14.6255 14.6255 14.7328 14.7328 14.7328 14.7328 15.7321 15.7321 15.7321 15.7321 18.7284 18.7284 18.7284 18.7284 18.9147 18.9147 k = 0.0909 0.0525 0.3113 ( 1030 PWs) bands (ev): -1.1682 -1.1682 -1.1682 -1.1682 9.8680 9.8680 9.8680 9.8680 11.2049 11.2049 11.2049 11.2049 11.2285 11.2285 11.2285 11.2285 14.6105 14.6105 14.6105 14.6105 14.7383 14.7383 14.7383 14.7383 15.7634 15.7634 15.7634 15.7634 18.7001 18.7001 18.7001 18.7001 18.9156 18.9156 k = 0.0985 0.0569 0.3113 ( 1038 PWs) bands (ev): -1.1485 -1.1485 -1.1485 -1.1485 9.8308 9.8308 9.8308 9.8308 11.2025 11.2025 11.2025 11.2025 11.2301 11.2301 11.2301 11.2301 14.5937 14.5937 14.5937 14.5937 14.7445 14.7445 14.7445 14.7445 15.7964 15.7964 15.7964 15.7964 18.6707 18.6707 18.6707 18.6707 18.9163 18.9163 k = 0.1061 0.0612 0.3113 ( 1038 PWs) bands (ev): -1.1273 -1.1273 -1.1273 -1.1273 9.7914 9.7914 9.7914 9.7914 11.1997 11.1997 11.1997 11.1997 11.2322 11.2322 11.2322 11.2322 14.5758 14.5758 14.5758 14.5758 14.7515 14.7515 14.7515 14.7515 15.8308 15.8308 15.8308 15.8308 18.6410 18.6410 18.6410 18.6410 18.9169 18.9169 k = 0.1136 0.0656 0.3113 ( 1038 PWs) bands (ev): -1.1048 -1.1048 -1.1048 -1.1048 9.7499 9.7499 9.7499 9.7499 11.1966 11.1966 11.1966 11.1966 11.2346 11.2346 11.2346 11.2346 14.5566 14.5566 14.5566 14.5566 14.7592 14.7592 14.7592 14.7592 15.8666 15.8666 15.8666 15.8666 18.6110 18.6110 18.6110 18.6110 18.9173 18.9173 k = 0.1212 0.0700 0.3113 ( 1038 PWs) bands (ev): -1.0808 -1.0808 -1.0808 -1.0808 9.7062 9.7062 9.7062 9.7062 11.1931 11.1931 11.1931 11.1931 11.2374 11.2374 11.2374 11.2374 14.5360 14.5360 14.5360 14.5360 14.7679 14.7679 14.7679 14.7679 15.9035 15.9035 15.9035 15.9035 18.5813 18.5813 18.5813 18.5813 18.9174 18.9174 k = 0.1288 0.0744 0.3113 ( 1038 PWs) bands (ev): -1.0556 -1.0556 -1.0556 -1.0556 9.6607 9.6607 9.6607 9.6607 11.1892 11.1892 11.1892 11.1892 11.2406 11.2406 11.2406 11.2406 14.5142 14.5142 14.5142 14.5142 14.7774 14.7774 14.7774 14.7774 15.9410 15.9410 15.9410 15.9410 18.5521 18.5521 18.5521 18.5521 18.9172 18.9172 k = 0.1364 0.0787 0.3113 ( 1038 PWs) bands (ev): -1.0290 -1.0290 -1.0290 -1.0290 9.6134 9.6134 9.6134 9.6134 11.1849 11.1849 11.1849 11.1849 11.2439 11.2439 11.2439 11.2439 14.4914 14.4914 14.4914 14.4914 14.7879 14.7879 14.7879 14.7879 15.9789 15.9789 15.9789 15.9789 18.5238 18.5238 18.5238 18.5238 18.9166 18.9166 k = 0.1439 0.0831 0.3113 ( 1042 PWs) bands (ev): -1.0011 -1.0011 -1.0011 -1.0011 9.5646 9.5646 9.5646 9.5646 11.1803 11.1803 11.1803 11.1803 11.2475 11.2475 11.2475 11.2475 14.4674 14.4674 14.4674 14.4674 14.7992 14.7992 14.7992 14.7992 16.0167 16.0167 16.0167 16.0167 18.4968 18.4968 18.4968 18.4969 18.9156 18.9156 k = 0.1515 0.0875 0.3113 ( 1042 PWs) bands (ev): -0.9721 -0.9721 -0.9721 -0.9721 9.5143 9.5143 9.5143 9.5143 11.1753 11.1753 11.1753 11.1753 11.2511 11.2511 11.2511 11.2511 14.4426 14.4426 14.4426 14.4426 14.8118 14.8118 14.8118 14.8118 16.0544 16.0544 16.0544 16.0544 18.4714 18.4714 18.4714 18.4714 18.9142 18.9142 k = 0.1591 0.0919 0.3113 ( 1042 PWs) bands (ev): -0.9418 -0.9418 -0.9418 -0.9418 9.4628 9.4628 9.4628 9.4628 11.1698 11.1698 11.1698 11.1698 11.2549 11.2549 11.2549 11.2549 14.4170 14.4170 14.4170 14.4170 14.8253 14.8253 14.8253 14.8253 16.0914 16.0914 16.0914 16.0914 18.4481 18.4481 18.4481 18.4481 18.9122 18.9122 k = 0.1667 0.0962 0.3113 ( 1038 PWs) bands (ev): -0.9104 -0.9104 -0.9104 -0.9104 9.4101 9.4101 9.4101 9.4101 11.1641 11.1641 11.1641 11.1641 11.2587 11.2587 11.2587 11.2587 14.3907 14.3907 14.3907 14.3907 14.8400 14.8400 14.8400 14.8400 16.1275 16.1275 16.1275 16.1275 18.4272 18.4272 18.4272 18.4272 18.9097 18.9097 k = 0.1742 0.1006 0.3113 ( 1042 PWs) bands (ev): -0.8780 -0.8780 -0.8780 -0.8780 9.3565 9.3565 9.3565 9.3565 11.1578 11.1578 11.1578 11.1578 11.2623 11.2623 11.2623 11.2623 14.3639 14.3639 14.3639 14.3639 14.8557 14.8557 14.8557 14.8557 16.1623 16.1623 16.1623 16.1623 18.4089 18.4089 18.4089 18.4089 18.9064 18.9064 k = 0.1818 0.1050 0.3113 ( 1042 PWs) bands (ev): -0.8445 -0.8445 -0.8445 -0.8445 9.3021 9.3021 9.3021 9.3021 11.1512 11.1512 11.1512 11.1512 11.2657 11.2657 11.2657 11.2657 14.3367 14.3367 14.3367 14.3367 14.8726 14.8726 14.8726 14.8726 16.1954 16.1954 16.1954 16.1954 18.3937 18.3937 18.3937 18.3937 18.9026 18.9026 k = 0.1894 0.1093 0.3113 ( 1042 PWs) bands (ev): -0.8100 -0.8100 -0.8100 -0.8100 9.2469 9.2469 9.2469 9.2469 11.1443 11.1443 11.1443 11.1443 11.2688 11.2688 11.2688 11.2688 14.3092 14.3092 14.3092 14.3092 14.8906 14.8906 14.8906 14.8906 16.2267 16.2267 16.2267 16.2267 18.3817 18.3817 18.3817 18.3817 18.8981 18.8981 k = 0.1970 0.1137 0.3113 ( 1042 PWs) bands (ev): -0.7746 -0.7746 -0.7746 -0.7746 9.1913 9.1913 9.1913 9.1913 11.1369 11.1369 11.1369 11.1369 11.2716 11.2716 11.2716 11.2716 14.2817 14.2817 14.2817 14.2817 14.9098 14.9098 14.9098 14.9098 16.2558 16.2558 16.2558 16.2558 18.3734 18.3734 18.3734 18.3734 18.8928 18.8928 k = 0.2045 0.1181 0.3113 ( 1044 PWs) bands (ev): -0.7384 -0.7384 -0.7384 -0.7384 9.1352 9.1352 9.1352 9.1352 11.1292 11.1292 11.1292 11.1292 11.2739 11.2739 11.2739 11.2739 14.2541 14.2541 14.2541 14.2541 14.9302 14.9302 14.9302 14.9302 16.2824 16.2824 16.2824 16.2824 18.3688 18.3688 18.3688 18.3688 18.8868 18.8868 k = 0.2121 0.1225 0.3113 ( 1044 PWs) bands (ev): -0.7014 -0.7014 -0.7014 -0.7014 9.0789 9.0789 9.0789 9.0789 11.1212 11.1212 11.1212 11.1212 11.2757 11.2757 11.2757 11.2757 14.2268 14.2268 14.2268 14.2268 14.9517 14.9517 14.9517 14.9517 16.3064 16.3064 16.3064 16.3064 18.3681 18.3681 18.3681 18.3681 18.8801 18.8801 k = 0.2197 0.1268 0.3113 ( 1044 PWs) bands (ev): -0.6637 -0.6637 -0.6637 -0.6637 9.0224 9.0224 9.0224 9.0224 11.1128 11.1128 11.1128 11.1128 11.2768 11.2768 11.2768 11.2768 14.1999 14.1999 14.1999 14.1999 14.9744 14.9744 14.9744 14.9744 16.3277 16.3277 16.3277 16.3277 18.3715 18.3715 18.3715 18.3715 18.8725 18.8725 k = 0.2273 0.1312 0.3113 ( 1038 PWs) bands (ev): -0.6253 -0.6253 -0.6253 -0.6253 8.9659 8.9659 8.9659 8.9659 11.1042 11.1042 11.1042 11.1042 11.2774 11.2774 11.2774 11.2774 14.1736 14.1736 14.1736 14.1736 14.9982 14.9982 14.9982 14.9982 16.3462 16.3462 16.3462 16.3462 18.3790 18.3790 18.3790 18.3790 18.8641 18.8641 k = 0.2348 0.1356 0.3113 ( 1042 PWs) bands (ev): -0.5863 -0.5863 -0.5863 -0.5863 8.9094 8.9094 8.9094 8.9094 11.0952 11.0952 11.0952 11.0952 11.2770 11.2770 11.2770 11.2770 14.1478 14.1478 14.1478 14.1478 15.0231 15.0231 15.0231 15.0231 16.3617 16.3617 16.3617 16.3617 18.3903 18.3903 18.3903 18.3903 18.8548 18.8548 k = 0.2424 0.1400 0.3113 ( 1042 PWs) bands (ev): -0.5469 -0.5469 -0.5469 -0.5469 8.8531 8.8531 8.8531 8.8531 11.0860 11.0860 11.0860 11.0860 11.2757 11.2757 11.2757 11.2757 14.1229 14.1229 14.1229 14.1229 15.0491 15.0491 15.0491 15.0491 16.3743 16.3743 16.3743 16.3743 18.4058 18.4058 18.4058 18.4058 18.8447 18.8447 k = 0.2500 0.1443 0.3113 ( 1042 PWs) bands (ev): -0.5070 -0.5070 -0.5070 -0.5070 8.7970 8.7970 8.7970 8.7970 11.0765 11.0765 11.0765 11.0765 11.2735 11.2735 11.2735 11.2735 14.0990 14.0990 14.0990 14.0990 15.0762 15.0762 15.0762 15.0762 16.3840 16.3840 16.3840 16.3840 18.4250 18.4250 18.4250 18.4250 18.8338 18.8338 k = 0.2576 0.1487 0.3113 ( 1042 PWs) bands (ev): -0.4668 -0.4668 -0.4668 -0.4668 8.7414 8.7414 8.7414 8.7414 11.0668 11.0668 11.0668 11.0668 11.2703 11.2703 11.2703 11.2703 14.0762 14.0762 14.0762 14.0762 15.1043 15.1043 15.1043 15.1043 16.3911 16.3911 16.3911 16.3911 18.4478 18.4478 18.4478 18.4478 18.8221 18.8221 k = 0.2652 0.1531 0.3113 ( 1038 PWs) bands (ev): -0.4263 -0.4263 -0.4263 -0.4263 8.6863 8.6863 8.6863 8.6863 11.0570 11.0570 11.0570 11.0570 11.2661 11.2661 11.2661 11.2661 14.0546 14.0546 14.0546 14.0546 15.1334 15.1334 15.1334 15.1334 16.3956 16.3956 16.3956 16.3956 18.4741 18.4741 18.4741 18.4741 18.8095 18.8095 k = 0.2727 0.1575 0.3113 ( 1038 PWs) bands (ev): -0.3856 -0.3856 -0.3856 -0.3856 8.6318 8.6318 8.6318 8.6318 11.0470 11.0470 11.0470 11.0470 11.2607 11.2607 11.2607 11.2607 14.0344 14.0344 14.0344 14.0344 15.1633 15.1633 15.1633 15.1633 16.3977 16.3977 16.3977 16.3977 18.5033 18.5033 18.5033 18.5033 18.7962 18.7962 k = 0.2803 0.1618 0.3113 ( 1034 PWs) bands (ev): -0.3449 -0.3449 -0.3449 -0.3449 8.5779 8.5779 8.5779 8.5779 11.0369 11.0369 11.0369 11.0369 11.2543 11.2543 11.2543 11.2543 14.0156 14.0156 14.0156 14.0156 15.1943 15.1943 15.1943 15.1943 16.3977 16.3977 16.3977 16.3977 18.5351 18.5351 18.5351 18.5351 18.7822 18.7822 k = 0.2879 0.1662 0.3113 ( 1032 PWs) bands (ev): -0.3041 -0.3041 -0.3041 -0.3041 8.5248 8.5248 8.5248 8.5248 11.0267 11.0267 11.0267 11.0267 11.2467 11.2467 11.2467 11.2467 13.9982 13.9982 13.9982 13.9982 15.2258 15.2258 15.2258 15.2258 16.3960 16.3960 16.3960 16.3960 18.5691 18.5691 18.5691 18.5691 18.7678 18.7678 k = 0.2955 0.1706 0.3113 ( 1036 PWs) bands (ev): -0.2635 -0.2635 -0.2635 -0.2635 8.4725 8.4725 8.4725 8.4725 11.0165 11.0165 11.0165 11.0165 11.2381 11.2381 11.2381 11.2381 13.9825 13.9825 13.9825 13.9825 15.2579 15.2579 15.2579 15.2579 16.3922 16.3922 16.3922 16.3922 18.6047 18.6047 18.6047 18.6047 18.7529 18.7529 k = 0.3030 0.1750 0.3113 ( 1036 PWs) bands (ev): -0.2230 -0.2230 -0.2230 -0.2230 8.4212 8.4212 8.4212 8.4212 11.0062 11.0062 11.0062 11.0062 11.2284 11.2284 11.2284 11.2284 13.9683 13.9683 13.9683 13.9683 15.2908 15.2908 15.2908 15.2908 16.3869 16.3869 16.3869 16.3869 18.6405 18.6405 18.6405 18.6405 18.7390 18.7390 k = 0.3106 0.1793 0.3113 ( 1036 PWs) bands (ev): -0.1829 -0.1829 -0.1829 -0.1829 8.3709 8.3709 8.3709 8.3709 10.9960 10.9960 10.9960 10.9960 11.2176 11.2176 11.2176 11.2176 13.9558 13.9558 13.9558 13.9558 15.3242 15.3242 15.3242 15.3242 16.3804 16.3804 16.3804 16.3804 18.6717 18.6717 18.6717 18.6717 18.7304 18.7304 k = 0.3182 0.1837 0.3113 ( 1040 PWs) bands (ev): -0.1431 -0.1431 -0.1431 -0.1431 8.3216 8.3216 8.3216 8.3216 10.9858 10.9858 10.9858 10.9858 11.2059 11.2059 11.2059 