Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:40 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: ./Tl.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 17 14 4 537 422 70 Max 18 15 5 547 437 77 Sum 613 517 163 19487 15417 2623 bravais-lattice index = 14 lattice parameter (alat) = 6.4969 a.u. unit-cell volume = 378.4085 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.496878 celldm(2)= 1.000000 celldm(3)= 1.593368 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 1.593368 ) 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 0.627601 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 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 ) ( -0.7966841 ) 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 ) ( 0.7966841 ) 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 ) ( -0.7966841 ) 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 ) ( -0.7966841 ) 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 ) ( 0.7966841 ) 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 ) ( 0.7966841 ) 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 ) ( 0.7966841 ) 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 ) ( -0.7966841 ) 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 ) ( 0.7966841 ) 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 ) ( 0.7966841 ) 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 ) ( -0.7966841 ) 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 ) ( -0.7966841 ) 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= 386 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0025907 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0025907 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0025907 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0025907 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0025907 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0025907 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0025907 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0025907 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0025907 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0025907 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0025907 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0025907 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0025907 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0025907 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0025907 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0025907 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0025907 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0025907 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0025907 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0025907 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0025907 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0025907 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0025907 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0025907 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0025907 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0025907 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0025907 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0025907 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0025907 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0025907 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0025907 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0025907 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0025907 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0025907 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0025907 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0025907 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0025907 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0025907 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0025907 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0025907 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0025907 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0025907 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0025907 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0025907 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0025907 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0025907 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0025907 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0025907 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0025907 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0025907 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0025907 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0025907 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025907 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025907 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0025907 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0025907 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0025907 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0025907 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0025907 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0025907 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0025907 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0025907 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0025907 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0025907 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0025907 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0025907 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0025907 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0025907 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0025907 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0025907 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0025907 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0025907 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0025907 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0025907 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0025907 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0025907 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0025907 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0025907 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0025907 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0025907 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0025907 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0025907 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0025907 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0025907 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025907 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025907 k( 88) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0025907 k( 89) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0025907 k( 90) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0025907 k( 91) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0025907 k( 92) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0025907 k( 93) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0025907 k( 94) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0025907 k( 95) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0025907 k( 96) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0025907 k( 97) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0025907 k( 98) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0025907 k( 99) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0025907 k( 100) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0025907 k( 101) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0025907 k( 102) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0025907 k( 103) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0025907 k( 104) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0025907 k( 105) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0025907 k( 106) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0025907 k( 107) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0025907 k( 108) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0025907 k( 109) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0025907 k( 110) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0025907 k( 111) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0025907 k( 112) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0025907 k( 113) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0025907 k( 114) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0025907 k( 115) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0025907 k( 116) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0025907 k( 117) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0025907 k( 118) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0025907 k( 119) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0025907 k( 120) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0025907 k( 121) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0025907 k( 122) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0025907 k( 123) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0025907 k( 124) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0025907 k( 125) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0025907 k( 126) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0025907 k( 127) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0025907 k( 128) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0025907 k( 129) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0025907 k( 130) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0025907 k( 131) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0025907 k( 132) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0025907 k( 133) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0025907 k( 134) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0025907 k( 135) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0025907 k( 136) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0025907 k( 137) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0025907 k( 138) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0025907 k( 139) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0025907 k( 140) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0025907 k( 141) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0025907 k( 142) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0025907 k( 143) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0025907 k( 144) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0025907 k( 145) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0025907 k( 146) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0025907 k( 147) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0025907 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 150) = ( 0.0000000 0.0000000 0.0108207), wk = 0.0025907 k( 151) = ( 0.0000000 0.0000000 0.0216414), wk = 0.0025907 k( 152) = ( 0.0000000 0.0000000 0.0324621), wk = 0.0025907 k( 153) = ( 0.0000000 0.0000000 0.0432829), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.0541036), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.0649243), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.0757450), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.0865657), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.0973864), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.1082071), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.1190278), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.1298485), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.1406693), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.1514900), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.1623107), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.1731314), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.1839521), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.1947728), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.2055935), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.2164142), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.2272350), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.2380557), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.2488764), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.2596971), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.2705178), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.2813385), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.2921592), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.3029799), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.3138007), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.3138007), wk = 0.0025907 k( 180) = ( 0.0094340 0.0054467 0.3138007), wk = 0.0025907 k( 181) = ( 0.0188679 0.0108934 0.3138007), wk = 0.0025907 k( 182) = ( 0.0283019 0.0163401 0.3138007), wk = 0.0025907 k( 183) = ( 0.0377359 0.0217868 0.3138007), wk = 0.0025907 k( 184) = ( 0.0471698 0.0272335 0.3138007), wk = 0.0025907 k( 185) = ( 0.0566038 0.0326802 0.3138007), wk = 0.0025907 k( 186) = ( 0.0660377 0.0381269 0.3138007), wk = 0.0025907 k( 187) = ( 0.0754717 0.0435736 0.3138007), wk = 0.0025907 k( 188) = ( 0.0849057 0.0490203 0.3138007), wk = 0.0025907 k( 189) = ( 0.0943396 0.0544670 0.3138007), wk = 0.0025907 k( 190) = ( 0.1037736 0.0599137 0.3138007), wk = 0.0025907 k( 191) = ( 0.1132076 0.0653604 0.3138007), wk = 0.0025907 k( 192) = ( 0.1226415 0.0708071 0.3138007), wk = 0.0025907 k( 193) = ( 0.1320755 0.0762538 0.3138007), wk = 0.0025907 k( 194) = ( 0.1415094 0.0817005 0.3138007), wk = 0.0025907 k( 195) = ( 0.1509434 0.0871472 0.3138007), wk = 0.0025907 k( 196) = ( 0.1603774 0.0925939 0.3138007), wk = 0.0025907 k( 197) = ( 0.1698113 0.0980406 0.3138007), wk = 0.0025907 k( 198) = ( 0.1792453 0.1034873 0.3138007), wk = 0.0025907 k( 199) = ( 0.1886792 0.1089340 0.3138007), wk = 0.0025907 k( 200) = ( 0.1981132 0.1143807 0.3138007), wk = 0.0025907 k( 201) = ( 0.2075472 0.1198274 0.3138007), wk = 0.0025907 k( 202) = ( 0.2169811 0.1252741 0.3138007), wk = 0.0025907 k( 203) = ( 0.2264151 0.1307208 0.3138007), wk = 0.0025907 k( 204) = ( 0.2358491 0.1361675 0.3138007), wk = 0.0025907 k( 205) = ( 0.2452830 0.1416142 0.3138007), wk = 0.0025907 k( 206) = ( 0.2547170 0.1470609 0.3138007), wk = 0.0025907 k( 207) = ( 0.2641509 0.1525076 0.3138007), wk = 0.0025907 k( 208) = ( 0.2735849 0.1579543 0.3138007), wk = 0.0025907 k( 209) = ( 0.2830189 0.1634010 0.3138007), wk = 0.0025907 k( 210) = ( 0.2924528 0.1688477 0.3138007), wk = 0.0025907 k( 211) = ( 0.3018868 0.1742944 0.3138007), wk = 0.0025907 k( 212) = ( 0.3113207 0.1797411 0.3138007), wk = 0.0025907 k( 213) = ( 0.3207547 0.1851878 0.3138007), wk = 0.0025907 k( 214) = ( 0.3301887 0.1906345 0.3138007), wk = 0.0025907 k( 215) = ( 0.3396226 0.1960812 0.3138007), wk = 0.0025907 k( 216) = ( 0.3490566 0.2015279 0.3138007), wk = 0.0025907 k( 217) = ( 0.3584906 0.2069746 0.3138007), wk = 0.0025907 k( 218) = ( 0.3679245 0.2124213 0.3138007), wk = 0.0025907 k( 219) = ( 0.3773585 0.2178680 0.3138007), wk = 0.0025907 k( 220) = ( 0.3867925 0.2233147 0.3138007), wk = 0.0025907 k( 221) = ( 0.3962264 0.2287614 0.3138007), wk = 0.0025907 k( 222) = ( 0.4056604 0.2342081 0.3138007), wk = 0.0025907 k( 223) = ( 0.4150943 0.2396548 0.3138007), wk = 0.0025907 k( 224) = ( 0.4245283 0.2451015 0.3138007), wk = 0.0025907 k( 225) = ( 0.4339623 0.2505482 0.3138007), wk = 0.0025907 k( 226) = ( 0.4433962 0.2559949 0.3138007), wk = 0.0025907 k( 227) = ( 0.4528302 0.2614416 0.3138007), wk = 0.0025907 k( 228) = ( 0.4622641 0.2668883 0.3138007), wk = 0.0025907 k( 229) = ( 0.4716981 0.2723350 0.3138007), wk = 0.0025907 k( 230) = ( 0.4811321 0.2777817 0.3138007), wk = 0.0025907 k( 231) = ( 0.4905660 0.2832284 0.3138007), wk = 0.0025907 k( 232) = ( 0.5000000 0.2886751 0.3138007), wk = 0.0025907 k( 233) = ( 0.5000000 0.2886751 0.3138007), wk = 0.0025907 k( 234) = ( 0.4946237 0.2979872 0.3138007), wk = 0.0025907 k( 235) = ( 0.4892473 0.3072993 0.3138007), wk = 0.0025907 k( 236) = ( 0.4838710 0.3166114 0.3138007), wk = 0.0025907 k( 237) = ( 0.4784946 0.3259235 0.3138007), wk = 0.0025907 k( 238) = ( 0.4731183 0.3352356 0.3138007), wk = 0.0025907 k( 239) = ( 0.4677419 0.3445477 0.3138007), wk = 0.0025907 k( 240) = ( 0.4623656 0.3538598 0.3138007), wk = 0.0025907 k( 241) = ( 0.4569893 0.3631720 0.3138007), wk = 0.0025907 k( 242) = ( 0.4516129 0.3724840 0.3138007), wk = 0.0025907 k( 243) = ( 0.4462366 0.3817961 0.3138007), wk = 0.0025907 k( 244) = ( 0.4408602 0.3911082 0.3138007), wk = 0.0025907 k( 245) = ( 0.4354839 0.4004203 0.3138007), wk = 0.0025907 k( 246) = ( 0.4301075 0.4097325 0.3138007), wk = 0.0025907 k( 247) = ( 0.4247312 0.4190445 0.3138007), wk = 0.0025907 k( 248) = ( 0.4193548 0.4283566 0.3138007), wk = 0.0025907 k( 249) = ( 0.4139785 0.4376687 0.3138007), wk = 0.0025907 k( 250) = ( 0.4086021 0.4469809 0.3138007), wk = 0.0025907 k( 251) = ( 0.4032258 0.4562930 0.3138007), wk = 0.0025907 k( 252) = ( 0.3978495 0.4656051 0.3138007), wk = 0.0025907 k( 253) = ( 0.3924731 0.4749172 0.3138007), wk = 0.0025907 k( 254) = ( 0.3870968 0.4842293 0.3138007), wk = 0.0025907 k( 255) = ( 0.3817204 0.4935414 0.3138007), wk = 0.0025907 k( 256) = ( 0.3763441 0.5028535 0.3138007), wk = 0.0025907 k( 257) = ( 0.3709677 0.5121656 0.3138007), wk = 0.0025907 k( 258) = ( 0.3655914 0.5214777 0.3138007), wk = 0.0025907 k( 259) = ( 0.3602150 0.5307898 0.3138007), wk = 0.0025907 k( 260) = ( 0.3548387 0.5401019 0.3138007), wk = 0.0025907 k( 261) = ( 0.3494624 0.5494140 0.3138007), wk = 0.0025907 k( 262) = ( 0.3440860 0.5587261 0.3138007), wk = 0.0025907 k( 263) = ( 0.3387097 0.5680382 0.3138007), wk = 0.0025907 k( 264) = ( 0.3333333 0.5773503 0.3138007), wk = 0.0025907 k( 265) = ( 0.3333333 0.5773503 0.3138007), wk = 0.0025907 k( 266) = ( 0.3278688 0.5678855 0.3138007), wk = 0.0025907 k( 267) = ( 0.3224044 0.5584207 0.3138007), wk = 0.0025907 k( 268) = ( 0.3169399 0.5489560 0.3138007), wk = 0.0025907 k( 269) = ( 0.3114754 0.5394912 0.3138007), wk = 0.0025907 k( 270) = ( 0.3060109 0.5300265 0.3138007), wk = 0.0025907 k( 271) = ( 0.3005465 0.5205617 0.3138007), wk = 0.0025907 k( 272) = ( 0.2950820 0.5110970 0.3138007), wk = 0.0025907 k( 273) = ( 0.2896175 0.5016322 0.3138007), wk = 0.0025907 k( 274) = ( 0.2841530 0.4921675 0.3138007), wk = 0.0025907 k( 275) = ( 0.2786885 0.4827027 0.3138007), wk = 0.0025907 k( 276) = ( 0.2732240 0.4732379 0.3138007), wk = 0.0025907 k( 277) = ( 0.2677596 0.4637732 0.3138007), wk = 0.0025907 k( 278) = ( 0.2622951 0.4543084 0.3138007), wk = 0.0025907 k( 279) = ( 0.2568306 0.4448436 0.3138007), wk = 0.0025907 k( 280) = ( 0.2513661 0.4353789 0.3138007), wk = 0.0025907 k( 281) = ( 0.2459016 0.4259141 0.3138007), wk = 0.0025907 k( 282) = ( 0.2404372 0.4164494 0.3138007), wk = 0.0025907 k( 283) = ( 0.2349727 0.4069846 0.3138007), wk = 0.0025907 k( 284) = ( 0.2295082 0.3975199 0.3138007), wk = 0.0025907 k( 285) = ( 0.2240437 0.3880551 0.3138007), wk = 0.0025907 k( 286) = ( 0.2185792 0.3785903 0.3138007), wk = 0.0025907 k( 287) = ( 0.2131147 0.3691256 0.3138007), wk = 0.0025907 k( 288) = ( 0.2076503 0.3596608 0.3138007), wk = 0.0025907 k( 289) = ( 0.2021858 0.3501961 0.3138007), wk = 0.0025907 k( 290) = ( 0.1967213 0.3407313 0.3138007), wk = 0.0025907 k( 291) = ( 0.1912568 0.3312665 0.3138007), wk = 0.0025907 k( 292) = ( 0.1857923 0.3218018 0.3138007), wk = 0.0025907 k( 293) = ( 0.1803279 0.3123370 0.3138007), wk = 0.0025907 k( 294) = ( 0.1748634 0.3028723 0.3138007), wk = 0.0025907 k( 295) = ( 0.1693989 0.2934075 0.3138007), wk = 0.0025907 k( 296) = ( 0.1639344 0.2839428 0.3138007), wk = 0.0025907 k( 297) = ( 0.1584699 0.2744780 0.3138007), wk = 0.0025907 k( 298) = ( 0.1530055 0.2650132 0.3138007), wk = 0.0025907 k( 299) = ( 0.1475410 0.2555485 0.3138007), wk = 0.0025907 k( 300) = ( 0.1420765 0.2460837 0.3138007), wk = 0.0025907 k( 301) = ( 0.1366120 0.2366190 0.3138007), wk = 0.0025907 k( 302) = ( 0.1311475 0.2271542 0.3138007), wk = 0.0025907 k( 303) = ( 0.1256831 0.2176894 0.3138007), wk = 0.0025907 k( 304) = ( 0.1202186 0.2082247 0.3138007), wk = 0.0025907 k( 305) = ( 0.1147541 0.1987599 0.3138007), wk = 0.0025907 k( 306) = ( 0.1092896 0.1892952 0.3138007), wk = 0.0025907 k( 307) = ( 0.1038251 0.1798304 0.3138007), wk = 0.0025907 k( 308) = ( 0.0983607 0.1703657 0.3138007), wk = 0.0025907 k( 309) = ( 0.0928962 0.1609009 0.3138007), wk = 0.0025907 k( 310) = ( 0.0874317 0.1514361 0.3138007), wk = 0.0025907 k( 311) = ( 0.0819672 0.1419714 0.3138007), wk = 0.0025907 k( 312) = ( 0.0765027 0.1325066 0.3138007), wk = 0.0025907 k( 313) = ( 0.0710382 0.1230419 0.3138007), wk = 0.0025907 k( 314) = ( 0.0655738 0.1135771 0.3138007), wk = 0.0025907 k( 315) = ( 0.0601093 0.1041123 0.3138007), wk = 0.0025907 k( 316) = ( 0.0546448 0.0946476 0.3138007), wk = 0.0025907 k( 317) = ( 0.0491803 0.0851828 0.3138007), wk = 0.0025907 k( 318) = ( 0.0437159 0.0757181 0.3138007), wk = 0.0025907 k( 319) = ( 0.0382514 0.0662533 0.3138007), wk = 0.0025907 k( 320) = ( 0.0327869 0.0567886 0.3138007), wk = 0.0025907 k( 321) = ( 0.0273224 0.0473238 0.3138007), wk = 0.0025907 k( 322) = ( 0.0218579 0.0378590 0.3138007), wk = 0.0025907 k( 323) = ( 0.0163934 0.0283943 0.3138007), wk = 0.0025907 k( 324) = ( 0.0109290 0.0189295 0.3138007), wk = 0.0025907 k( 325) = ( 0.0054645 0.0094648 0.3138007), wk = 0.0025907 k( 326) = ( 0.0000000 0.0000000 0.3138007), wk = 0.0025907 k( 327) = ( 0.5000000 0.2886751 0.3138007), wk = 0.0025907 k( 328) = ( 0.5000000 0.2886751 0.3029799), wk = 0.0025907 k( 329) = ( 0.5000000 0.2886751 0.2921592), wk = 0.0025907 k( 330) = ( 0.5000000 0.2886751 0.2813385), wk = 0.0025907 k( 331) = ( 0.5000000 0.2886751 0.2705178), wk = 0.0025907 k( 332) = ( 0.5000000 0.2886751 0.2596971), wk = 0.0025907 k( 333) = ( 0.5000000 0.2886751 0.2488764), wk = 0.0025907 k( 334) = ( 0.5000000 0.2886751 0.2380557), wk = 0.0025907 k( 335) = ( 0.5000000 0.2886751 0.2272350), wk = 0.0025907 k( 336) = ( 0.5000000 0.2886751 0.2164142), wk = 0.0025907 k( 337) = ( 0.5000000 0.2886751 0.2055935), wk = 0.0025907 k( 338) = ( 0.5000000 0.2886751 0.1947728), wk = 0.0025907 k( 339) = ( 0.5000000 0.2886751 0.1839521), wk = 0.0025907 k( 340) = ( 0.5000000 0.2886751 0.1731314), wk = 0.0025907 k( 341) = ( 0.5000000 0.2886751 0.1623107), wk = 0.0025907 k( 342) = ( 0.5000000 0.2886751 0.1514900), wk = 0.0025907 k( 343) = ( 0.5000000 0.2886751 0.1406693), wk = 0.0025907 k( 344) = ( 0.5000000 0.2886751 0.1298485), wk = 0.0025907 k( 345) = ( 0.5000000 0.2886751 0.1190278), wk = 0.0025907 k( 346) = ( 0.5000000 0.2886751 0.1082071), wk = 0.0025907 k( 347) = ( 0.5000000 0.2886751 0.0973864), wk = 0.0025907 k( 348) = ( 0.5000000 0.2886751 0.0865657), wk = 0.0025907 k( 349) = ( 