11.2059 13.9449 13.9449 13.9449 13.9449 15.3579 15.3579 15.3579 15.3579 16.3728 16.3728 16.3728 16.3728 18.6811 18.6811 18.6811 18.6811 18.7441 18.7441 k = 0.3258 0.1881 0.3113 ( 1042 PWs) bands (ev): -0.1038 -0.1038 -0.1038 -0.1038 8.2736 8.2736 8.2736 8.2736 10.9757 10.9757 10.9757 10.9757 11.1934 11.1934 11.1934 11.1934 13.9356 13.9356 13.9356 13.9356 15.3921 15.3921 15.3921 15.3921 16.3641 16.3641 16.3641 16.3641 18.6699 18.6699 18.6699 18.6699 18.7786 18.7786 k = 0.3333 0.1925 0.3113 ( 1038 PWs) bands (ev): -0.0652 -0.0652 -0.0652 -0.0652 8.2269 8.2269 8.2269 8.2269 10.9659 10.9659 10.9659 10.9659 11.1800 11.1800 11.1800 11.1800 13.9280 13.9280 13.9280 13.9280 15.4265 15.4265 15.4265 15.4265 16.3549 16.3549 16.3549 16.3549 18.6532 18.6532 18.6532 18.6532 18.8187 18.8187 k = 0.3409 0.1968 0.3113 ( 1042 PWs) bands (ev): -0.0272 -0.0272 -0.0272 -0.0272 8.1815 8.1815 8.1815 8.1815 10.9560 10.9560 10.9560 10.9560 11.1659 11.1659 11.1659 11.1659 13.9218 13.9218 13.9218 13.9218 15.4610 15.4610 15.4610 15.4610 16.3451 16.3451 16.3451 16.3451 18.6346 18.6346 18.6346 18.6346 18.8604 18.8604 k = 0.3485 0.2012 0.3113 ( 1038 PWs) bands (ev): 0.0099 0.0099 0.0099 0.0099 8.1376 8.1376 8.1376 8.1376 10.9464 10.9464 10.9464 10.9464 11.1513 11.1513 11.1513 11.1513 13.9171 13.9171 13.9171 13.9171 15.4954 15.4954 15.4954 15.4954 16.3351 16.3351 16.3351 16.3351 18.6152 18.6152 18.6152 18.6152 18.9026 18.9026 k = 0.3561 0.2056 0.3113 ( 1040 PWs) bands (ev): 0.0462 0.0462 0.0462 0.0462 8.0952 8.0952 8.0952 8.0952 10.9371 10.9371 10.9371 10.9371 11.1361 11.1361 11.1361 11.1361 13.9137 13.9137 13.9137 13.9137 15.5297 15.5297 15.5297 15.5297 16.3246 16.3246 16.3246 16.3246 18.5953 18.5953 18.5953 18.5953 18.9446 18.9446 k = 0.3636 0.2099 0.3113 ( 1036 PWs) bands (ev): 0.0814 0.0814 0.0814 0.0814 8.0544 8.0544 8.0544 8.0544 10.9281 10.9281 10.9281 10.9281 11.1206 11.1206 11.1206 11.1206 13.9116 13.9116 13.9116 13.9116 15.5636 15.5636 15.5636 15.5636 16.3141 16.3141 16.3141 16.3141 18.5751 18.5751 18.5751 18.5751 18.9863 18.9863 k = 0.3712 0.2143 0.3113 ( 1040 PWs) bands (ev): 0.1154 0.1154 0.1154 0.1154 8.0152 8.0152 8.0152 8.0152 10.9193 10.9193 10.9193 10.9193 11.1050 11.1050 11.1050 11.1050 13.9106 13.9106 13.9106 13.9106 15.5971 15.5971 15.5971 15.5971 16.3035 16.3035 16.3035 16.3035 18.5547 18.5547 18.5547 18.5547 19.0271 19.0271 k = 0.3788 0.2187 0.3113 ( 1040 PWs) bands (ev): 0.1483 0.1483 0.1483 0.1483 7.9778 7.9778 7.9778 7.9778 10.9108 10.9108 10.9108 10.9108 11.0893 11.0893 11.0893 11.0893 13.9106 13.9106 13.9106 13.9106 15.6299 15.6299 15.6299 15.6299 16.2931 16.2931 16.2931 16.2931 18.5343 18.5343 18.5343 18.5343 19.0670 19.0670 k = 0.3864 0.2231 0.3113 ( 1038 PWs) bands (ev): 0.1797 0.1797 0.1797 0.1797 7.9422 7.9422 7.9422 7.9422 10.9027 10.9027 10.9027 10.9027 11.0737 11.0737 11.0737 11.0737 13.9116 13.9116 13.9116 13.9116 15.6620 15.6620 15.6620 15.6620 16.2829 16.2829 16.2829 16.2829 18.5141 18.5141 18.5141 18.5141 19.1058 19.1058 k = 0.3939 0.2274 0.3113 ( 1038 PWs) bands (ev): 0.2098 0.2098 0.2098 0.2098 7.9085 7.9085 7.9085 7.9085 10.8950 10.8950 10.8950 10.8950 11.0584 11.0584 11.0584 11.0584 13.9134 13.9134 13.9134 13.9134 15.6932 15.6932 15.6932 15.6932 16.2730 16.2730 16.2730 16.2730 18.4941 18.4941 18.4941 18.4941 19.1431 19.1431 k = 0.4015 0.2318 0.3113 ( 1038 PWs) bands (ev): 0.2382 0.2382 0.2382 0.2382 7.8768 7.8768 7.8768 7.8768 10.8877 10.8877 10.8877 10.8877 11.0434 11.0434 11.0434 11.0434 13.9157 13.9157 13.9157 13.9157 15.7232 15.7232 15.7232 15.7232 16.2635 16.2635 16.2635 16.2635 18.4745 18.4745 18.4745 18.4745 19.1787 19.1787 k = 0.4091 0.2362 0.3113 ( 1038 PWs) bands (ev): 0.2651 0.2651 0.2651 0.2651 7.8471 7.8471 7.8471 7.8471 10.8809 10.8809 10.8809 10.8809 11.0289 11.0289 11.0289 11.0289 13.9185 13.9185 13.9185 13.9185 15.7520 15.7520 15.7520 15.7520 16.2544 16.2544 16.2544 16.2544 18.4556 18.4556 18.4556 18.4556 19.2125 19.2125 k = 0.4167 0.2406 0.3113 ( 1030 PWs) bands (ev): 0.2901 0.2901 0.2901 0.2901 7.8195 7.8195 7.8195 7.8195 10.8746 10.8746 10.8746 10.8746 11.0150 11.0150 11.0150 11.0150 13.9217 13.9217 13.9217 13.9217 15.7796 15.7796 15.7796 15.7796 16.2459 16.2459 16.2459 16.2459 18.4374 18.4374 18.4374 18.4374 19.2444 19.2444 k = 0.4242 0.2449 0.3113 ( 1034 PWs) bands (ev): 0.3134 0.3134 0.3134 0.3134 7.7941 7.7941 7.7941 7.7941 10.8686 10.8686 10.8686 10.8686 11.0019 11.0019 11.0019 11.0019 13.9250 13.9250 13.9250 13.9250 15.8051 15.8051 15.8051 15.8051 16.2380 16.2380 16.2380 16.2380 18.4199 18.4199 18.4199 18.4199 19.2740 19.2740 k = 0.4318 0.2493 0.3113 ( 1034 PWs) bands (ev): 0.3347 0.3347 0.3347 0.3347 7.7709 7.7709 7.7709 7.7709 10.8632 10.8632 10.8632 10.8632 10.9897 10.9897 10.9897 10.9897 13.9285 13.9285 13.9285 13.9285 15.8288 15.8288 15.8288 15.8288 16.2306 16.2306 16.2306 16.2306 18.4036 18.4036 18.4036 18.4036 19.3013 19.3013 k = 0.4394 0.2537 0.3113 ( 1034 PWs) bands (ev): 0.3539 0.3539 0.3539 0.3539 7.7499 7.7499 7.7499 7.7499 10.8583 10.8583 10.8583 10.8583 10.9784 10.9784 10.9784 10.9784 13.9320 13.9320 13.9320 13.9320 15.8506 15.8506 15.8506 15.8506 16.2240 16.2240 16.2240 16.2240 18.3885 18.3885 18.3885 18.3885 19.3261 19.3261 k = 0.4470 0.2581 0.3113 ( 1034 PWs) bands (ev): 0.3712 0.3712 0.3712 0.3712 7.7314 7.7314 7.7314 7.7314 10.8540 10.8540 10.8540 10.8540 10.9683 10.9683 10.9683 10.9683 13.9353 13.9353 13.9353 13.9353 15.8703 15.8703 15.8703 15.8703 16.2181 16.2181 16.2181 16.2181 18.3747 18.3747 18.3747 18.3747 19.3484 19.3484 k = 0.4545 0.2624 0.3113 ( 1030 PWs) bands (ev): 0.3862 0.3862 0.3862 0.3862 7.7152 7.7152 7.7152 7.7152 10.8502 10.8502 10.8502 10.8502 10.9593 10.9593 10.9593 10.9593 13.9385 13.9385 13.9385 13.9385 15.8877 15.8877 15.8877 15.8877 16.2130 16.2130 16.2130 16.2130 18.3625 18.3625 18.3625 18.3625 19.3680 19.3680 k = 0.4621 0.2668 0.3113 ( 1038 PWs) bands (ev): 0.3991 0.3991 0.3991 0.3991 7.7013 7.7013 7.7013 7.7013 10.8469 10.8469 10.8469 10.8469 10.9516 10.9516 10.9516 10.9516 13.9413 13.9413 13.9413 13.9413 15.9023 15.9023 15.9023 15.9023 16.2084 16.2084 16.2084 16.2084 18.3518 18.3518 18.3518 18.3518 19.3847 19.3847 k = 0.4697 0.2712 0.3113 ( 1038 PWs) bands (ev): 0.4096 0.4096 0.4096 0.4096 7.6900 7.6900 7.6900 7.6900 10.8443 10.8443 10.8443 10.8443 10.9452 10.9452 10.9452 10.9452 13.9437 13.9437 13.9437 13.9437 15.9146 15.9146 15.9146 15.9146 16.2049 16.2049 16.2049 16.2049 18.3429 18.3429 18.3429 18.3429 19.3985 19.3985 k = 0.4773 0.2756 0.3113 ( 1038 PWs) bands (ev): 0.4179 0.4179 0.4179 0.4179 7.6811 7.6811 7.6811 7.6811 10.8422 10.8422 10.8422 10.8422 10.9401 10.9401 10.9401 10.9401 13.9456 13.9456 13.9456 13.9456 15.9243 15.9243 15.9243 15.9243 16.2021 16.2021 16.2021 16.2021 18.3359 18.3359 18.3359 18.3359 19.4093 19.4093 k = 0.4848 0.2799 0.3113 ( 1034 PWs) bands (ev): 0.4239 0.4239 0.4239 0.4239 7.6749 7.6749 7.6749 7.6749 10.8407 10.8407 10.8407 10.8407 10.9365 10.9365 10.9365 10.9365 13.9470 13.9470 13.9470 13.9470 15.9313 15.9313 15.9313 15.9313 16.2003 16.2003 16.2003 16.2003 18.3308 18.3308 18.3308 18.3308 19.4171 19.4171 k = 0.4924 0.2843 0.3113 ( 1032 PWs) bands (ev): 0.4274 0.4274 0.4274 0.4274 7.6711 7.6711 7.6711 7.6711 10.8398 10.8398 10.8398 10.8398 10.9343 10.9343 10.9343 10.9343 13.9479 13.9479 13.9479 13.9479 15.9355 15.9355 15.9355 15.9355 16.1992 16.1992 16.1992 16.1992 18.3277 18.3277 18.3277 18.3277 19.4218 19.4218 k = 0.5000 0.2887 0.3113 ( 1032 PWs) bands (ev): 0.4286 0.4286 0.4286 0.4286 7.6698 7.6698 7.6698 7.6698 10.8395 10.8395 10.8395 10.8395 10.9336 10.9336 10.9336 10.9336 13.9482 13.9482 13.9482 13.9482 15.9369 15.9369 15.9369 15.9369 16.1988 16.1988 16.1988 16.1988 18.3267 18.3267 18.3267 18.3267 19.4233 19.4233 k = 0.5000 0.2887 0.3113 ( 1032 PWs) bands (ev): 0.4286 0.4286 0.4286 0.4286 7.6698 7.6698 7.6698 7.6698 10.8395 10.8395 10.8395 10.8395 10.9336 10.9336 10.9336 10.9336 13.9482 13.9482 13.9482 13.9482 15.9369 15.9369 15.9369 15.9369 16.1988 16.1988 16.1988 16.1988 18.3267 18.3267 18.3267 18.3267 19.4233 19.4233 k = 0.4956 0.2963 0.3113 ( 1032 PWs) bands (ev): 0.4285 0.4285 0.4293 0.4293 7.6701 7.6701 7.6712 7.6712 10.8344 10.8344 10.8365 10.8365 10.9341 10.9341 10.9372 10.9372 13.9491 13.9491 13.9498 13.9498 15.9328 15.9328 15.9407 15.9407 16.1941 16.1941 16.2025 16.2025 18.3220 18.3220 18.3230 18.3230 19.4268 19.4272 k = 0.4912 0.3039 0.3113 ( 1032 PWs) bands (ev): 0.4290 0.4290 0.4306 0.4306 7.6720 7.6720 7.6742 7.6742 10.8226 10.8226 10.8259 10.8259 10.9381 10.9381 10.9435 10.9435 13.9526 13.9526 13.9539 13.9539 15.9283 15.9283 15.9441 15.9441 16.1885 16.1885 16.2052 16.2052 18.3092 18.3092 18.3112 18.3112 19.4376 19.4376 k = 0.4868 0.3115 0.3113 ( 1032 PWs) bands (ev): 0.4301 0.4301 0.4325 0.4325 7.6756 7.6756 7.6790 7.6790 10.8060 10.8060 10.8098 10.8098 10.9438 10.9438 10.9507 10.9507 13.9585 13.9585 13.9604 13.9604 15.9233 15.9233 15.9470 15.9470 16.1820 16.1820 16.2070 16.2070 18.2888 18.2888 18.2918 18.2918 19.4550 19.4552 k = 0.4825 0.3191 0.3113 ( 1032 PWs) bands (ev): 0.4318 0.4318 0.4350 0.4350 7.6808 7.6808 7.6853 7.6853 10.7859 10.7859 10.7897 10.7897 10.9496 10.9496 10.9574 10.9574 13.9667 13.9667 13.9693 13.9693 15.9179 15.9179 15.9493 15.9493 16.1747 16.1747 16.2079 16.2079 18.2619 18.2619 18.2657 18.2657 19.4782 19.4782 k = 0.4781 0.3267 0.3113 ( 1028 PWs) bands (ev): 0.4341 0.4341 0.4380 0.4380 7.6876 7.6876 7.6933 7.6933 10.7632 10.7632 10.7667 10.7667 10.9546 10.9546 10.9630 10.9630 13.9774 13.9774 13.9805 13.9805 15.9121 15.9121 15.9511 15.9511 16.1668 16.1668 16.2081 16.2081 18.2294 18.2294 18.2340 18.2340 19.5063 19.5063 k = 0.4737 0.3343 0.3113 ( 1028 PWs) bands (ev): 0.4370 0.4370 0.4417 0.4417 7.6960 7.6960 7.7028 7.7028 10.7384 10.7384 10.7415 10.7415 10.9580 10.9580 10.9670 10.9670 13.9903 13.9903 13.9938 13.9938 15.9056 15.9056 15.9518 15.9518 16.1587 16.1587 16.2076 16.2076 18.1925 18.1925 18.1977 18.1977 19.5381 19.5381 k = 0.4693 0.3419 0.3113 ( 1024 PWs) bands (ev): 0.4404 0.4404 0.4458 0.4458 7.7059 7.7059 7.7139 7.7139 10.7119 10.7119 10.7144 10.7144 10.9599 10.9599 10.9691 10.9691 14.0053 14.0053 14.0093 14.0093 15.8983 15.8983 15.9513 15.9513 16.1506 16.1506 16.2067 16.2067 18.1522 18.1522 18.1580 18.1580 19.5728 19.5728 k = 0.4649 0.3494 0.3113 ( 1028 PWs) bands (ev): 0.4443 0.4443 0.4505 0.4505 7.7173 7.7173 7.7264 7.7264 10.6839 10.6839 10.6858 10.6858 10.9597 10.9597 10.9691 10.9691 14.0222 14.0222 14.0265 14.0265 15.8900 15.8900 15.9491 15.9491 16.1430 16.1430 16.2056 16.2056 18.1091 18.1091 18.1154 18.1154 19.6095 19.6095 k = 0.4605 0.3570 0.3113 ( 1028 PWs) bands (ev): 0.4487 0.4487 0.4557 0.4557 7.7302 7.7302 7.7405 7.7405 10.6547 10.6547 10.6560 10.6560 10.9577 10.9577 10.9672 10.9672 14.0409 14.0409 14.0456 14.0456 15.8808 15.8808 15.9446 15.9446 16.1367 16.1367 16.2046 16.2046 18.0644 18.0644 18.0710 18.0710 19.6476 19.6476 k = 0.4561 0.3646 0.3113 ( 1032 PWs) bands (ev): 0.4537 0.4537 0.4614 0.4614 7.7445 7.7445 7.7559 7.7559 10.6244 10.6244 10.6250 10.6250 10.9536 10.9536 10.9631 10.9631 14.0613 14.0613 14.0662 14.0662 15.8701 15.8701 15.9374 15.9374 16.1322 16.1322 16.2039 16.2039 18.0184 18.0184 18.0254 18.0254 19.6863 19.6863 k = 0.4518 0.3722 0.3113 ( 1032 PWs) bands (ev): 0.4591 0.4591 0.4676 0.4676 7.7601 7.7601 7.7726 7.7726 10.5933 10.5933 10.5933 10.5933 10.9476 10.9476 10.9571 10.9571 14.0832 14.0832 14.0882 14.0882 15.8580 15.8580 15.9269 15.9269 16.1301 16.1301 16.2039 16.2039 17.9720 17.9720 17.9792 17.9792 19.7254 19.7254 k = 0.4474 0.3798 0.3113 ( 1036 PWs) bands (ev): 0.4650 0.4650 0.4742 0.4742 7.7769 7.7769 7.7906 7.7906 10.5609 10.5609 10.5616 10.5616 10.9397 10.9397 10.9490 10.9490 14.1064 14.1064 14.1114 14.1114 15.8440 15.8440 15.9128 15.9128 16.1308 16.1308 16.2048 16.2048 17.9256 17.9256 17.9328 17.9328 19.7643 19.7643 k = 0.4430 0.3874 0.3113 ( 1036 PWs) bands (ev): 0.4713 0.4713 0.4812 0.4812 7.7949 7.7949 7.8097 7.8097 10.5282 10.5282 10.5295 10.5295 10.9298 10.9298 10.9390 10.9390 14.1308 14.1308 14.1358 14.1358 15.8284 15.8284 15.8954 15.8954 16.1345 16.1345 16.2072 16.2072 17.8794 17.8794 17.8866 17.8866 19.8027 19.8027 k = 0.4386 0.3950 0.3113 ( 1036 PWs) bands (ev): 0.4780 0.4780 0.4885 0.4885 7.8139 7.8139 7.8299 7.8299 10.4952 10.4952 10.4971 10.4971 10.9181 10.9181 10.9271 10.9271 14.1562 14.1562 14.1611 14.1611 15.8107 15.8107 15.8747 15.8747 16.1412 16.1412 16.2113 16.2113 17.8336 17.8336 17.8407 17.8407 19.8405 19.8405 k = 0.4342 0.4026 0.3113 ( 1034 PWs) bands (ev): 0.4850 0.4850 0.4962 0.4962 7.8339 7.8339 7.8511 7.8511 10.4621 10.4621 10.4646 10.4646 10.9047 10.9047 10.9133 10.9133 14.1824 14.1824 14.1871 14.1871 15.7910 15.7910 15.8512 15.8512 16.1507 16.1507 16.2173 16.2173 17.7886 17.7886 17.7955 17.7955 19.8774 19.8774 k = 0.4298 0.4102 0.3113 ( 1036 PWs) bands (ev): 0.4923 0.4923 0.5042 0.5042 7.8548 7.8548 7.8731 7.8731 10.4291 10.4291 10.4322 10.4322 10.8895 10.8895 10.8978 10.8978 14.2094 14.2094 14.2137 14.2137 15.7691 15.7691 15.8249 15.8249 16.1628 16.1628 16.2254 16.2254 17.7443 17.7443 17.7510 17.7510 19.9132 19.9132 k = 0.4254 0.4178 0.3113 ( 1032 PWs) bands (ev): 0.5000 0.5000 0.5125 0.5125 7.8763 7.8763 7.8959 7.8959 10.3964 10.3964 10.4001 10.4001 10.8728 10.8728 10.8808 10.8808 14.2368 14.2368 14.2407 14.2407 15.7452 15.7452 15.7964 15.7964 16.1773 16.1773 16.2358 16.2358 17.7012 17.7012 17.7076 17.7076 19.9479 19.9479 k = 0.4211 0.4254 0.3113 ( 1032 PWs) bands (ev): 0.5078 0.5078 0.5210 0.5210 7.8985 7.8985 7.9192 7.9192 10.3643 10.3643 10.3685 10.3685 10.8546 10.8546 10.8621 10.8621 14.2647 14.2647 14.2681 14.2681 15.7192 15.7192 15.7659 15.7659 16.1941 16.1941 16.2485 16.2485 17.6590 17.6590 17.6652 17.6652 19.9812 19.9812 k = 0.4167 0.4330 0.3113 ( 1032 PWs) bands (ev): 0.5158 0.5158 0.5296 0.5296 7.9210 7.9210 7.9429 7.9429 10.3328 10.3328 10.3374 10.3374 10.8350 10.8350 10.8422 10.8422 14.2929 14.2929 14.2957 14.2957 15.6914 15.6914 15.7337 15.7337 16.2131 16.2131 16.2636 16.2636 17.6178 17.6178 17.6236 17.6236 20.0133 20.0133 k = 0.4123 0.4406 0.3113 ( 1032 PWs) bands (ev): 0.5240 0.5240 0.5384 0.5384 7.9439 7.9439 7.9670 7.9670 10.3021 10.3021 10.3072 10.3072 10.8142 10.8142 10.8209 10.8209 14.3212 14.3212 14.3235 14.3235 15.6620 15.6620 15.7002 15.7002 16.2341 16.2341 16.2811 16.2811 17.5775 17.5775 17.5830 17.5830 20.0439 20.0439 k = 0.4079 0.4482 0.3113 ( 1032 PWs) bands (ev): 0.5323 0.5323 0.5472 0.5472 7.9668 7.9668 7.9911 7.9911 10.2725 10.2725 10.2781 10.2781 10.7924 10.7924 10.7986 10.7986 14.3497 14.3497 14.3513 14.3513 15.6311 15.6311 15.6656 15.6656 16.2572 16.2572 16.3009 16.3009 17.5382 17.5382 17.5432 17.5432 20.0731 20.0731 k = 0.4035 0.4558 0.3113 ( 1038 PWs) bands (ev): 0.5406 0.5406 0.5560 0.5560 7.9897 7.9897 8.0151 8.0151 10.2442 10.2442 10.2501 10.2501 10.7697 10.7697 10.7754 10.7754 14.3780 14.3780 14.3788 14.3788 15.5990 15.5990 15.6300 15.6300 16.2820 16.2820 16.3228 16.3228 17.4995 17.4995 17.5042 17.5042 20.1007 20.1007 k = 0.3991 0.4634 0.3113 ( 1038 PWs) bands (ev): 0.5488 0.5488 0.5648 0.5648 8.0123 8.0123 8.0389 8.0389 10.2172 10.2172 10.2234 10.2234 10.7462 10.7462 10.7514 10.7514 14.4064 14.4064 14.4064 14.4064 15.5659 15.5659 15.5938 15.5938 16.3087 16.3087 16.3472 16.3472 17.4616 17.4616 17.4660 17.4660 20.1269 20.1269 k = 0.3947 0.4710 0.3113 ( 1042 PWs) bands (ev): 0.5570 0.5570 0.5735 0.5735 8.0344 8.0344 8.0622 8.0622 10.1919 10.1919 10.1984 10.1984 10.7222 10.7222 10.7269 10.7269 14.4339 14.4339 14.4347 14.4347 15.5322 15.5322 15.5574 15.5574 16.3369 16.3369 16.3734 16.3734 17.4242 17.4242 17.4284 17.4284 20.1516 20.1516 k = 0.3904 0.4786 0.3113 ( 1042 PWs) bands (ev): 0.5651 0.5651 0.5820 0.5820 8.0560 8.0560 8.0849 8.0849 10.1684 10.1684 10.1750 10.1750 10.6978 10.6978 10.7020 10.7020 14.4611 14.4611 14.4628 14.4628 15.4981 15.4981 15.5208 15.5208 16.3669 16.3669 16.4017 16.4017 17.3873 17.3873 17.3913 17.3913 20.1747 20.1747 k = 0.3860 0.4862 0.3113 ( 1042 PWs) bands (ev): 0.5730 0.5730 0.5903 0.5903 8.0766 8.0766 8.1067 8.1067 10.1467 10.1467 10.1536 10.1536 10.6734 10.6734 10.6770 10.6770 14.4880 14.4880 14.4906 14.4906 15.4639 15.4639 15.4843 15.4843 16.3984 16.3984 16.4318 16.4318 17.3508 17.3508 17.3546 17.3546 20.1963 20.1963 k = 0.3816 0.4938 0.3113 ( 1042 PWs) bands (ev): 0.5807 0.5807 0.5984 0.5984 8.0963 8.0963 8.1274 8.1274 10.1272 10.1272 10.1342 10.1342 10.6490 10.6490 10.6522 10.6522 14.5146 14.5146 14.5181 14.5181 15.4297 15.4297 15.4481 15.4481 16.4311 16.4311 16.4636 16.4636 17.3144 17.3144 17.3183 17.3183 20.2162 20.2162 k = 0.3772 0.5014 0.3113 ( 1042 PWs) bands (ev): 0.5880 0.5880 0.6061 0.6061 8.1147 8.1147 8.1469 8.1469 10.1098 10.1098 10.1169 10.1169 10.6251 10.6251 10.6277 10.6277 14.5407 14.5407 14.5451 14.5451 15.3960 15.3960 15.4126 15.4126 16.4650 16.4650 16.4970 16.4970 17.2782 17.2782 17.2822 17.2822 20.2346 20.2346 k = 0.3728 0.5090 0.3113 ( 1042 PWs) bands (ev): 0.5949 0.5949 0.6134 0.6134 8.1317 8.1317 8.1649 8.1649 10.0946 10.0946 10.1018 10.1018 10.6017 10.6017 10.6038 10.6038 14.5661 14.5661 14.5715 14.5715 15.3630 15.3630 15.3779 15.3779 16.4999 16.4999 16.5317 16.5317 17.2419 17.2419 17.2464 17.2464 20.2513 20.2513 k = 0.3684 0.5166 0.3113 ( 1046 PWs) bands (ev): 0.6014 0.6014 0.6201 0.6201 8.1470 8.1470 8.1812 8.1812 10.0818 10.0818 10.0890 10.0890 10.5792 10.5792 10.5809 10.5809 14.5908 14.5908 14.5971 14.5971 15.3310 15.3310 15.3445 15.3445 16.5355 16.5355 16.5676 16.5676 17.2055 17.2055 17.2107 17.2107 20.2663 20.2663 k = 0.3640 0.5242 0.3113 ( 1046 PWs) bands (ev): 0.6074 0.6074 0.6264 0.6264 8.1607 8.1607 8.1957 8.1957 10.0712 10.0712 10.0785 10.0785 10.5580 10.5580 10.5592 10.5592 14.6144 14.6144 14.6216 14.6216 15.3005 15.3005 15.3127 15.3127 16.5715 16.5715 16.6045 16.6045 17.1690 17.1690 17.1754 17.1754 20.2797 20.2797 k = 0.3596 0.5318 0.3113 ( 1042 PWs) bands (ev): 0.6128 0.6128 0.6321 0.6321 8.1726 8.1726 8.2084 8.2084 10.0629 10.0629 10.0703 10.0703 10.5383 10.5383 10.5391 10.5391 14.6369 14.6369 14.6449 14.6449 15.2719 15.2719 15.2829 15.2829 16.6078 16.6078 16.6423 16.6423 17.1324 17.1324 17.1404 17.1404 20.2915 20.2915 k = 0.3553 0.5394 0.3113 ( 1042 PWs) bands (ev): 0.6176 0.6176 0.6370 0.6370 8.1826 8.1826 8.2190 8.2190 10.0566 10.0566 10.0641 10.0641 10.5206 10.5206 10.5209 10.5209 14.6574 14.6574 14.6663 14.6663 15.2457 15.2457 15.2558 15.2558 16.6437 16.6437 16.6805 16.6805 17.0956 17.0956 17.1061 17.1061 20.3015 20.3015 k = 0.3509 0.5470 0.3113 ( 1042 PWs) bands (ev): 0.6216 0.6216 0.6412 0.6412 8.1907 8.1907 8.2277 8.2277 10.0522 10.0522 10.0597 10.0597 10.5051 10.5051 10.5051 10.5051 14.6756 14.6756 14.6853 14.6853 15.2227 15.2227 15.2319 15.2319 16.6785 16.6785 16.7189 16.7189 17.0588 17.0588 17.0730 17.0730 20.3097 20.3097 k = 0.3465 0.5546 0.3113 ( 1038 PWs) bands (ev): 0.6249 0.6249 0.6446 0.6446 8.1968 8.1968 8.2343 8.2343 10.0494 10.0494 10.0570 10.0570 10.4921 10.4921 10.4924 10.4924 14.6910 14.6910 14.7013 14.7013 15.2036 15.2036 15.2121 15.2121 16.7111 16.7111 16.7570 16.7570 17.0225 17.0225 17.0421 17.0421 20.3162 20.3162 k = 0.3421 0.5622 0.3113 ( 1038 PWs) bands (ev): 0.6273 0.6273 0.6472 0.6472 8.2011 8.2011 8.2389 8.2389 10.0479 10.0479 10.0555 10.0555 10.4823 10.4823 10.4828 10.4828 14.7026 14.7026 14.7135 14.7135 15.1892 15.1892 15.1971 15.1971 16.7393 16.7393 16.7933 16.7933 16.9875 16.9875 17.0152 17.0152 20.3209 20.3209 k = 0.3377 0.5698 0.3113 ( 1038 PWs) bands (ev): 0.6288 0.6288 0.6487 0.6487 8.2036 8.2036 8.2415 8.2415 10.0473 10.0473 10.0549 10.0549 10.4761 10.4761 10.4768 10.4768 14.7099 14.7099 14.7211 14.7211 15.1801 15.1801 15.1877 15.1877 16.7597 16.7597 16.8243 16.8243 16.9574 16.9574 16.9957 16.9957 20.3237 20.3237 k = 0.3333 0.5774 0.3113 ( 1038 