0.5000000 0.2886751 0.0757450), wk = 0.0025907 k( 350) = ( 0.5000000 0.2886751 0.0649243), wk = 0.0025907 k( 351) = ( 0.5000000 0.2886751 0.0541036), wk = 0.0025907 k( 352) = ( 0.5000000 0.2886751 0.0432829), wk = 0.0025907 k( 353) = ( 0.5000000 0.2886751 0.0324621), wk = 0.0025907 k( 354) = ( 0.5000000 0.2886751 0.0216414), wk = 0.0025907 k( 355) = ( 0.5000000 0.2886751 0.0108207), wk = 0.0025907 k( 356) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025907 k( 357) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025907 k( 358) = ( 0.3333333 0.5773503 0.0108207), wk = 0.0025907 k( 359) = ( 0.3333333 0.5773503 0.0216414), wk = 0.0025907 k( 360) = ( 0.3333333 0.5773503 0.0324621), wk = 0.0025907 k( 361) = ( 0.3333333 0.5773503 0.0432829), wk = 0.0025907 k( 362) = ( 0.3333333 0.5773503 0.0541036), wk = 0.0025907 k( 363) = ( 0.3333333 0.5773503 0.0649243), wk = 0.0025907 k( 364) = ( 0.3333333 0.5773503 0.0757450), wk = 0.0025907 k( 365) = ( 0.3333333 0.5773503 0.0865657), wk = 0.0025907 k( 366) = ( 0.3333333 0.5773503 0.0973864), wk = 0.0025907 k( 367) = ( 0.3333333 0.5773503 0.1082071), wk = 0.0025907 k( 368) = ( 0.3333333 0.5773503 0.1190278), wk = 0.0025907 k( 369) = ( 0.3333333 0.5773503 0.1298485), wk = 0.0025907 k( 370) = ( 0.3333333 0.5773503 0.1406693), wk = 0.0025907 k( 371) = ( 0.3333333 0.5773503 0.1514900), wk = 0.0025907 k( 372) = ( 0.3333333 0.5773503 0.1623107), wk = 0.0025907 k( 373) = ( 0.3333333 0.5773503 0.1731314), wk = 0.0025907 k( 374) = ( 0.3333333 0.5773503 0.1839521), wk = 0.0025907 k( 375) = ( 0.3333333 0.5773503 0.1947728), wk = 0.0025907 k( 376) = ( 0.3333333 0.5773503 0.2055935), wk = 0.0025907 k( 377) = ( 0.3333333 0.5773503 0.2164142), wk = 0.0025907 k( 378) = ( 0.3333333 0.5773503 0.2272350), wk = 0.0025907 k( 379) = ( 0.3333333 0.5773503 0.2380557), wk = 0.0025907 k( 380) = ( 0.3333333 0.5773503 0.2488764), wk = 0.0025907 k( 381) = ( 0.3333333 0.5773503 0.2596971), wk = 0.0025907 k( 382) = ( 0.3333333 0.5773503 0.2705178), wk = 0.0025907 k( 383) = ( 0.3333333 0.5773503 0.2813385), wk = 0.0025907 k( 384) = ( 0.3333333 0.5773503 0.2921592), wk = 0.0025907 k( 385) = ( 0.3333333 0.5773503 0.3029799), wk = 0.0025907 k( 386) = ( 0.3333333 0.5773503 0.3138007), wk = 0.0025907 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0094340 0.0000000 -0.0000000), wk = 0.0025907 k( 3) = ( 0.0188679 0.0000000 -0.0000000), wk = 0.0025907 k( 4) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0025907 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0025907 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0025907 k( 7) = ( 0.0566038 0.0000000 -0.0000000), wk = 0.0025907 k( 8) = ( 0.0660377 0.0000000 -0.0000000), wk = 0.0025907 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0025907 k( 10) = ( 0.0849057 0.0000000 -0.0000000), wk = 0.0025907 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0025907 k( 12) = ( 0.1037736 0.0000000 -0.0000000), wk = 0.0025907 k( 13) = ( 0.1132076 -0.0000000 -0.0000000), wk = 0.0025907 k( 14) = ( 0.1226415 0.0000000 -0.0000000), wk = 0.0025907 k( 15) = ( 0.1320755 0.0000000 -0.0000000), wk = 0.0025907 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0025907 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0025907 k( 18) = ( 0.1603774 0.0000000 -0.0000000), wk = 0.0025907 k( 19) = ( 0.1698113 0.0000000 -0.0000000), wk = 0.0025907 k( 20) = ( 0.1792453 0.0000000 -0.0000000), wk = 0.0025907 k( 21) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0025907 k( 22) = ( 0.1981132 0.0000000 -0.0000000), wk = 0.0025907 k( 23) = ( 0.2075472 0.0000000 -0.0000000), wk = 0.0025907 k( 24) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0025907 k( 25) = ( 0.2264151 0.0000000 -0.0000000), wk = 0.0025907 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0025907 k( 27) = ( 0.2452830 0.0000000 -0.0000000), wk = 0.0025907 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0025907 k( 29) = ( 0.2641509 0.0000000 -0.0000000), wk = 0.0025907 k( 30) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0025907 k( 31) = ( 0.2830189 0.0000000 -0.0000000), wk = 0.0025907 k( 32) = ( 0.2924528 0.0000000 -0.0000000), wk = 0.0025907 k( 33) = ( 0.3018868 0.0000000 -0.0000000), wk = 0.0025907 k( 34) = ( 0.3113207 0.0000000 -0.0000000), wk = 0.0025907 k( 35) = ( 0.3207547 0.0000000 -0.0000000), wk = 0.0025907 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0025907 k( 37) = ( 0.3396226 0.0000000 -0.0000000), wk = 0.0025907 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0025907 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0025907 k( 40) = ( 0.3679245 0.0000000 -0.0000000), wk = 0.0025907 k( 41) = ( 0.3773585 0.0000000 -0.0000000), wk = 0.0025907 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0025907 k( 43) = ( 0.3962264 0.0000000 -0.0000000), wk = 0.0025907 k( 44) = ( 0.4056604 0.0000000 -0.0000000), wk = 0.0025907 k( 45) = ( 0.4150943 0.0000000 -0.0000000), wk = 0.0025907 k( 46) = ( 0.4245283 0.0000000 -0.0000000), wk = 0.0025907 k( 47) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0025907 k( 48) = ( 0.4433962 0.0000000 -0.0000000), wk = 0.0025907 k( 49) = ( 0.4528302 0.0000000 -0.0000000), wk = 0.0025907 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0025907 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0025907 k( 52) = ( 0.4811321 0.0000000 -0.0000000), wk = 0.0025907 k( 53) = ( 0.4905660 0.0000000 -0.0000000), wk = 0.0025907 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025907 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025907 k( 56) = ( 0.4946237 0.0107527 -0.0000000), wk = 0.0025907 k( 57) = ( 0.4892473 0.0215054 -0.0000000), wk = 0.0025907 k( 58) = ( 0.4838710 0.0322581 -0.0000000), wk = 0.0025907 k( 59) = ( 0.4784946 0.0430108 -0.0000000), wk = 0.0025907 k( 60) = ( 0.4731183 0.0537634 -0.0000000), wk = 0.0025907 k( 61) = ( 0.4677419 0.0645161 -0.0000000), wk = 0.0025907 k( 62) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0025907 k( 63) = ( 0.4569893 0.0860215 -0.0000000), wk = 0.0025907 k( 64) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0025907 k( 65) = ( 0.4462366 0.1075269 -0.0000000), wk = 0.0025907 k( 66) = ( 0.4408602 0.1182796 -0.0000000), wk = 0.0025907 k( 67) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0025907 k( 68) = ( 0.4301075 0.1397850 0.0000000), wk = 0.0025907 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0025907 k( 70) = ( 0.4193548 0.1612903 -0.0000000), wk = 0.0025907 k( 71) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0025907 k( 72) = ( 0.4086021 0.1827957 -0.0000000), wk = 0.0025907 k( 73) = ( 0.4032258 0.1935484 -0.0000000), wk = 0.0025907 k( 74) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0025907 k( 75) = ( 0.3924731 0.2150538 0.0000000), wk = 0.0025907 k( 76) = ( 0.3870968 0.2258064 -0.0000000), wk = 0.0025907 k( 77) = ( 0.3817204 0.2365591 -0.0000000), wk = 0.0025907 k( 78) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0025907 k( 79) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0025907 k( 80) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0025907 k( 81) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0025907 k( 82) = ( 0.3548387 0.2903226 -0.0000000), wk = 0.0025907 k( 83) = ( 0.3494624 0.3010753 0.0000000), wk = 0.0025907 k( 84) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0025907 k( 85) = ( 0.3387097 0.3225807 -0.0000000), wk = 0.0025907 k( 86) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025907 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025907 k( 88) = ( 0.3278688 0.3278689 -0.0000000), wk = 0.0025907 k( 