PWs) bands (ev): 0.6293 0.6293 0.6492 0.6492 8.2044 8.2044 8.2424 8.2424 10.0471 10.0471 10.0548 10.0548 10.4740 10.4740 10.4747 10.4747 14.7124 14.7124 14.7237 14.7237 15.1771 15.1771 15.1846 15.1846 16.7673 16.7673 16.8386 16.8386 16.9433 16.9433 16.9884 16.9884 20.3247 20.3247 k = 0.3333 0.5774 0.3113 ( 1038 PWs) bands (ev): 0.6293 0.6293 0.6492 0.6492 8.2044 8.2044 8.2424 8.2424 10.0471 10.0471 10.0548 10.0548 10.4740 10.4740 10.4747 10.4747 14.7124 14.7124 14.7237 14.7237 15.1771 15.1771 15.1846 15.1846 16.7673 16.7673 16.8386 16.8386 16.9433 16.9433 16.9884 16.9884 20.3247 20.3247 k = 0.3289 0.5698 0.3113 ( 1038 PWs) bands (ev): 0.6288 0.6288 0.6487 0.6487 8.2036 8.2036 8.2416 8.2416 10.0472 10.0472 10.0548 10.0548 10.4762 10.4762 10.4768 10.4768 14.7099 14.7099 14.7211 14.7211 15.1801 15.1801 15.1877 15.1877 16.7595 16.7595 16.8240 16.8240 16.9576 16.9576 16.9958 16.9958 20.3237 20.3237 k = 0.3246 0.5622 0.3113 ( 1038 PWs) bands (ev): 0.6271 0.6271 0.6470 0.6470 8.2016 8.2016 8.2393 8.2393 10.0471 10.0471 10.0547 10.0547 10.4830 10.4830 10.4834 10.4834 14.7027 14.7027 14.7136 14.7136 15.1892 15.1892 15.1970 15.1970 16.7384 16.7384 16.7919 16.7919 16.9885 16.9885 17.0158 17.0158 20.3208 20.3208 k = 0.3202 0.5546 0.3113 ( 1042 PWs) bands (ev): 0.6243 0.6243 0.6441 0.6441 8.1984 8.1984 8.2358 8.2358 10.0468 10.0468 10.0543 10.0543 10.4942 10.4942 10.4944 10.4944 14.6913 14.6913 14.7017 14.7017 15.2036 15.2036 15.2118 15.2118 16.7084 16.7084 16.7533 16.7533 17.0248 17.0248 17.0436 17.0436 20.3159 20.3159 k = 0.3158 0.5470 0.3113 ( 1042 PWs) bands (ev): 0.6203 0.6203 0.6399 0.6399 8.1942 8.1942 8.2312 8.2312 10.0462 10.0462 10.0537 10.0537 10.5099 10.5099 10.5099 10.5099 14.6764 14.6764 14.6864 14.6864 15.2228 15.2228 15.2314 15.2314 16.6731 16.6731 16.7120 16.7120 17.0630 17.0630 17.0759 17.0759 20.3091 20.3091 k = 0.3114 0.5394 0.3113 ( 1042 PWs) bands (ev): 0.6150 0.6150 0.6344 0.6344 8.1894 8.1894 8.2259 8.2259 10.0454 10.0454 10.0528 10.0528 10.5294 10.5294 10.5298 10.5298 14.6589 14.6589 14.6684 14.6684 15.2458 15.2458 15.2548 15.2548 16.6344 16.6344 16.6691 16.6691 17.1017 17.1017 17.1105 17.1105 20.3003 20.3003 k = 0.3070 0.5318 0.3113 ( 1042 PWs) bands (ev): 0.6084 0.6084 0.6276 0.6276 8.1842 8.1842 8.2200 8.2200 10.0445 10.0445 10.0519 10.0519 10.5527 10.5527 10.5535 10.5535 14.6394 14.6394 14.6483 14.6483 15.2721 15.2721 15.2813 15.2813 16.5934 16.5934 16.6250 16.6250 17.1404 17.1404 17.1463 17.1463 20.2895 20.2895 k = 0.3026 0.5242 0.3113 ( 1042 PWs) bands (ev): 0.6004 0.6004 0.6194 0.6194 8.1787 8.1787 8.2138 8.2138 10.0438 10.0438 10.0512 10.0512 10.5794 10.5794 10.5806 10.5806 14.6185 14.6185 14.6270 14.6270 15.3008 15.3008 15.3103 15.3103 16.5510 16.5510 16.5800 16.5800 17.1789 17.1789 17.1827 17.1827 20.2767 20.2767 k = 0.2982 0.5166 0.3113 ( 1042 PWs) bands (ev): 0.5910 0.5910 0.6097 0.6097 8.1733 8.1733 8.2075 8.2075 10.0435 10.0435 10.0509 10.0509 10.6091 10.6091 10.6107 10.6107 14.5968 14.5968 14.6047 14.6047 15.3316 15.3316 15.3411 15.3411 16.5074 16.5074 16.5344 16.5344 17.2169 17.2169 17.2191 17.2191 20.2619 20.2619 k = 0.2939 0.5090 0.3113 ( 1040 PWs) bands (ev): 0.5801 0.5801 0.5986 0.5986 8.1681 8.1681 8.2014 8.2014 10.0437 10.0437 10.0512 10.0512 10.6414 10.6414 10.6435 10.6435 14.5746 14.5746 14.5819 14.5819 15.3639 15.3639 15.3733 15.3733 16.4631 16.4631 16.4883 16.4883 17.2544 17.2544 17.2553 17.2553 20.2451 20.2451 k = 0.2895 0.5014 0.3113 ( 1048 PWs) bands (ev): 0.5678 0.5678 0.5859 0.5859 8.1633 8.1633 8.1956 8.1956 10.0447 10.0447 10.0523 10.0523 10.6758 10.6758 10.6782 10.6782 14.5520 14.5520 14.5589 14.5589 15.3971 15.3971 15.4063 15.4063 16.4182 16.4182 16.4416 16.4416 17.2911 17.2911 17.2912 17.2912 20.2262 20.2262 k = 0.2851 0.4938 0.3113 ( 1040 PWs) bands (ev): 0.5540 0.5540 0.5718 0.5718 8.1593 8.1593 8.1906 8.1906 10.0466 10.0466 10.0544 10.0544 10.7120 10.7120 10.7148 10.7148 14.5296 14.5296 14.5360 14.5360 15.4311 15.4311 15.4398 15.4398 16.3736 16.3736 16.3954 16.3954 17.3266 17.3266 17.3275 17.3275 20.2054 20.2054 k = 0.2807 0.4862 0.3113 ( 1036 PWs) bands (ev): 0.5387 0.5387 0.5561 0.5561 8.1561 8.1561 8.1863 8.1863 10.0497 10.0497 10.0576 10.0576 10.7496 10.7496 10.7528 10.7528 14.5074 14.5074 14.5133 14.5133 15.4653 15.4653 15.4733 15.4733 16.3289 16.3289 16.3489 16.3489 17.3615 17.3615 17.3630 17.3630 20.1828 20.1828 k = 0.2763 0.4786 0.3113 ( 1036 PWs) bands (ev): 0.5219 0.5219 0.5388 0.5388 8.1539 8.1539 8.1829 8.1829 10.0539 10.0539 10.0620 10.0620 10.7883 10.7883 10.7919 10.7919 14.4857 14.4857 14.4911 14.4911 15.4993 15.4993 15.5063 15.5063 16.2849 16.2849 16.3029 16.3029 17.3955 17.3955 17.3976 17.3976 20.1581 20.1581 k = 0.2719 0.4710 0.3113 ( 1036 PWs) bands (ev): 0.5036 0.5036 0.5200 0.5200 8.1528 8.1528 8.1806 8.1806 10.0594 10.0594 10.0678 10.0678 10.8278 10.8278 10.8317 10.8317 14.4645 14.4645 14.4694 14.4694 15.5325 15.5325 15.5380 15.5380 16.2421 16.2421 16.2578 16.2578 17.4289 17.4289 17.4314 17.4314 20.1316 20.1316 k = 0.2675 0.4634 0.3113 ( 1036 PWs) bands (ev): 0.4837 0.4837 0.4997 0.4997 8.1531 8.1531 8.1797 8.1797 10.0663 10.0663 10.0750 10.0750 10.8678 10.8678 10.8720 10.8720 14.4439 14.4439 14.4483 14.4483 15.5642 15.5642 15.5678 15.5678 16.2012 16.2012 16.2142 16.2142 17.4615 17.4615 17.4643 17.4643 20.1034 20.1034 k = 0.2632 0.4558 0.3113 ( 1036 PWs) bands (ev): 0.4623 0.4623 0.4779 0.4779 8.1548 8.1548 8.1801 8.1801 10.0746 10.0746 10.0836 10.0836 10.9080 10.9080 10.9126 10.9126 14.4241 14.4241 14.4279 14.4279 15.5935 15.5935 15.5945 15.5945 16.1633 16.1633 16.1730 16.1730 17.4932 17.4932 17.4964 17.4964 20.0734 20.0734 k = 0.2588 0.4482 0.3113 ( 1036 PWs) bands (ev): 0.4394 0.4394 0.4545 0.4545 8.1580 8.1580 8.1821 8.1821 10.0843 10.0843 10.0936 10.0936 10.9483 10.9483 10.9531 10.9531 14.4051 14.4051 14.4083 14.4083 15.6168 15.6168 15.6191 15.6191 16.1297 16.1297 16.1353 16.1353 17.5241 17.5241 17.5276 17.5276 20.0417 20.0417 k = 0.2544 0.4406 0.3113 ( 1040 PWs) bands (ev): 0.4151 0.4151 0.4296 0.4296 8.1629 8.1629 8.1857 8.1857 10.0955 10.0955 10.1051 10.1051 10.9882 10.9882 10.9933 10.9933 14.3870 14.3870 14.3896 14.3896 15.6327 15.6327 15.6393 15.6393 16.1020 16.1020 16.1028 16.1028 17.5542 17.5542 17.5580 17.5580 20.0085 20.0086 k = 0.2500 0.4330 0.3113 ( 1036 PWs) bands (ev): 0.3893 0.3893 0.4033 0.4033 8.1696 8.1696 8.1911 8.1911 10.1082 10.1082 10.1181 10.1181 11.0278 11.0278 11.0331 11.0331 14.3699 14.3699 14.3719 14.3719 15.6406 15.6406 15.6521 15.6521 16.0779 16.0779 16.0826 16.0826 17.5834 17.5834 17.5874 17.5874 19.9739 19.9739 k = 0.2456 0.4254 0.3113 ( 1040 PWs) bands (ev): 0.3621 0.3621 0.3756 0.3756 8.1780 8.1780 8.1983 8.1983 10.1223 10.1223 10.1326 10.1326 11.0666 11.0666 11.0722 11.0722 14.3538 14.3538 14.3552 14.3552 15.6386 15.6386 15.6551 15.6551 16.0623 16.0623 16.0726 16.0726 17.6117 17.6117 17.6160 17.6160 19.9379 19.9550 k = 0.2412 0.4178 0.3113 ( 1040 PWs) bands (ev): 0.3335 0.3335 0.3465 0.3465 8.1883 8.1883 8.2074 8.2074 10.1379 10.1379 10.1485 10.1485 11.1047 11.1047 11.1105 11.1105 14.3389 14.3389 14.3395 14.3395 15.6266 15.6266 15.6474 15.6474 16.0572 16.0572 16.0723 16.0723 17.6392 17.6392 17.6437 17.6437 19.9006 19.9006 k = 0.2368 0.4102 0.3113 ( 1040 PWs) bands (ev): 0.3036 0.3036 0.3161 0.3161 8.2006 8.2006 8.2183 8.2183 10.1549 10.1549 10.1659 10.1659 11.1417 11.1417 11.1478 11.1478 14.3250 14.3250 14.3252 14.3252 15.6054 15.6054 15.6292 15.6292 16.0622 16.0622 16.0810 16.0810 17.6658 17.6658 17.6706 17.6706 19.8623 19.8623 k = 0.2325 0.4026 0.3113 ( 1040 PWs) bands (ev): 0.2725 0.2725 0.2844 0.2844 8.2147 8.2147 8.2313 8.2313 10.1733 10.1733 10.1847 10.1847 11.1775 11.1775 11.1838 11.1838 14.3117 14.3117 14.3126 14.3126 15.5770 15.5770 15.6024 15.6024 16.0756 16.0756 16.0967 16.0967 17.6915 17.6915 17.6966 17.6966 19.8230 19.8230 k = 0.2281 0.3950 0.3113 ( 1042 PWs) bands (ev): 0.2402 0.2402 0.2515 0.2515 8.2309 8.2309 8.2461 8.2461 10.1930 10.1930 10.2047 10.2047 11.2119 11.2119 11.2185 11.2185 14.2995 14.2995 14.3013 14.3013 15.5432 15.5432 15.5692 15.5692 16.0950 16.0950 16.1174 16.1174 17.7164 17.7164 17.7219 17.7219 19.7828 19.7828 k = 0.2237 0.3874 0.3113 ( 1040 PWs) bands (ev): 0.2067 0.2067 0.2175 0.2175 8.2490 8.2490 8.2630 8.2630 10.2141 10.2141 10.2261 10.2261 11.2449 11.2449 11.2516 11.2516 14.2887 14.2887 14.2914 14.2914 15.5057 15.5057 15.5317 15.5317 16.1185 16.1185 16.1415 16.1415 17.7404 17.7404 17.7463 17.7463 19.7420 19.7420 k = 0.2193 0.3798 0.3113 ( 1036 PWs) bands (ev): 0.1721 0.1721 0.1824 0.1824 8.2691 8.2691 8.2820 8.2820 10.2365 10.2365 10.2488 10.2488 11.2762 11.2762 11.2831 11.2831 14.2791 14.2791 14.2828 14.2828 15.4660 15.4660 15.4915 15.4915 16.1442 16.1442 16.1675 16.1675 17.7636 17.7636 17.7700 17.7700 19.7008 19.7008 k = 0.2149 0.3722 0.3113 ( 1028 PWs) bands (ev): 0.1366 0.1366 0.1463 0.1463 8.2912 8.2912 8.3030 8.3030 10.2600 10.2600 10.2727 10.2727 11.3058 11.3058 11.3129 11.3129 14.2710 14.2710 14.2757 14.2757 15.4249 15.4249 15.4496 15.4496 16.1711 16.1711 16.1945 16.1945 17.7862 17.7862 17.7932 17.7932 19.6593 19.6593 k = 0.2105 0.3646 0.3113 ( 1028 PWs) bands (ev): 0.1001 0.1001 0.1093 0.1093 8.3152 8.3152 8.3258 8.3258 10.2846 10.2846 10.2976 10.2976 11.3335 11.3335 11.3407 11.3407 14.2641 14.2641 14.2699 14.2699 15.3832 15.3832 15.4068 15.4068 16.1984 16.1984 16.2217 16.2217 17.8078 17.8078 17.8154 17.8154 19.6175 19.6175 k = 0.2061 0.3570 0.3113 ( 1032 PWs) bands (ev): 0.0627 0.0627 0.0715 0.0715 8.3411 8.3411 8.3506 8.3506 10.3102 10.3102 10.3235 10.3235 11.3592 11.3592 11.3665 11.3665 14.2585 14.2585 14.2654 14.2654 15.3413 15.3413 15.3638 15.3638 16.2252 16.2252 16.2485 16.2485 17.8285 17.8285 17.8369 17.8369 19.5758 19.5758 k = 0.2018 0.3494 0.3113 ( 1032 PWs) bands (ev): 0.0246 0.0246 0.0328 0.0328 8.3689 8.3689 8.3774 8.3774 10.3368 10.3368 10.3503 10.3503 11.3828 11.3828 11.3902 11.3902 14.2544 14.2544 14.2625 14.2625 15.2997 15.2997 15.3209 15.3209 16.2514 16.2514 16.2745 16.2745 17.8485 17.8485 17.8577 17.8577 19.5342 19.5342 k = 0.1974 0.3419 0.3113 ( 1036 PWs) bands (ev): -0.0142 -0.0142 -0.0065 -0.0065 8.3985 8.3985 8.4060 8.4060 10.3643 10.3643 10.3780 10.3780 11.4043 11.4043 11.4118 11.4118 14.2517 14.2517 14.2611 14.2611 15.2587 15.2587 15.2786 15.2786 16.2765 16.2765 16.2995 16.2995 17.8677 17.8677 17.8779 17.8779 19.4930 19.4930 k = 0.1930 0.3343 0.3113 ( 1032 PWs) bands (ev): -0.0536 -0.0536 -0.0464 -0.0464 8.4300 8.4300 8.4365 8.4365 10.3926 10.3926 10.4066 10.4066 11.4237 11.4237 11.4312 11.4312 14.2504 14.2504 14.2612 14.2612 15.2186 15.2186 15.2371 15.2371 16.3001 16.3001 16.3230 16.3230 17.8864 17.8864 17.8976 17.8976 19.4525 19.4525 k = 0.1886 0.3267 0.3113 ( 1030 PWs) bands (ev): -0.0936 -0.0936 -0.0868 -0.0868 8.4632 8.4632 8.4688 8.4688 10.4215 10.4215 10.4358 10.4358 11.4408 11.4408 11.4483 11.4483 14.2505 14.2505 14.2626 14.2626 15.1797 15.1797 15.1966 15.1966 16.3219 16.3219 16.3447 16.3447 17.9045 17.9045 17.9168 17.9168 19.4128 19.4128 k = 0.1842 0.3191 0.3113 ( 1030 PWs) bands (ev): -0.1339 -0.1339 -0.1276 -0.1276 8.4981 8.4981 8.5028 8.5028 10.4512 10.4512 10.4656 10.4656 11.4555 11.4555 11.4631 11.4631 14.2520 14.2520 14.2655 14.2655 15.1419 15.1419 15.1571 15.1571 16.3416 16.3416 16.3644 16.3644 17.9221 17.9221 17.9357 17.9357 19.3740 19.3740 k = 0.1798 0.3115 0.3113 ( 1030 PWs) bands (ev): -0.1747 -0.1747 -0.1687 -0.1687 8.5347 8.5347 8.5385 8.5385 10.4813 10.4813 10.4959 10.4959 11.4681 11.4681 11.4755 11.4755 14.2548 14.2548 14.2698 14.2698 15.1056 15.1056 15.1192 15.1192 16.3592 16.3592 16.3819 16.3819 17.9391 17.9391 17.9541 17.9541 19.3364 19.3364 k = 0.1754 0.3039 0.3113 ( 1034 PWs) bands (ev): -0.2157 -0.2157 -0.2102 -0.2102 8.5727 8.5727 8.5758 8.5758 10.5117 10.5117 10.5265 10.5265 11.4783 11.4783 11.4856 11.4856 14.2588 14.2588 14.2754 14.2754 15.0708 15.0708 15.0826 15.0826 16.3743 16.3743 16.3969 16.3969 17.9557 17.9557 17.9721 17.9721 19.3001 19.3001 k = 0.1711 0.2963 0.3113 ( 1034 PWs) bands (ev): -0.2569 -0.2569 -0.2518 -0.2518 8.6124 8.6124 8.6146 8.6146 10.5426 10.5426 10.5574 10.5574 11.4863 11.4863 11.4935 11.4935 14.2641 14.2641 14.2822 14.2822 15.0378 15.0378 15.0477 15.0477 16.3867 16.3867 16.4093 16.4093 17.9722 17.9722 17.9901 17.9901 19.2652 19.2652 k = 0.1667 0.2887 0.3113 ( 1038 PWs) bands (ev): -0.2982 -0.2982 -0.2934 -0.2934 8.6534 8.6534 8.6550 8.6550 10.5736 10.5736 10.5885 10.5885 11.4921 11.4921 11.4991 11.4991 14.2705 14.2705 14.2902 14.2902 15.0065 15.0065 15.0144 15.0144 16.3962 16.3962 16.4187 16.4187 17.9885 17.9885 18.0079 18.0079 19.2320 19.2320 k = 0.1623 0.2811 0.3113 ( 1042 PWs) bands (ev): -0.3395 -0.3395 -0.3351 -0.3351 8.6957 8.6957 8.6967 8.6967 10.6047 10.6047 10.6197 10.6197 11.4957 11.4957 11.5025 11.5025 14.2780 14.2780 14.2994 14.2994 14.9771 14.9771 14.9830 14.9830 16.4028 16.4028 16.4253 16.4253 18.0048 18.0048 18.0258 18.0258 19.2006 19.2006 k = 0.1579 0.2735 0.3113 ( 1042 PWs) bands (ev): -0.3807 -0.3807 -0.3767 -0.3767 8.7394 8.7394 8.7398 8.7398 10.6358 10.6358 10.6509 10.6509 11.4973 11.4973 11.5038 11.5038 14.2866 14.2866 14.3096 14.3096 14.9497 14.9497 14.9533 14.9533 16.4063 16.4063 16.4287 16.4287 18.0213 18.0213 18.0439 18.0439 19.1710 19.1710 k = 0.1535 0.2659 0.3113 ( 1046 PWs) bands (ev): -0.4219 -0.4219 -0.4181 -0.4181 8.7841 8.7841 8.7843 8.7843 10.6667 10.6667 10.6819 10.6819 11.4970 11.4970 11.5031 11.5031 14.2960 14.2960 14.3207 14.3207 14.9241 14.9241 14.9256 14.9256 16.4066 16.4066 16.4288 16.4288 18.0381 18.0381 18.0622 18.0622 19.1432 19.1432 k = 0.1491 0.2583 0.3113 ( 1046 PWs) bands (ev): -0.4627 -0.4627 -0.4593 -0.4593 8.8295 8.8295 8.8303 8.8303 10.6976 10.6976 10.7128 10.7128 11.4948 11.4948 11.5006 11.5006 14.3064 14.3064 14.3328 14.3328 14.8998 14.8998 14.9006 14.9006 16.4035 16.4035 16.4256 16.4256 18.0556 18.0556 18.0811 18.0811 19.1175 19.1175 k = 0.1447 0.2507 0.3113 ( 1050 PWs) bands (ev): -0.5033 -0.5033 -0.5002 -0.5002 8.8760 8.8760 8.8772 8.8772 10.7281 10.7281 10.7433 10.7433 11.4908 11.4908 11.4962 11.4962 14.3174 14.3174 14.3454 14.3454 14.8758 14.8758 14.8789 14.8789 16.3971 16.3971 16.4189 16.4189 18.0736 18.0736 18.1006 18.1006 19.0938 19.0938 k = 0.1404 0.2431 0.3113 ( 1050 PWs) bands (ev): -0.5435 -0.5435 -0.5406 -0.5406 8.9234 8.9234 8.9251 8.9251 10.7582 10.7582 10.7734 10.7734 11.4852 11.4852 11.4901 11.4901 14.3292 14.3292 14.3589 14.3589 14.8538 14.8538 14.8593 14.8593 16.3874 16.3874 16.4088 16.4088 18.0926 18.0926 18.1208 18.1208 19.0720 19.0720 k = 0.1360 0.2355 0.3113 ( 1050 PWs) bands (ev): -0.5832 -0.5832 -0.5806 -0.5806 8.9717 8.9717 8.9737 8.9737 10.7878 10.7878 10.8030 10.8030 11.4782 11.4782 11.4825 11.4825 14.3416 14.3416 14.3729 14.3729 14.8338 14.8338 14.8416 14.8416 16.3743 16.3743 16.3953 16.3953 18.1126 18.1126 18.1419 18.1419 19.0522 19.0522 k = 0.1316 0.2279 0.3113 ( 1042 PWs) bands (ev): -0.6224 -0.6224 -0.6200 -0.6200 9.0207 9.0207 9.0231 9.0231 10.8170 10.8170 10.8321 10.8321 11.4697 11.4697 11.4734 11.4734 14.3548 14.3548 14.3877 14.3877 14.8157 14.8157 14.8259 14.8259 16.3579 16.3579 16.3785 16.3785 18.1340 18.1340 18.1643 18.1643 19.0343 19.0343 k = 0.1272 0.2203 0.3113 ( 1042 PWs) bands (ev): -0.6610 -0.6610 -0.6588 -0.6588 9.0703 9.0703 9.0730 9.0730 10.8454 10.8454 10.8605 10.8605 11.4601 11.4601 11.4632 11.4632 14.3682 14.3682 14.4025 14.4025 14.7994 14.7994 14.8119 14.8119 16.3384 16.3384 16.3583 16.3583 18.1564 18.1564 18.1874 18.1874 19.0181 19.0181 k = 0.1228 0.2127 0.3113 ( 1046 PWs) bands (ev): -0.6989 -0.6989 -0.6970 -0.6970 9.1204 9.1204 9.1232 9.1232 10.8730 10.8730 10.8880 10.8880 11.4494 11.4494 11.4519 11.4519 14.3820 14.3820 14.4176 14.4176 14.7848 14.7848 14.7995 14.7995 16.3159 16.3159 16.3351 16.3351 18.1800 18.1800 18.2116 18.2116 19.0036 19.0036 k = 0.1184 0.2051 0.3113 ( 1046 PWs) bands (ev): -0.7361 -0.7361 -0.7344 -0.7344 9.1708 9.1708 9.1739 9.1739 10.8998 10.8998 10.9147 10.9147 11.4378 11.4378 11.4397 11.4397 14.3961 14.3961 14.4330 14.4330 14.7719 14.7719 14.7889 14.7889 16.2905 16.2905 16.3090 16.3090 18.2051 18.2051 18.2370 18.2370 18.9906 18.9906 k = 0.1140 0.1975 0.3113 ( 1046 PWs) bands (ev): -0.7725 -0.7725 -0.7709 -0.7709 9.2215 9.2215 9.2247 9.2247 10.9257 10.9257 10.9405 10.9405 11.4256 11.4256 11.4267 11.4267 14.4104 14.4104 14.4484 14.4484 14.7607 14.7607 14.7797 14.7797 16.2626 16.2626 16.2802 16.2802 18.2315 18.2315 18.2636 18.2636 18.9791 18.9791 k = 0.1096 0.1899 0.3113 ( 1050 PWs) bands (ev): -0.8080 -0.8080 -0.8066 -0.8066 9.2722 9.2722 9.2756 9.2756 10.9506 10.9506 10.9653 10.9653 11.4127 11.4127 11.4131 11.4131 14.4249 14.4249 14.4638 14.4638 14.7510 14.7510 14.7719 14.7719 16.2322 16.2322 16.2488 16.2488 18.2593 18.2593 18.2914 18.2914 18.9689 18.9689 k = 0.1053 0.1823 0.3113 ( 1046 PWs) bands (ev): -0.8426 -0.8426 -0.8414 -0.8414 9.3230 9.3230 9.3263 9.3263 10.9747 10.9747 10.9892 10.9892 11.3991 11.3991 11.3995 11.3995 14.4397 14.4397 14.4793 14.4793 14.7428 14.7428 14.7655 14.7655 16.2001 16.2001 16.2158 16.2158 18.2884 18.2884 18.3203 18.3203 18.9599 18.9599 k = 0.1009 0.1747 0.3113 ( 1046 PWs) bands (ev): -0.8762 -0.8762 -0.8752 -0.8752 9.3735 9.3735 9.3769 9.3769 10.9976 10.9976 11.0120 11.0120 11.3848 11.3848 11.3860 11.3860 14.4545 14.4545 14.4946 14.4946 14.7358 14.7358 14.7601 14.7601 16.1659 16.1659 16.1806 16.1806 18.3186 18.3186 18.3503 18.3503 18.9520 18.9520 k = 0.0965 0.1671 0.3113 ( 1042 PWs) bands (ev): -0.9088 -0.9088 -0.9079 -0.9079 9.4237 9.4237 9.4271 9.4271 11.0194 11.0194 11.0337 11.0337 11.3704 11.3704 11.3724 11.3724 14.4694 14.4694 14.5098 14.5098 14.7300 14.7300 14.7557 14.7557 16.1303 16.1303 16.1440 16.1440 18.3501 18.3501 18.3812 18.3812 18.9451 18.9451 k = 0.0921 0.1595 0.3113 ( 1042 PWs) bands (ev): -0.9403 -0.9403 -0.9395 -0.9395 9.4733 9.4733 9.4766 9.4766 11.0401 11.0401 11.0542 11.0542 11.3560 11.3560 11.3588 11.3588 14.4843 14.4843 14.5247 14.5247 14.7252 14.7252 14.7521 14.7521 16.0935 16.0935 16.1061 16.1061 18.3824 18.3824 18.4129 18.4129 18.9390 18.9390 k = 0.0877 0.1519 0.3113 ( 1034 PWs) bands (ev): -0.9707 -0.9707 -0.9700 -0.9700 9.5224 9.5224 9.5256 9.5256 11.0596 11.0596 11.0736 11.0736 11.3419 11.3419 11.3455 11.3455 14.4994 14.4994 14.5396 14.5396 14.7214 14.7214 14.7492 14.7492 16.0560 16.0560 16.0675 16.0675 18.4156 18.4156 18.4453 18.4453 18.9337 18.9337 k = 0.0833 0.1443 0.3113 ( 1034 PWs) bands (ev): -0.9999 -0.9999 -0.9993 -0.9993 9.5704 9.5704 9.5735 9.5735 11.0779 11.0779 11.0918 11.0918 11.3280 11.3280 11.3324 11.3324 14.5142 14.5142 14.5540 14.5540 14.7183 14.7183 14.7468 14.7468 16.0179 16.0179 16.0283 16.0283 18.4493 18.4493 18.4782 18.4782 18.9290 18.9290 k = 0.0789 0.1367 0.3113 ( 1030 PWs) bands (ev): -1.0278 -1.0278 -1.0273 -1.0273 9.6175 9.6175 9.6204 9.6204 11.0950 11.0950 11.1088 11.1088 11.3145 11.3145 11.3198 11.3198 14.5290 14.5290 14.5680 14.5680 14.7159 14.7159 14.7447 14.7447 15.9796 15.9796 15.9890 15.9890 18.4836 18.4836 18.5115 18.5115 18.9250 18.9250 k = 0.0746 0.1291 0.3113 ( 1034 PWs) bands (ev): -1.0545 -1.0545 -1.0541 -1.0541 9.6632 9.6632 9.6660 9.6660 11.1108 11.1108 11.1245 11.1245 11.3014 11.3014 11.3075 11.3075 14.5435 14.5435 14.5816 14.5816 14.7139 14.7139 14.7429 14.7429 15.9414 15.9414 15.9497 15.9497 18.5180 18.5180 18.5447 18.5447 18.9214 18.9214 k = 0.0702 0.1215 0.3113 ( 1034 PWs) bands (ev): -1.0799 -1.0799 -1.0796 -1.0796 9.7076 9.7076 9.7101 9.7101 11.1254 11.1254 11.1390 11.1390 11.2892 11.2892 11.2961 11.2961 14.5579 14.5579 14.5948 14.5948 14.7123 14.7123 14.7413 14.7413 15.9037 15.9037 15.9110 15.9110 18.5524 18.5524 18.5779 18.5779 18.9183 18.9183 k = 0.0658 0.1140 0.3113 ( 1034 PWs) bands (ev): -1.1039 -1.1039 -1.1037 -1.1037 9.7503 9.7503 9.7526 9.7526 11.1388 