89) = ( 0.3224044 0.3224044 0.0000000), wk = 0.0025907 k( 90) = ( 0.3169399 0.3169399 -0.0000000), wk = 0.0025907 k( 91) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0025907 k( 92) = ( 0.3060109 0.3060109 0.0000000), wk = 0.0025907 k( 93) = ( 0.3005465 0.3005465 0.0000000), wk = 0.0025907 k( 94) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0025907 k( 95) = ( 0.2896175 0.2896175 -0.0000000), wk = 0.0025907 k( 96) = ( 0.2841530 0.2841530 -0.0000000), wk = 0.0025907 k( 97) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0025907 k( 98) = ( 0.2732240 0.2732240 -0.0000000), wk = 0.0025907 k( 99) = ( 0.2677596 0.2677596 0.0000000), wk = 0.0025907 k( 100) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0025907 k( 101) = ( 0.2568306 0.2568306 -0.0000000), wk = 0.0025907 k( 102) = ( 0.2513661 0.2513661 -0.0000000), wk = 0.0025907 k( 103) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0025907 k( 104) = ( 0.2404372 0.2404372 -0.0000000), wk = 0.0025907 k( 105) = ( 0.2349727 0.2349727 -0.0000000), wk = 0.0025907 k( 106) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0025907 k( 107) = ( 0.2240437 0.2240437 -0.0000000), wk = 0.0025907 k( 108) = ( 0.2185792 0.2185792 0.0000000), wk = 0.0025907 k( 109) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0025907 k( 110) = ( 0.2076503 0.2076503 -0.0000000), wk = 0.0025907 k( 111) = ( 0.2021858 0.2021858 -0.0000000), wk = 0.0025907 k( 112) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0025907 k( 113) = ( 0.1912568 0.1912568 -0.0000000), wk = 0.0025907 k( 114) = ( 0.1857923 0.1857923 -0.0000000), wk = 0.0025907 k( 115) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0025907 k( 116) = ( 0.1748634 0.1748634 -0.0000000), wk = 0.0025907 k( 117) = ( 0.1693989 0.1693989 0.0000000), wk = 0.0025907 k( 118) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0025907 k( 119) = ( 0.1584699 0.1584700 -0.0000000), wk = 0.0025907 k( 120) = ( 0.1530055 0.1530055 -0.0000000), wk = 0.0025907 k( 121) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0025907 k( 122) = ( 0.1420765 0.1420765 0.0000000), wk = 0.0025907 k( 123) = ( 0.1366120 0.1366120 -0.0000000), wk = 0.0025907 k( 124) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0025907 k( 125) = ( 0.1256831 0.1256831 -0.0000000), wk = 0.0025907 k( 126) = ( 0.1202186 0.1202186 -0.0000000), wk = 0.0025907 k( 127) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0025907 k( 128) = ( 0.1092896 0.1092896 0.0000000), wk = 0.0025907 k( 129) = ( 0.1038251 0.1038251 -0.0000000), wk = 0.0025907 k( 130) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0025907 k( 131) = ( 0.0928962 0.0928962 0.0000000), wk = 0.0025907 k( 132) = ( 0.0874317 0.0874317 0.0000000), wk = 0.0025907 k( 133) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0025907 k( 134) = ( 0.0765027 0.0765027 -0.0000000), wk = 0.0025907 k( 135) = ( 0.0710382 0.0710383 0.0000000), wk = 0.0025907 k( 136) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0025907 k( 137) = ( 0.0601093 0.0601093 -0.0000000), wk = 0.0025907 k( 138) = ( 0.0546448 0.0546448 0.0000000), wk = 0.0025907 k( 139) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0025907 k( 140) = ( 0.0437159 0.0437159 -0.0000000), wk = 0.0025907 k( 141) = ( 0.0382514 0.0382514 0.0000000), wk = 0.0025907 k( 142) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0025907 k( 143) = ( 0.0273224 0.0273224 0.0000000), wk = 0.0025907 k( 144) = ( 0.0218579 0.0218579 -0.0000000), wk = 0.0025907 k( 145) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0025907 k( 146) = ( 0.0109290 0.0109290 -0.0000000), wk = 0.0025907 k( 147) = ( 0.0054645 0.0054645 -0.0000000), wk = 0.0025907 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 150) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0025907 k( 151) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0025907 k( 152) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0025907 k( 153) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 180) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0025907 k( 181) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0025907 k( 182) = ( 0.0283019 -0.0000000 0.5000000), wk = 0.0025907 k( 183) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0025907 k( 184) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0025907 k( 185) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0025907 k( 186) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0025907 k( 187) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0025907 k( 188) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0025907 k( 189) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0025907 k( 190) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0025907 k( 191) = ( 0.1132076 -0.0000000 0.5000000), wk = 0.0025907 k( 192) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0025907 k( 193) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0025907 k( 194) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0025907 k( 195) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0025907 k( 196) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0025907 k( 197) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0025907 k( 198) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0025907 k( 199) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0025907 k( 200) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0025907 k( 201) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0025907 k( 202) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0025907 k( 203) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0025907 k( 204) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0025907 k( 205) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0025907 k( 206) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0025907 k( 207) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0025907 k( 208) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0025907 k( 209) = ( 0.2830189 0.0000000 0.5000000), wk = 0.0025907 k( 210) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0025907 k( 211) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0025907 k( 212) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0025907 k( 213) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0025907 k( 214) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0025907 k( 215) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0025907 k( 216) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0025907 k( 217) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0025907 k( 218) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0025907 k( 219) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0025907 k( 220) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0025907 k( 221) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0025907 k( 222) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0025907 k( 223) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0025907 k( 224) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0025907 k( 225) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0025907 k( 226) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0025907 k( 227) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0025907 k( 228) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0025907 k( 229) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0025907 k( 230) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0025907 k( 231) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0025907 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 234) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0025907 k( 235) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0025907 k( 236) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0025907 k( 237) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0025907 k( 238) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0025907 k( 239) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0025907 k( 240) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0025907 k( 241) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0025907 k( 242) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0025907 k( 243) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0025907 k( 244) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0025907 k( 245) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0025907 k( 246) = ( 0.4301075 0.1397850 0.5000000), wk = 0.0025907 k( 247) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0025907 k( 248) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0025907 k( 249) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0025907 k( 250) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0025907 k( 251) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0025907 k( 252) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0025907 k( 253) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0025907 k( 254) = ( 0.3870968 0.2258064 0.5000000), wk = 0.0025907 k( 255) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0025907 k( 256) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0025907 k( 257) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0025907 k( 258) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0025907 k( 259) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0025907 k( 260) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0025907 k( 261) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0025907 k( 262) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0025907 k( 263) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0025907 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025907 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025907 k( 266) = ( 0.3278688 0.3278689 0.5000000), wk = 0.0025907 k( 267) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0025907 k( 268) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0025907 k( 269) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0025907 k( 270) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0025907 k( 271) = ( 0.3005465 0.3005465 0.5000000), wk = 0.0025907 k( 272) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0025907 k( 273) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0025907 k( 274) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0025907 k( 275) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0025907 k( 276) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0025907 k( 277) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0025907 k( 278) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0025907 k( 279) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0025907 k( 280) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0025907 k( 281) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0025907 k( 282) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0025907 k( 283) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0025907 k( 284) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0025907 k( 285) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0025907 k( 286) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0025907 k( 287) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0025907 k( 288) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0025907 k( 289) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0025907 k( 290) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0025907 k( 291) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0025907 k( 292) = ( 0.1857923 0.1857923 0.5000000), wk = 0.0025907 k( 293) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0025907 k( 294) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0025907 k( 295) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0025907 k( 296) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0025907 k( 297) = ( 0.1584699 0.1584700 0.5000000), wk = 0.0025907 k( 298) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0025907 k( 299) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0025907 k( 300) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0025907 k( 301) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0025907 k( 302) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0025907 k( 303) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0025907 k( 304) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0025907 k( 305) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0025907 k( 306) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0025907 k( 307) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0025907 k( 308) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0025907 k( 309) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0025907 k( 310) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0025907 k( 311) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0025907 k( 312) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0025907 k( 313) = ( 0.0710382 0.0710383 0.5000000), wk = 0.0025907 k( 314) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0025907 k( 315) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0025907 k( 316) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0025907 k( 317) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0025907 k( 318) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0025907 k( 319) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0025907 k( 320) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0025907 k( 321) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0025907 k( 322) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0025907 k( 323) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0025907 k( 324) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0025907 k( 325) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0025907 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025907 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 328) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0025907 k( 329) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0025907 k( 330) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0025907 k( 331) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0025907 k( 332) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0025907 k( 333) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0025907 k( 334) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0025907 k( 335) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0025907 k( 336) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0025907 k( 337) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0025907 k( 338) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0025907 k( 339) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0025907 k( 340) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0025907 k( 341) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0025907 k( 342) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0025907 k( 343) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0025907 k( 344) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0025907 k( 345) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0025907 k( 346) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0025907 k( 347) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0025907 