11.1388 11.1523 11.1523 11.2777 11.2777 11.2854 11.2854 14.5720 14.5720 14.6075 14.6075 14.7111 14.7111 14.7396 14.7396 15.8667 15.8667 15.8730 15.8730 18.5865 18.5865 18.6108 18.6108 18.9156 18.9156 k = 0.0614 0.1064 0.3113 ( 1034 PWs) bands (ev): -1.1266 -1.1266 -1.1264 -1.1264 9.7913 9.7913 9.7933 9.7933 11.1509 11.1509 11.1644 11.1644 11.2671 11.2671 11.2755 11.2755 14.5857 14.5857 14.6196 14.6196 14.7100 14.7100 14.7380 14.7380 15.8307 15.8307 15.8361 15.8361 18.6202 18.6202 18.6431 18.6431 18.9132 18.9132 k = 0.0570 0.0988 0.3113 ( 1042 PWs) bands (ev): -1.1478 -1.1478 -1.1476 -1.1476 9.8302 9.8302 9.8320 9.8320 11.1618 11.1618 11.1752 11.1752 11.2574 11.2574 11.2666 11.2666 14.5989 14.5989 14.6310 14.6310 14.7090 14.7090 14.7360 14.7360 15.7960 15.7960 15.8005 15.8005 18.6530 18.6530 18.6745 18.6745 18.9112 18.9112 k = 0.0526 0.0912 0.3113 ( 1038 PWs) bands (ev): -1.1676 -1.1676 -1.1675 -1.1675 9.8670 9.8670 9.8685 9.8685 11.1716 11.1716 11.1849 11.1849 11.2488 11.2488 11.2586 11.2586 14.6119 14.6119 14.6419 14.6419 14.7082 14.7082 14.7342 14.7342 15.7630 15.7630 15.7667 15.7667 18.6849 18.6849 18.7050 18.7050 18.9095 18.9095 k = 0.0482 0.0836 0.3113 ( 1036 PWs) bands (ev): -1.1859 -1.1859 -1.1858 -1.1858 9.9015 9.9015 9.9028 9.9028 11.1802 11.1802 11.1935 11.1935 11.2412 11.2412 11.2516 11.2516 14.6242 14.6242 14.6521 14.6521 14.7074 14.7074 14.7320 14.7320 15.7319 15.7319 15.7349 15.7349 18.7155 18.7155 18.7341 18.7341 18.9081 18.9081 k = 0.0439 0.0760 0.3113 ( 1034 PWs) bands (ev): -1.2027 -1.2027 -1.2026 -1.2026 9.9335 9.9335 9.9345 9.9345 11.1876 11.1876 11.2009 11.2009 11.2346 11.2346 11.2457 11.2457 14.6359 14.6359 14.6615 14.6615 14.7066 14.7066 14.7296 14.7296 15.7028 15.7028 15.7051 15.7051 18.7447 18.7447 18.7617 18.7617 18.9069 18.9069 k = 0.0395 0.0684 0.3113 ( 1038 PWs) bands (ev): -1.2180 -1.2180 -1.2179 -1.2179 9.9628 9.9628 9.9636 9.9636 11.1940 11.1940 11.2073 11.2073 11.2291 11.2291 11.2407 11.2407 14.6467 14.6467 14.6698 14.6698 14.7059 14.7059 14.7271 14.7271 15.6757 15.6757 15.6775 15.6775 18.7720 18.7720 18.7873 18.7873 18.9061 18.9061 k = 0.0351 0.0608 0.3113 ( 1038 PWs) bands (ev): -1.2317 -1.2317 -1.2317 -1.2317 9.9893 9.9893 9.9899 9.9899 11.1994 11.1994 11.2126 11.2126 11.2246 11.2246 11.2366 11.2366 14.6569 14.6569 14.6774 14.6774 14.7052 14.7052 14.7243 14.7243 15.6512 15.6512 15.6525 15.6525 18.7972 18.7972 18.8108 18.8108 18.9055 18.9055 k = 0.0307 0.0532 0.3113 ( 1038 PWs) bands (ev): -1.2439 -1.2439 -1.2439 -1.2439 10.0129 10.0129 10.0134 10.0134 11.2037 11.2037 11.2168 11.2168 11.2213 11.2213 11.2335 11.2335 14.6662 14.6662 14.6840 14.6840 14.7047 14.7047 14.7215 14.7215 15.6293 15.6293 15.6302 15.6302 18.8201 18.8201 18.8319 18.8319 18.9053 18.9053 k = 0.0263 0.0456 0.3113 ( 1038 PWs) bands (ev): -1.2545 -1.2545 -1.2544 -1.2544 10.0336 10.0336 10.0339 10.0339 11.2072 11.2072 11.2179 11.2179 11.2210 11.2210 11.2311 11.2311 14.6746 14.6746 14.6895 14.6895 14.7044 14.7044 14.7186 14.7186 15.6101 15.6101 15.6106 15.6106 18.8405 18.8405 18.8504 18.8504 18.9054 18.9054 k = 0.0219 0.0380 0.3113 ( 1038 PWs) bands (ev): -1.2634 -1.2634 -1.2634 -1.2634 10.0512 10.0512 10.0513 10.0513 11.2099 11.2099 11.2163 11.2163 11.2234 11.2234 11.2295 11.2295 14.6821 14.6821 14.6938 14.6938 14.7044 14.7044 14.7157 14.7157 15.5937 15.5937 15.5940 15.5940 18.8579 18.8579 18.8658 18.8658 18.9061 18.9061 k = 0.0175 0.0304 0.3113 ( 1038 PWs) bands (ev): -1.2708 -1.2708 -1.2708 -1.2708 10.0656 10.0656 10.0657 10.0657 11.2118 11.2118 11.2152 11.2152 11.2252 11.2252 11.2284 11.2284 14.6886 14.6886 14.6970 14.6970 14.7047 14.7047 14.7129 14.7129 15.5801 15.5801 15.5803 15.5803 18.8723 18.8723 18.8778 18.8778 18.9075 18.9075 k = 0.0132 0.0228 0.3113 ( 1038 PWs) bands (ev): -1.2765 -1.2765 -1.2765 -1.2765 10.0769 10.0769 10.0769 10.0769 11.2131 11.2131 11.2146 11.2146 11.2265 11.2265 11.2278 11.2278 14.6940 14.6940 14.6991 14.6991 14.7053 14.7053 14.7104 14.7104 15.5695 15.5695 15.5696 15.5696 18.8831 18.8831 18.8862 18.8862 18.9097 18.9097 k = 0.0088 0.0152 0.3113 ( 1038 PWs) bands (ev): -1.2806 -1.2806 -1.2806 -1.2806 10.0850 10.0850 10.0850 10.0850 11.2139 11.2139 11.2143 11.2143 11.2272 11.2272 11.2276 11.2276 14.6983 14.6983 14.7006 14.7006 14.7057 14.7057 14.7080 14.7080 15.5619 15.5619 15.5620 15.5620 18.8901 18.8901 18.8913 18.8913 18.9123 18.9123 k = 0.0044 0.0076 0.3113 ( 1038 PWs) bands (ev): -1.2831 -1.2831 -1.2831 -1.2831 10.0898 10.0898 10.0898 10.0898 11.2142 11.2142 11.2143 11.2143 11.2275 11.2275 11.2276 11.2276 14.7014 14.7014 14.7019 14.7019 14.7055 14.7055 14.7061 14.7061 15.5574 15.5574 15.5574 15.5574 18.8937 18.8937 18.8938 18.8938 18.9144 18.9144 k = 0.0000 0.0000 0.3113 ( 1038 PWs) bands (ev): -1.2839 -1.2839 -1.2839 -1.2839 10.0914 10.0914 10.0914 10.0914 11.2143 11.2143 11.2143 11.2143 11.2276 11.2276 11.2276 11.2276 14.7028 14.7028 14.7028 14.7028 14.7051 14.7051 14.7051 14.7051 15.5558 15.5558 15.5558 15.5558 18.8946 18.8946 18.8946 18.8946 18.9151 18.9151 k = 0.5000 0.2887 0.3113 ( 1032 PWs) bands (ev): 0.4286 0.4286 0.4286 0.4286 7.6698 7.6698 7.6698 7.6698 10.8395 10.8395 10.8395 10.8395 10.9336 10.9336 10.9336 10.9336 13.9482 13.9482 13.9482 13.9482 15.9369 15.9369 15.9369 15.9369 16.1988 16.1988 16.1988 16.1988 18.3267 18.3267 18.3267 18.3267 19.4233 19.4233 k = 0.5000 0.2887 0.3027 ( 1032 PWs) bands (ev): 0.4183 0.4183 0.4388 0.4388 7.6267 7.6267 7.7141 7.7141 10.7815 10.7815 10.8981 10.8981 10.9312 10.9312 10.9358 10.9358 13.8735 13.8735 14.0219 14.0219 15.9253 15.9253 15.9486 15.9486 16.1888 16.1888 16.2094 16.2094 18.2354 18.2354 18.4178 18.4178 19.3726 19.3726 k = 0.5000 0.2887 0.2940 ( 1032 PWs) bands (ev): 0.4078 0.4078 0.4488 0.4488 7.5849 7.5849 7.7596 7.7596 10.7246 10.7246 10.9281 10.9281 10.9359 10.9359 10.9597 10.9597 13.7980 13.7980 14.0944 14.0944 15.9138 15.9138 15.9602 15.9602 16.1794 16.1794 16.2206 16.2206 18.1439 18.1439 18.5085 18.5085 19.3213 19.3213 k = 0.5000 0.2887 0.2854 ( 1032 PWs) bands (ev): 0.3971 0.3971 0.4586 0.4586 7.5443 7.5443 7.8063 7.8063 10.6688 10.6688 10.9254 10.9254 10.9370 10.9370 11.0199 11.0199 13.7220 13.7220 14.1655 14.1655 15.9023 15.9023 15.9718 15.9718 16.1703 16.1703 16.2326 16.2326 18.0524 18.0524 18.5987 18.5987 19.2695 19.2695 k = 0.5000 0.2887 0.2767 ( 1034 PWs) bands (ev): 0.3863 0.3863 0.4681 0.4681 7.5049 7.5049 7.8543 7.8543 10.6141 10.6141 10.9224 10.9224 10.9369 10.9369 11.0815 11.0815 13.6455 13.6455 14.2348 14.2348 15.8909 15.8909 15.9834 15.9834 16.1617 16.1617 16.2454 16.2454 17.9609 17.9609 18.6884 18.6884 19.2172 19.2172 k = 0.5000 0.2887 0.2681 ( 1034 PWs) bands (ev): 0.3755 0.3755 0.4775 0.4775 7.4668 7.4668 7.9035 7.9035 10.5606 10.5606 10.9195 10.9195 10.9358 10.9358 11.1439 11.1439 13.5689 13.5689 14.3023 14.3023 15.8796 15.8796 15.9949 15.9949 16.1534 16.1534 16.2592 16.2592 17.8695 17.8695 18.7774 18.7774 19.1649 19.1649 k = 0.5000 0.2887 0.2594 ( 1034 PWs) bands (ev): 0.3646 0.3646 0.4865 0.4865 7.4298 7.4298 7.9539 7.9539 10.5084 10.5084 10.9167 10.9167 10.9335 10.9335 11.2070 11.2070 13.4923 13.4923 14.3675 14.3675 15.8684 15.8684 16.0063 16.0063 16.1454 16.1454 16.2741 16.2741 17.7784 17.7784 18.8655 18.8655 19.1125 19.1125 k = 0.5000 0.2887 0.2508 ( 1036 PWs) bands (ev): 0.3537 0.3537 0.4953 0.4953 7.3940 7.3940 8.0055 8.0055 10.4573 10.4573 10.9141 10.9141 10.9303 10.9303 11.2708 11.2708 13.4158 13.4158 14.4304 14.4304 15.8574 15.8574 16.0175 16.0175 16.1377 16.1377 16.2902 16.2902 17.6876 17.6876 18.9525 18.9525 19.0603 19.0603 k = 0.5000 0.2887 0.2421 ( 1044 PWs) bands (ev): 0.3427 0.3427 0.5038 0.5038 7.3594 7.3594 8.0582 8.0582 10.4077 10.4077 10.9115 10.9115 10.9259 10.9259 11.3349 11.3349 13.3392 13.3392 14.4906 14.4906 15.8466 15.8466 16.0284 16.0284 16.1300 16.1300 16.3075 16.3075 17.5972 17.5972 19.0064 19.0064 19.0404 19.0404 k = 0.5000 0.2887 0.2335 ( 1044 PWs) bands (ev): 0.3318 0.3318 0.5120 0.5120 7.3260 7.3260 8.1122 8.1122 10.3596 10.3596 10.9083 10.9083 10.9212 10.9212 11.3996 11.3996 13.2634 13.2634 14.5479 14.5479 15.8359 15.8359 16.0392 16.0392 16.1229 16.1229 16.3262 16.3262 17.5074 17.5074 18.9557 18.9557 19.1246 19.1246 k = 0.5000 0.2887 0.2248 ( 1044 PWs) bands (ev): 0.3209 0.3209 0.5199 0.5199 7.2937 7.2937 8.1673 8.1673 10.3128 10.3128 10.9031 10.9031 10.9175 10.9175 11.4646 11.4646 13.1882 13.1882 14.6022 14.6022 15.8255 15.8255 16.0496 16.0496 16.1160 16.1160 16.3463 16.3463 17.4183 17.4183 18.9047 18.9047 19.2084 19.2084 k = 0.5000 0.2887 0.2162 ( 1042 PWs) bands (ev): 0.3102 0.3102 0.5275 0.5275 7.2627 7.2627 8.2234 8.2234 10.2676 10.2676 10.8947 10.8947 10.9160 10.9160 11.5299 11.5299 13.1137 13.1137 14.6533 14.6533 15.8153 15.8153 16.0596 16.0596 16.1096 16.1096 16.3678 16.3678 17.3301 17.3301 18.8544 18.8544 19.2909 19.2910 k = 0.5000 0.2887 0.2075 ( 1046 PWs) bands (ev): 0.2995 0.2995 0.5348 0.5348 7.2327 7.2327 8.2807 8.2807 10.2238 10.2238 10.8835 10.8835 10.9164 10.9164 11.5952 11.5952 13.0400 13.0400 14.7011 14.7011 15.8052 15.8052 16.0686 16.0686 16.1039 16.1039 16.3908 16.3908 17.2426 17.2426 18.8048 18.8048 19.3719 19.3719 k = 0.5000 0.2887 0.1989 ( 1042 PWs) bands (ev): 0.2890 0.2890 0.5418 0.5418 7.2040 7.2040 8.3390 8.3390 10.1817 10.1817 10.8699 10.8699 10.9180 10.9180 11.6605 11.6605 12.9671 12.9671 14.7455 14.7455 15.7956 15.7956 16.0757 16.0757 16.1000 16.1000 16.4152 16.4152 17.1563 17.1563 18.7563 18.7563 19.4514 19.4514 k = 0.5000 0.2887 0.1902 ( 1038 PWs) bands (ev): 0.2787 0.2787 0.5485 0.5485 7.1764 7.1764 8.3982 8.3982 10.1411 10.1411 10.8541 10.8541 10.9210 10.9210 11.7257 11.7257 12.8953 12.8953 14.7866 14.7866 15.7862 15.7862 16.0783 16.0783 16.1004 16.1004 16.4411 16.4411 17.0712 17.0712 18.7089 18.7089 19.5290 19.5290 k = 0.5000 0.2887 0.1816 ( 1030 PWs) bands (ev): 0.2686 0.2686 0.5548 0.5548 7.1500 7.1500 8.4584 8.4584 10.1021 10.1021 10.8360 10.8360 10.9251 10.9251 11.7908 11.7908 12.8248 12.8248 14.8242 14.8242 15.7772 15.7772 16.0759 16.0759 16.1055 16.1055 16.4680 16.4680 16.9879 16.9879 18.6627 18.6627 19.6047 19.6047 k = 0.5000 0.2887 0.1730 ( 1036 PWs) bands (ev): 0.2586 0.2586 0.5608 0.5608 7.1247 7.1247 8.5194 8.5194 10.0646 10.0646 10.8157 10.8157 10.9303 10.9303 11.8552 11.8552 12.7553 12.7553 14.8582 14.8582 15.7684 15.7684 16.0711 16.0711 16.1125 16.1125 16.4958 16.4958 16.9054 16.9054 18.6177 18.6177 19.6781 19.6781 k = 0.5000 0.2887 0.1643 ( 1040 PWs) bands (ev): 0.2490 0.2490 0.5665 0.5665 7.1005 7.1005 8.5811 8.5811 10.0288 10.0288 10.7931 10.7931 10.9367 10.9367 11.9192 11.9192 12.6871 12.6871 14.8891 14.8891 15.7599 15.7599 16.0658 16.0658 16.1195 16.1195 16.5243 16.5243 16.8251 16.8251 18.5743 18.5743 19.7494 19.7494 k = 0.5000 0.2887 0.1557 ( 1040 PWs) bands (ev): 0.2396 0.2396 0.5719 0.5719 7.0775 7.0775 8.6436 8.6436 9.9947 9.9947 10.7683 10.7683 10.9444 10.9444 11.9824 11.9824 12.6203 12.6203 14.9169 14.9169 15.7518 15.7518 16.0603 16.0603 16.1263 16.1263 16.5535 16.5535 16.7469 16.7469 18.5324 18.5324 19.8182 19.8182 k = 0.5000 0.2887 0.1470 ( 1038 PWs) bands (ev): 0.2306 0.2306 0.5770 0.5770 7.0557 7.0557 8.7067 8.7067 9.9623 9.9623 10.7413 10.7413 10.9533 10.9533 12.0447 12.0447 12.5552 12.5552 14.9418 14.9418 15.7440 15.7440 16.0549 16.0549 16.1324 16.1324 16.5827 16.5827 16.6715 16.6715 18.4922 18.4922 19.8844 19.8844 k = 0.5000 0.2887 0.1384 ( 1042 PWs) bands (ev): 0.2219 0.2219 0.5817 0.5817 7.0350 7.0350 8.7703 8.7703 9.9316 9.9316 10.7120 10.7120 10.9633 10.9633 12.1057 12.1057 12.4916 12.4916 14.9638 14.9638 15.7365 15.7365 16.0497 16.0497 16.1373 16.1373 16.5939 16.5939 16.6170 16.6170 18.4537 18.4537 19.9478 19.9478 k = 0.5000 0.2887 0.1297 ( 1042 PWs) bands (ev): 0.2136 0.2136 0.5862 0.5862 7.0155 7.0155 8.8344 8.8344 9.9027 9.9027 10.6805 10.6805 10.9745 10.9745 12.1653 12.1653 12.4300 12.4300 14.9832 14.9832 15.7295 15.7295 16.0446 16.0446 16.1409 16.1409 16.5273 16.5273 16.6435 16.6435 18.4171 18.4171 20.0083 20.0083 k = 0.5000 0.2887 0.1211 ( 1042 PWs) bands (ev): 0.2057 0.2057 0.5903 0.5903 6.9972 6.9972 8.8987 8.8987 9.8755 9.8755 10.6468 10.6468 10.9869 10.9869 12.2228 12.2228 12.3706 12.3706 15.0002 15.0002 15.7228 15.7228 16.0397 16.0397 16.1425 16.1425 16.4622 16.4622 16.6723 16.6723 18.3825 18.3825 20.0655 20.0655 k = 0.5000 0.2887 0.1124 ( 1042 PWs) bands (ev): 0.1982 0.1982 0.5942 0.5942 6.9802 6.9802 8.9631 8.9631 9.8502 9.8502 10.6111 10.6111 11.0003 11.0003 12.2746 12.2746 12.3170 12.3170 15.0151 15.0151 15.7164 15.7164 16.0350 16.0350 16.1409 16.1409 16.4025 16.4025 16.7005 16.7005 18.3500 18.3500 20.1190 20.1190 k = 0.5000 0.2887 0.1038 ( 1034 PWs) bands (ev): 0.1912 0.1912 0.5977 0.5977 6.9643 6.9643 9.0276 9.0276 9.8267 9.8267 10.5735 10.5735 11.0147 11.0147 12.2525 12.2525 12.3375 12.3375 15.0280 15.0280 15.7111 15.7111 16.0309 16.0309 16.1342 16.1342 16.3505 16.3505 16.7277 16.7277 18.3195 18.3195 20.1682 20.1682 k = 0.5000 0.2887 0.0951 ( 1034 PWs) bands (ev): 0.1847 0.1847 0.6009 0.6009 6.9496 6.9496 9.0917 9.0917 9.8050 9.8050 10.5341 10.5341 11.0299 11.0299 12.2004 12.2004 12.3877 12.3877 15.0391 15.0391 15.7055 15.7055 16.0268 16.0268 16.1201 16.1201 16.3090 16.3090 16.7537 16.7537 18.2913 18.2913 20.2104 20.2104 k = 0.5000 0.2887 0.0865 ( 1034 PWs) bands (ev): 0.1786 0.1786 0.6038 0.6038 6.9362 6.9362 9.1554 9.1554 9.7851 9.7851 10.4931 10.4931 11.0457 11.0457 12.1497 12.1497 12.4361 12.4361 15.0486 15.0486 15.7004 15.7004 16.0230 16.0230 16.0968 16.0968 16.2799 16.2799 16.7783 16.7783 18.2652 18.2652 20.2407 20.2407 k = 0.5000 0.2887 0.0778 ( 1036 PWs) bands (ev): 0.1730 0.1730 0.6065 0.6065 6.9240 6.9240 9.2183 9.2183 9.7671 9.7671 10.4508 10.4508 11.0620 11.0620 12.1016 12.1016 12.4817 12.4817 15.0567 15.0567 15.6957 15.6957 16.0194 16.0194 16.0655 16.0655 16.2622 16.2622 16.8011 16.8011 18.2415 18.2415 20.2597 20.2597 k = 0.5000 0.2887 0.0692 ( 1034 PWs) bands (ev): 0.1680 0.1680 0.6088 0.6088 6.9131 6.9131 9.2801 9.2801 9.7509 9.7509 10.4076 10.4076 11.0785 11.0785 12.0565 12.0565 12.5238 12.5238 15.0635 15.0635 15.6913 15.6913 16.0162 16.0162 16.0302 16.0302 16.2527 16.2527 16.8222 16.8222 18.2202 18.2202 20.2735 20.2735 k = 0.5000 0.2887 0.0605 ( 1030 PWs) bands (ev): 0.1637 0.1637 0.6109 0.6109 6.9035 6.9035 9.3403 9.3403 9.7367 9.7367 10.3638 10.3638 11.0949 11.0949 12.0148 12.0148 12.5622 12.5622 15.0692 15.0692 15.6874 15.6874 15.9943 15.9943 16.0136 16.0136 16.2479 16.2479 16.8410 16.8410 18.2014 18.2014 20.2848 20.2848 k = 0.5000 0.2887 0.0519 ( 1030 PWs) bands (ev): 0.1598 0.1598 0.6127 0.6127 6.8951 6.8951 9.3981 9.3981 9.7243 9.7243 10.3202 10.3202 11.1107 11.1107 11.9770 11.9770 12.5963 12.5963 15.0739 15.0739 15.6839 15.6839 15.9606 15.9606 16.0111 16.0111 16.2457 16.2457 16.8576 16.8576 18.1849 18.1849 20.2942 20.2942 k = 0.5000 0.2887 0.0432 ( 1034 PWs) bands (ev): 0.1565 0.1565 0.6142 0.6142 6.8879 6.8879 9.4525 9.4525 9.7139 9.7139 10.2776 10.2776 11.1256 11.1256 11.9431 11.9431 12.6259 12.6259 15.0774 15.0774 15.6808 15.6808 15.9305 15.9305 16.0089 16.0089 16.2448 16.2448 16.8719 16.8719 18.1709 18.1709 20.3020 20.3020 k = 0.5000 0.2887 0.0346 ( 1030 PWs) bands (ev): 0.1538 0.1538 0.6154 0.6154 6.8821 6.8821 9.5025 9.5025 9.7054 9.7054 10.2374 10.2374 11.1389 11.1389 11.9146 11.9146 12.6506 12.6506 15.0804 15.0804 15.6781 15.6781 15.9049 15.9049 16.0072 16.0072 16.2446 16.2446 16.8837 16.8837 18.1596 18.1596 20.3085 20.3085 k = 0.5000 0.2887 0.0259 ( 1034 PWs) bands (ev): 0.1516 0.1516 0.6163 0.6163 6.8775 6.8775 9.5459 9.5459 9.6988 9.6988 10.2014 10.2014 11.1501 11.1501 11.8914 11.8914 12.6702 12.6702 15.0826 15.0826 15.6760 15.6760 15.8845 15.8845 16.0058 16.0058 16.2447 16.2447 16.8929 16.8929 18.1505 18.1505 20.3134 20.3134 k = 0.5000 0.2887 0.0173 ( 1030 PWs) bands (ev): 0.1501 0.1501 0.6170 0.6170 6.8743 6.8743 9.5805 9.5805 9.6942 9.6942 10.1722 10.1722 11.1587 11.1587 11.8746 11.8746 12.6844 12.6844 15.0843 15.0843 15.6744 15.6744 15.8699 15.8699 16.0049 16.0049 16.2450 16.2450 16.8996 16.8996 18.1441 18.1441 20.3169 20.3169 k = 0.5000 0.2887 0.0086 ( 1028 PWs) bands (ev): 0.1492 0.1492 0.6174 0.6174 6.8723 6.8723 9.6029 9.6029 9.6916 9.6916 10.1527 10.1527 11.1640 11.1640 11.8642 11.8642 12.6930 12.6930 15.0852 15.0852 15.6734 15.6734 15.8610 15.8610 16.0044 16.0044 16.2452 16.2452 16.9038 16.9038 18.1402 18.1402 20.3191 20.3191 k = 0.5000 0.2887-0.0000 ( 1028 PWs) bands (ev): 0.1489 0.1489 0.6176 0.6176 6.8717 6.8717 9.6108 9.6108 9.6907 9.6907 10.1459 10.1459 11.1659 11.1659 11.8606 11.8606 12.6958 12.6958 15.0855 15.0855 15.6730 15.6730 15.8580 15.8580 16.0042 16.0042 16.2452 16.2452 16.9051 16.9051 18.1389 18.1389 20.3198 20.3198 k = 0.3333 0.5774-0.0000 ( 1038 PWs) bands (ev): 0.6065 0.6065 0.6265 0.6265 8.2881 8.2881 8.3172 8.3172 8.3173 8.3173 10.3813 10.3813 10.3896 10.3896 11.9949 11.9949 13.9915 13.9915 15.4850 15.4850 15.6028 15.6028 15.6146 15.6146 15.6459 15.6459 16.7057 16.7057 18.2624 18.2624 18.3279 18.3279 18.7122 18.7122 k = 0.3333 0.5774 0.0086 ( 1038 PWs) bands (ev): 0.6065 0.6065 0.6266 0.6266 8.2880 8.2880 8.3171 8.3171 8.3188 8.3188 10.3815 10.3815 10.3897 10.3897 11.9929 11.9929 13.9925 13.9925 15.4786 15.4786 15.5744 15.5744 15.6430 15.6430 15.6522 15.6522 16.7041 16.7041 18.2560 18.2560 18.3200 18.3200 18.7211 18.7211 k = 0.3333 0.5774 0.0173 ( 1038 PWs) bands (ev): 0.6066 0.6066 0.6267 0.6267 8.2875 8.2875 8.3167 8.3167 8.3236 8.3236 10.3819 10.3819 10.3901 10.3901 11.9869 11.9869 13.9955 13.9955 15.4619 15.4619 15.5408 15.5408 15.6690 15.6690 15.6766 15.6766 16.6991 16.6991 18.2380 18.2380 18.2983 18.2983 18.7459 18.7459 k = 0.3333 0.5774 0.0259 ( 1026 PWs) bands (ev): 0.6070 0.6070 0.6270 0.6270 8.2870 8.2870 8.3163 8.3163 8.3315 8.3315 10.3827 10.3827 10.3908 10.3908 11.9770 11.9770 14.0005 14.0005 15.4388 15.4388 15.5072 15.5072 15.6923 15.6923 15.7104 15.7104 16.6906 16.6906 18.2110 18.2110 18.2671 18.2671 18.7830 18.7830 k = 0.3333 0.5774 0.0346 ( 1029 PWs) bands (ev): 0.6073 0.6073 0.6273 0.6273 8.2859 8.2859 8.3154 8.3154 8.3424 8.3424 10.3836 10.3836 10.3917 10.3917 11.9631 11.9631 14.0073 14.0073 15.4122 15.4122 15.4733 15.4733 15.7190 15.7190 15.7442 15.7442 16.6791 16.6791 18.1772 18.1772 18.2294 18.2294 18.8278 18.8278 k = 0.3333 0.5774 0.0432 ( 1029 PWs) bands (ev): 0.6076 0.6076 0.6277 0.6277 8.2846 8.2846 8.3142 8.3142 8.3565 8.3565 10.3849 10.3849 10.3928 10.3928 11.9453 11.9453 14.0163 14.0163 15.3836 15.3836 15.4396 15.4396 15.7478 15.7478 15.7780 15.7780 16.6644 16.6644 18.1390 18.1390 18.1882 18.1882 18.8781 18.8781 k = 0.3333 0.5774 0.0519 ( 1029 PWs) bands (ev): 0.6081 0.6081 0.6281 0.6281 8.2829 8.2829 8.3128 8.3128 8.3737 8.3737 10.3865 10.3865 10.3942 10.3942 11.9237 11.9237 14.0273 14.0273 15.3540 15.3540 15.4059 15.4059 15.7779 15.7779 15.8120 15.8120 16.6465 16.6465 18.0980 18.0980 18.1450 18.1450 18.9322 18.9322 k = 0.3333 0.5774 0.0605 ( 1029 PWs) bands (ev): 0.6086 0.6086 0.6287 0.6287 8.2810 8.2810 8.3111 8.3111 8.3941 8.3941 10.3883 10.3883 10.3958 10.3958 11.8983 11.8983 14.0403 14.0403 15.3237 15.3237 15.3722 15.3722 15.8088 15.8088 15.8461 15.8461 16.6255 16.6255 18.0553 18.0553 18.1008 18.1008 18.9890 18.9890 k = 0.3333 0.5774 0.0692 ( 1029 PWs) bands (ev): 0.6092 0.6092 0.6293 0.6293 8.2789 8.2789 8.3092 8.3092 8.4174 8.4174 10.3904 10.3904 10.3977 10.3977 11.8691 11.8691 14.0552 14.0552 15.2929 15.2929 15.3387 15.3387 15.8404 15.8404 15.8802 15.8802 16.6015 16.6015 18.0116 18.0116 18.0562 18.0562 19.0479 19.0479 k = 0.3333 0.5774 0.0778 ( 1029 PWs) bands (ev): 0.6099 0.6099 0.6299 0.6299 8.2765 8.2765 8.3071 8.3071 8.4438 8.4438 10.3928 10.3928 10.3998 10.3998 11.8364 11.8364 14.0721 14.0721 15.2620 15.2620 15.3053 15.3053 15.8725 15.8725 15.9145 15.9145 16.5745 16.5745 17.9675 17.9675 