k( 348) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0025907 k( 349) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0025907 k( 350) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0025907 k( 351) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0025907 k( 352) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0025907 k( 353) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0025907 k( 354) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0025907 k( 355) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0025907 k( 356) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025907 k( 357) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025907 k( 358) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0025907 k( 359) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0025907 k( 360) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0025907 k( 361) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0025907 k( 362) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0025907 k( 363) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0025907 k( 364) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0025907 k( 365) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0025907 k( 366) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0025907 k( 367) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0025907 k( 368) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0025907 k( 369) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0025907 k( 370) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0025907 k( 371) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0025907 k( 372) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0025907 k( 373) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0025907 k( 374) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0025907 k( 375) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0025907 k( 376) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0025907 k( 377) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0025907 k( 378) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0025907 k( 379) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0025907 k( 380) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0025907 k( 381) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0025907 k( 382) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0025907 k( 383) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0025907 k( 384) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0025907 k( 385) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0025907 k( 386) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025907 Dense grid: 19487 G-vectors FFT dimensions: ( 32, 32, 48) Smooth grid: 15417 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 106, 34) NL pseudopotentials 0.05 Mb ( 53, 68) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.00 Mb ( 545) G-vector shells 0.00 Mb ( 281) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 106, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 68, 2, 34) The potential is recalculated from file : ./Tl.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.2 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.0 secs Computing kpt #: 24 total cpu time spent up to now is 7.2 secs Computing kpt #: 25 total cpu time spent up to now is 7.3 secs Computing kpt #: 26 total cpu time spent up to now is 7.5 secs Computing kpt #: 27 total cpu time spent up to now is 7.6 secs Computing kpt #: 28 total cpu time spent up to now is 7.8 secs Computing kpt #: 29 total cpu time spent up to now is 7.9 secs Computing kpt #: 30 total cpu time spent up to now is 8.1 secs Computing kpt #: 31 total cpu time spent up to now is 8.3 secs Computing kpt #: 32 total cpu time spent up to now is 8.4 secs Computing kpt #: 33 total cpu time spent up to now is 8.6 secs Computing kpt #: 34 total cpu time spent up to now is 8.7 secs Computing kpt #: 35 total cpu time spent up to now is 8.9 secs Computing kpt #: 36 total cpu time spent up to now is 9.0 secs Computing kpt #: 37 total cpu time spent up to now is 9.1 secs Computing kpt #: 38 total cpu time spent up to now is 9.3 secs Computing kpt #: 39 total cpu time spent up to now is 9.4 secs Computing kpt #: 40 total cpu time spent up to now is 9.6 secs Computing kpt #: 41 total cpu time spent up to now is 9.7 secs Computing kpt #: 42 total cpu time spent up to now is 9.8 secs Computing kpt #: 43 total cpu time spent up to now is 10.0 secs Computing kpt #: 44 total cpu time spent up to now is 10.1 secs Computing kpt #: 45 total cpu time spent up to now is 10.2 secs Computing kpt #: 46 total cpu time spent up to now is 10.4 secs Computing kpt #: 47 total cpu time spent up to now is 10.5 secs Computing kpt #: 48 total cpu time spent up to now is 10.6 secs Computing kpt #: 49 total cpu time spent up to now is 10.7 secs Computing kpt #: 50 total cpu time spent up to now is 10.9 secs Computing kpt #: 51 total cpu time spent up to now is 11.0 secs Computing kpt #: 52 total cpu time spent up to now is 11.1 secs Computing kpt #: 53 total cpu time spent up to now is 11.2 secs Computing kpt #: 54 total cpu time spent up to now is 11.4 secs Computing kpt #: 55 total cpu time spent up to now is 11.5 secs Computing kpt #: 56 total cpu time spent up to now is 11.6 secs Computing kpt #: 57 total cpu time spent up to now is 11.7 secs Computing kpt #: 58 total cpu time spent up to now is 11.9 secs Computing kpt #: 59 total cpu time spent up to now is 12.0 secs Computing kpt #: 60 total cpu time spent up to now is 12.1 secs Computing kpt #: 61 total cpu time spent up to now is 12.3 secs Computing kpt #: 62 total cpu time spent up to now is 12.4 secs Computing kpt #: 63 total cpu time spent up to now is 12.5 secs Computing kpt #: 64 total cpu time spent up to now is 12.6 secs Computing kpt #: 65 total cpu time spent up to now is 12.8 secs Computing kpt #: 66 total cpu time spent up to now is 12.9 secs Computing kpt #: 67 total cpu time spent up to now is 13.0 secs Computing kpt #: 68 total cpu time spent up to now is 13.2 secs Computing kpt #: 69 total cpu time spent up to now is 13.3 secs Computing kpt #: 70 total cpu time spent up to now is 13.4 secs Computing kpt #: 71 total cpu time spent up to now is 13.6 secs Computing kpt #: 72 total cpu time spent up to now is 13.7 secs Computing kpt #: 73 total cpu time spent up to now is 13.9 secs Computing kpt #: 74 total cpu time spent up to now is 14.0 secs Computing kpt #: 75 total cpu time spent up to now is 14.2 secs Computing kpt #: 76 total cpu time spent up to now is 14.3 secs Computing kpt #: 77 total cpu time spent up to now is 14.4 secs Computing kpt #: 78 total cpu time spent up to now is 14.5 secs Computing kpt #: 79 total cpu time spent up to now is 14.7 secs Computing kpt #: 80 total cpu time spent up to now is 14.8 secs Computing kpt #: 81 total cpu time spent up to now is 14.9 secs Computing kpt #: 82 total cpu time spent up to now is 15.0 secs Computing kpt #: 83 total cpu time spent up to now is 15.2 secs Computing kpt #: 84 total cpu time spent up to now is 15.3 secs Computing kpt #: 85 total cpu time spent up to now is 15.4 secs Computing kpt #: 86 total cpu time spent up to now is 15.5 secs Computing kpt #: 87 total cpu time spent up to now is 15.7 secs Computing kpt #: 88 total cpu time spent up to now is 15.8 secs Computing kpt #: 89 total cpu time spent up to now is 15.9 secs Computing kpt #: 90 total cpu time spent up to now is 16.0 secs Computing kpt #: 91 total cpu time spent up to now is 16.1 secs Computing kpt #: 