18.0115 18.0115 19.1082 19.1082 k = 0.3333 0.5774 0.0865 ( 1032 PWs) bands (ev): 0.6106 0.6106 0.6306 0.6306 8.2738 8.2738 8.3047 8.3047 8.4731 8.4731 10.3953 10.3953 10.4021 10.4021 11.8001 11.8001 14.0909 14.0909 15.2310 15.2310 15.2721 15.2721 15.9050 15.9050 15.9489 15.9489 16.5445 16.5445 17.9231 17.9231 17.9670 17.9670 19.1697 19.1697 k = 0.3333 0.5774 0.0951 ( 1032 PWs) bands (ev): 0.6114 0.6114 0.6314 0.6314 8.2710 8.2710 8.3022 8.3022 8.5054 8.5054 10.3982 10.3982 10.4046 10.4046 11.7603 11.7603 14.1117 14.1117 15.2000 15.2000 15.2392 15.2392 15.9379 15.9379 15.9835 15.9835 16.5119 16.5119 17.8789 17.8789 17.9229 17.9229 19.2320 19.2320 k = 0.3333 0.5774 0.1038 ( 1026 PWs) bands (ev): 0.6122 0.6122 0.6323 0.6323 8.2680 8.2680 8.2996 8.2996 8.5408 8.5408 10.4013 10.4013 10.4075 10.4075 11.7173 11.7173 14.1348 14.1348 15.1693 15.1693 15.2067 15.2067 15.9712 15.9712 16.0184 16.0184 16.4766 16.4766 17.8348 17.8348 17.8791 17.8791 19.2949 19.2949 k = 0.3333 0.5774 0.1124 ( 1026 PWs) bands (ev): 0.6131 0.6131 0.6331 0.6331 8.2648 8.2648 8.2967 8.2967 8.5787 8.5787 10.4046 10.4046 10.4104 10.4104 11.6710 11.6710 14.1593 14.1593 15.1387 15.1387 15.1745 15.1745 16.0047 16.0047 16.0533 16.0533 16.4387 16.4387 17.7911 17.7911 17.8358 17.8358 19.3580 19.3580 k = 0.3333 0.5774 0.1211 ( 1020 PWs) bands (ev): 0.6141 0.6141 0.6341 0.6341 8.2615 8.2615 8.2938 8.2938 8.6195 8.6195 10.4081 10.4081 10.4136 10.4136 11.6217 11.6217 14.1858 14.1858 15.1087 15.1087 15.1430 15.1430 16.0387 16.0387 16.0886 16.0886 16.3984 16.3984 17.7477 17.7477 17.7929 17.7929 19.4213 19.4213 k = 0.3333 0.5774 0.1297 ( 1020 PWs) bands (ev): 0.6150 0.6150 0.6350 0.6350 8.2581 8.2581 8.2907 8.2907 8.6630 8.6630 10.4117 10.4117 10.4169 10.4169 11.5694 11.5694 14.2141 14.2141 15.0789 15.0789 15.1118 15.1118 16.0729 16.0729 16.1239 16.1239 16.3558 16.3558 17.7047 17.7047 17.7505 17.7505 19.4843 19.4843 k = 0.3333 0.5774 0.1384 ( 1026 PWs) bands (ev): 0.6159 0.6159 0.6359 0.6359 8.2544 8.2544 8.2875 8.2875 8.7091 8.7091 10.4154 10.4154 10.4203 10.4203 11.5143 11.5143 14.2442 14.2442 15.0496 15.0496 15.0813 15.0813 16.1074 16.1074 16.1595 16.1595 16.3110 16.3110 17.6618 17.6618 17.7083 17.7083 19.5469 19.5469 k = 0.3333 0.5774 0.1470 ( 1029 PWs) bands (ev): 0.6169 0.6169 0.6369 0.6369 8.2508 8.2508 8.2842 8.2842 8.7577 8.7577 10.4193 10.4193 10.4238 10.4238 11.4565 11.4565 14.2761 14.2761 15.0209 15.0209 15.0515 15.0515 16.1421 16.1421 16.1951 16.1951 16.2639 16.2639 17.6196 17.6196 17.6668 17.6668 19.6089 19.6089 k = 0.3333 0.5774 0.1557 ( 1029 PWs) bands (ev): 0.6179 0.6179 0.6379 0.6379 8.2472 8.2472 8.2810 8.2810 8.8089 8.8089 10.4233 10.4233 10.4275 10.4275 11.3962 11.3962 14.3097 14.3097 14.9930 14.9930 15.0225 15.0225 16.1771 16.1771 16.2146 16.2146 16.2317 16.2317 17.5778 17.5778 17.6256 17.6256 19.6700 19.6700 k = 0.3333 0.5774 0.1643 ( 1023 PWs) bands (ev): 0.6189 0.6189 0.6389 0.6389 8.2436 8.2436 8.2778 8.2778 8.8626 8.8626 10.4274 10.4274 10.4312 10.4312 11.3335 11.3335 14.3451 14.3451 14.9660 14.9660 14.9946 14.9946 16.1645 16.1645 16.2126 16.2126 16.2676 16.2676 17.5365 17.5365 17.5849 17.5849 19.7300 19.7300 k = 0.3333 0.5774 0.1730 ( 1026 PWs) bands (ev): 0.6199 0.6199 0.6399 0.6399 8.2400 8.2400 8.2746 8.2746 8.9185 8.9185 10.4314 10.4314 10.4349 10.4349 11.2685 11.2685 14.3818 14.3818 14.9396 14.9396 14.9674 14.9674 16.1126 16.1126 16.2480 16.2480 16.3038 16.3038 17.4955 17.4955 17.5446 17.5446 19.7886 19.7886 k = 0.3333 0.5774 0.1816 ( 1026 PWs) bands (ev): 0.6209 0.6209 0.6409 0.6409 8.2364 8.2364 8.2713 8.2713 8.9767 8.9767 10.4355 10.4355 10.4387 10.4387 11.2015 11.2015 14.4204 14.4204 14.9144 14.9144 14.9415 14.9415 16.0591 16.0591 16.2838 16.2838 16.3403 16.3403 17.4548 17.4548 17.5046 17.5046 19.8455 19.8455 k = 0.3333 0.5774 0.1902 ( 1026 PWs) bands (ev): 0.6218 0.6218 0.6418 0.6418 8.2329 8.2329 8.2682 8.2682 9.0371 9.0371 10.4395 10.4395 10.4424 10.4424 11.1326 11.1326 14.4606 14.4606 14.8902 14.8902 14.9169 14.9169 16.0043 16.0043 16.3197 16.3197 16.3769 16.3769 17.4145 17.4145 17.4648 17.4648 19.9005 19.9005 k = 0.3333 0.5774 0.1989 ( 1038 PWs) bands (ev): 0.6227 0.6227 0.6427 0.6427 8.2293 8.2293 8.2649 8.2649 9.0996 9.0996 10.4434 10.4434 10.4461 10.4461 11.0618 11.0618 14.5021 14.5021 14.8672 14.8672 14.8937 14.8937 15.9483 15.9483 16.3555 16.3555 16.4134 16.4134 17.3743 17.3743 17.4251 17.4251 19.9532 19.9533 k = 0.3333 0.5774 0.2075 ( 1038 PWs) bands (ev): 0.6236 0.6236 0.6435 0.6435 8.2260 8.2260 8.2619 8.2619 9.1640 9.1640 10.4473 10.4473 10.4496 10.4496 10.9895 10.9895 14.5451 14.5451 14.8456 14.8456 14.8721 14.8721 15.8914 15.8914 16.3917 16.3917 16.4503 16.4503 17.3347 17.3347 17.3860 17.3860 20.0036 20.0036 k = 0.3333 0.5774 0.2162 ( 1038 PWs) bands (ev): 0.6244 0.6244 0.6444 0.6444 8.2228 8.2228 8.2591 8.2591 9.2304 9.2304 10.4509 10.4509 10.4531 10.4531 10.9157 10.9157 14.5890 14.5890 14.8253 14.8253 14.8524 14.8524 15.8335 15.8335 16.4281 16.4281 16.4872 16.4872 17.2953 17.2953 17.3471 17.3471 20.0512 20.0512 k = 0.3333 0.5774 0.2248 ( 1038 PWs) bands (ev): 0.6252 0.6252 0.6452 0.6452 8.2198 8.2198 8.2564 8.2564 9.2985 9.2985 10.4544 10.4544 10.4564 10.4564 10.8407 10.8407 14.6336 14.6336 14.8064 14.8064 14.8350 14.8350 15.7750 15.7750 16.4645 16.4645 16.5243 16.5243 17.2564 17.2564 17.3085 17.3085 20.0958 20.0958 k = 0.3333 0.5774 0.2335 ( 1038 PWs) bands (ev): 0.6260 0.6260 0.6459 0.6459 8.2171 8.2171 8.2539 8.2539 9.3682 9.3682 10.4576 10.4576 10.4595 10.4595 10.7645 10.7645 14.6777 14.6777 14.7891 14.7891 14.8212 14.8212 15.7159 15.7159 16.5009 16.5009 16.5613 16.5613 17.2178 17.2178 17.2701 17.2701 20.1372 20.1372 k = 0.3333 0.5774 0.2421 ( 1038 PWs) bands (ev): 0.6266 0.6266 0.6466 0.6466 8.2145 8.2145 8.2516 8.2516 9.4396 9.4396 10.4605 10.4605 10.4623 10.4623 10.6875 10.6875 14.7175 14.7175 14.7734 14.7734 14.8146 14.8146 15.6564 15.6564 16.5372 16.5372 16.5982 16.5982 17.1796 17.1796 17.2320 17.2320 20.1750 20.1750 k = 0.3333 0.5774 0.2508 ( 1038 PWs) bands (ev): 0.6272 0.6272 0.6472 0.6472 8.2122 8.2122 8.2495 8.2495 9.5123 9.5123 10.4628 10.4628 10.4649 10.4649 10.6099 10.6099 14.7426 14.7426 14.7593 14.7593 14.8258 14.8258 15.5966 15.5966 16.5733 16.5733 16.6350 16.6350 17.1419 17.1419 17.1944 17.1944 20.2090 20.2090 k = 0.3333 0.5774 0.2594 ( 1032 PWs) bands (ev): 0.6278 0.6278 0.6477 0.6477 8.2102 8.2102 8.2477 8.2477 9.5864 9.5864 10.4637 10.4637 10.4673 10.4673 10.5328 10.5328 14.7471 14.7471 14.7471 14.7471 14.8606 14.8606 15.5368 15.5368 16.6091 16.6091 16.6715 16.6715 17.1049 17.1049 17.1573 17.1573 20.2390 20.2390 k = 0.3333 0.5774 0.2681 ( 1038 PWs) bands (ev): 0.6282 0.6282 0.6482 0.6482 8.2084 8.2084 8.2461 8.2461 9.6616 9.6616 10.4427 10.4427 10.4693 10.4693 10.4765 10.4765 14.7366 14.7366 14.7427 14.7427 14.9073 14.9073 15.4762 15.4762 16.6442 16.6442 16.7075 16.7075 17.0687 17.0687 17.1207 17.1207 20.2648 20.2648 k = 0.3333 0.5774 0.2767 ( 1038 PWs) bands (ev): 0.6286 0.6286 0.6485 0.6485 8.2070 8.2070 8.2447 8.2447 9.7379 9.7379 10.3687 10.3687 10.4710 10.4710 10.4727 10.4727 14.7280 14.7280 14.7367 14.7367 14.9585 14.9585 15.4164 15.4164 16.6782 16.6782 16.7426 16.7426 17.0339 17.0339 17.0852 17.0852 20.2861 20.2861 k = 0.3333 0.5774 0.2854 ( 1038 PWs) bands (ev): 0.6289 0.6289 0.6488 0.6488 8.2058 8.2058 8.2437 8.2437 9.8151 9.8151 10.2897 10.2897 10.4723 10.4723 10.4733 10.4733 14.7212 14.7212 14.7313 14.7313 15.0120 15.0120 15.3568 15.3568 16.7102 16.7102 16.7760 16.7760 17.0013 17.0013 17.0514 17.0514 20.3029 20.3029 k = 0.3333 0.5774 0.2940 ( 1038 PWs) bands (ev): 0.6291 0.6291 0.6491 0.6491 8.2050 8.2050 8.2430 8.2430 9.8931 9.8931 10.2101 10.2101 10.4732 10.4732 10.4740 10.4740 14.7163 14.7163 14.7271 14.7271 15.0671 15.0671 15.2976 15.2976 16.7384 16.7384 16.8062 16.8062 16.9726 16.9726 17.0210 17.0210 20.3149 20.3149 k = 0.3333 0.5774 0.3027 ( 1038 PWs) bands (ev): 0.6293 0.6293 0.6492 0.6492 8.2045 8.2045 8.2425 8.2425 9.9717 9.9717 10.1305 10.1305 10.4738 10.4738 10.4745 10.4745 14.7134 14.7134 14.7246 14.7246 15.1234 15.1234 15.2390 15.2390 16.7593 16.7593 16.8293 16.8293 16.9515 16.9515 16.9977 16.9977 20.3222 20.3222 k = 0.3333 0.5774 0.3113 ( 1038 PWs) bands (ev): 0.6293 0.6293 0.6492 0.6492 8.2044 8.2044 8.2424 8.2424 10.0471 10.0471 10.0548 10.0548 10.4740 10.4740 10.4747 10.4747 14.7124 14.7124 14.7237 14.7237 15.1771 15.1771 15.1846 15.1846 16.7673 16.7673 16.8386 16.8386 16.9433 16.9433 16.9884 16.9884 20.3247 20.3247 Writing output data file FeN.save init_run : 0.48s CPU 0.81s WALL ( 1 calls) electrons : 71.75s CPU 73.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 71.74s CPU 73.69s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 477 calls) cegterg : 64.14s CPU 65.59s WALL ( 613 calls) Called by sum_band: Called by *egterg: h_psi : 30.23s CPU 31.15s WALL ( 9904 calls) s_psi : 2.35s CPU 2.37s WALL ( 9904 calls) g_psi : 0.05s CPU 0.05s WALL ( 8814 calls) cdiaghg : 31.98s CPU 32.62s WALL ( 9291 calls) cegterg:over : 1.93s CPU 1.88s WALL ( 8814 calls) cegterg:upda : 1.21s CPU 1.23s WALL ( 8814 calls) cegterg:last : 0.77s CPU 0.69s WALL ( 1567 calls) cdiaghg:chol : 1.66s CPU 1.61s WALL ( 9291 calls) cdiaghg:inve : 0.65s CPU 0.67s WALL ( 9291 calls) cdiaghg:para : 2.03s CPU 2.04s WALL ( 18582 calls) Called by h_psi: h_psi:vloc : 26.05s CPU 26.75s WALL ( 9904 calls) h_psi:vnl : 4.15s CPU 4.36s WALL ( 9904 calls) add_vuspsi : 2.21s CPU 2.27s WALL ( 9904 calls) General routines calbec : 1.91s CPU 2.07s WALL ( 9904 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.58s CPU 25.27s WALL ( 680068 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.16s WALL ( 954 calls) Parallel routines fft_scatter : 12.32s CPU 12.87s WALL ( 680091 calls) PWSCF : 1m21.55s CPU 1m37.30s WALL This run was terminated on: 18:12:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=