92 total cpu time spent up to now is 16.3 secs Computing kpt #: 93 total cpu time spent up to now is 16.4 secs Computing kpt #: 94 total cpu time spent up to now is 16.5 secs Computing kpt #: 95 total cpu time spent up to now is 16.6 secs Computing kpt #: 96 total cpu time spent up to now is 16.8 secs Computing kpt #: 97 total cpu time spent up to now is 16.9 secs Computing kpt #: 98 total cpu time spent up to now is 17.0 secs Computing kpt #: 99 total cpu time spent up to now is 17.1 secs Computing kpt #: 100 total cpu time spent up to now is 17.3 secs Computing kpt #: 101 total cpu time spent up to now is 17.4 secs Computing kpt #: 102 total cpu time spent up to now is 17.5 secs Computing kpt #: 103 total cpu time spent up to now is 17.6 secs Computing kpt #: 104 total cpu time spent up to now is 17.8 secs Computing kpt #: 105 total cpu time spent up to now is 17.9 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 18.1 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 18.4 secs Computing kpt #: 110 total cpu time spent up to now is 18.5 secs Computing kpt #: 111 total cpu time spent up to now is 18.7 secs Computing kpt #: 112 total cpu time spent up to now is 18.8 secs Computing kpt #: 113 total cpu time spent up to now is 18.9 secs Computing kpt #: 114 total cpu time spent up to now is 19.1 secs Computing kpt #: 115 total cpu time spent up to now is 19.2 secs Computing kpt #: 116 total cpu time spent up to now is 19.3 secs Computing kpt #: 117 total cpu time spent up to now is 19.5 secs Computing kpt #: 118 total cpu time spent up to now is 19.6 secs Computing kpt #: 119 total cpu time spent up to now is 19.7 secs Computing kpt #: 120 total cpu time spent up to now is 19.9 secs Computing kpt #: 121 total cpu time spent up to now is 20.0 secs Computing kpt #: 122 total cpu time spent up to now is 20.2 secs Computing kpt #: 123 total cpu time spent up to now is 20.3 secs Computing kpt #: 124 total cpu time spent up to now is 20.4 secs Computing kpt #: 125 total cpu time spent up to now is 20.6 secs Computing kpt #: 126 total cpu time spent up to now is 20.7 secs Computing kpt #: 127 total cpu time spent up to now is 20.9 secs Computing kpt #: 128 total cpu time spent up to now is 21.0 secs Computing kpt #: 129 total cpu time spent up to now is 21.2 secs Computing kpt #: 130 total cpu time spent up to now is 21.3 secs Computing kpt #: 131 total cpu time spent up to now is 21.5 secs Computing kpt #: 132 total cpu time spent up to now is 21.6 secs Computing kpt #: 133 total cpu time spent up to now is 21.8 secs Computing kpt #: 134 total cpu time spent up to now is 22.0 secs Computing kpt #: 135 total cpu time spent up to now is 22.1 secs Computing kpt #: 136 total cpu time spent up to now is 22.3 secs Computing kpt #: 137 total cpu time spent up to now is 22.4 secs Computing kpt #: 138 total cpu time spent up to now is 22.6 secs Computing kpt #: 139 total cpu time spent up to now is 22.8 secs Computing kpt #: 140 total cpu time spent up to now is 22.9 secs Computing kpt #: 141 total cpu time spent up to now is 23.1 secs Computing kpt #: 142 total cpu time spent up to now is 23.3 secs Computing kpt #: 143 total cpu time spent up to now is 23.5 secs Computing kpt #: 144 total cpu time spent up to now is 23.7 secs Computing kpt #: 145 total cpu time spent up to now is 23.9 secs Computing kpt #: 146 total cpu time spent up to now is 24.1 secs Computing kpt #: 147 total cpu time spent up to now is 24.3 secs Computing kpt #: 148 total cpu time spent up to now is 24.5 secs Computing kpt #: 149 total cpu time spent up to now is 24.8 secs Computing kpt #: 150 total cpu time spent up to now is 25.0 secs Computing kpt #: 151 total cpu time spent up to now is 25.2 secs Computing kpt #: 152 total cpu time spent up to now is 25.4 secs Computing kpt #: 153 total cpu time spent up to now is 25.7 secs Computing kpt #: 154 total cpu time spent up to now is 25.9 secs Computing kpt #: 155 total cpu time spent up to now is 26.1 secs Computing kpt #: 156 total cpu time spent up to now is 26.4 secs Computing kpt #: 157 total cpu time spent up to now is 26.6 secs Computing kpt #: 158 total cpu time spent up to now is 26.8 secs Computing kpt #: 159 total cpu time spent up to now is 27.0 secs Computing kpt #: 160 total cpu time spent up to now is 27.2 secs Computing kpt #: 161 total cpu time spent up to now is 27.4 secs Computing kpt #: 162 total cpu time spent up to now is 27.5 secs Computing kpt #: 163 total cpu time spent up to now is 27.7 secs Computing kpt #: 164 total cpu time spent up to now is 27.9 secs Computing kpt #: 165 total cpu time spent up to now is 28.0 secs Computing kpt #: 166 total cpu time spent up to now is 28.2 secs Computing kpt #: 167 total cpu time spent up to now is 28.3 secs Computing kpt #: 168 total cpu time spent up to now is 28.5 secs Computing kpt #: 169 total cpu time spent up to now is 28.6 secs Computing kpt #: 170 total cpu time spent up to now is 28.8 secs Computing kpt #: 171 total cpu time spent up to now is 28.9 secs Computing kpt #: 172 total cpu time spent up to now is 29.1 secs Computing kpt #: 173 total cpu time spent up to now is 29.3 secs Computing kpt #: 174 total cpu time spent up to now is 29.4 secs Computing kpt #: 175 total cpu time spent up to now is 29.6 secs Computing kpt #: 176 total cpu time spent up to now is 29.7 secs Computing kpt #: 177 total cpu time spent up to now is 29.9 secs Computing kpt #: 178 total cpu time spent up to now is 30.0 secs Computing kpt #: 179 total cpu time spent up to now is 30.2 secs Computing kpt #: 180 total cpu time spent up to now is 30.4 secs Computing kpt #: 181 total cpu time spent up to now is 30.5 secs Computing kpt #: 182 total cpu time spent up to now is 30.7 secs Computing kpt #: 183 total cpu time spent up to now is 30.8 secs Computing kpt #: 184 total cpu time spent up to now is 31.0 secs Computing kpt #: 185 total cpu time spent up to now is 31.2 secs Computing kpt #: 186 total cpu time spent up to now is 31.3 secs Computing kpt #: 187 total cpu time spent up to now is 31.5 secs Computing kpt #: 188 total cpu time spent up to now is 31.7 secs Computing kpt #: 189 total cpu time spent up to now is 31.8 secs Computing kpt #: 190 total cpu time spent up to now is 32.0 secs Computing kpt #: 191 total cpu time spent up to now is 32.1 secs Computing kpt #: 192 total cpu time spent up to now is 32.3 secs Computing kpt #: 193 total cpu time spent up to now is 32.5 secs Computing kpt #: 194 total cpu time spent up to now is 32.6 secs Computing kpt #: 195 total cpu time spent up to now is 32.8 secs Computing kpt #: 196 total cpu time spent up to now is 32.9 secs Computing kpt #: 197 total cpu time spent up to now is 33.1 secs Computing kpt #: 198 total cpu time spent up to now is 33.2 secs Computing kpt #: 199 total cpu time spent up to now is 33.4 secs Computing kpt #: 200 total cpu time spent up to now is 33.5 secs Computing kpt #: 201 total cpu time spent up to now is 33.7 secs Computing kpt #: 202 total cpu time spent up to now is 33.8 secs Computing kpt #: 203 total cpu time spent up to now is 34.0 secs Computing kpt #: 204 total cpu time spent up to now is 34.1 secs Computing kpt #: 205 total cpu time spent up to now is 34.3 secs Computing kpt #: 206 total cpu time spent up to now is 34.5 secs Computing kpt #: 207 total cpu time spent up to now is 34.6 secs Computing kpt #: 208 total cpu time spent up to now is 34.7 secs Computing kpt #: 209 total cpu time spent up to now is 34.9 secs Computing kpt #: 210 total cpu time spent up to now is 35.0 secs Computing kpt #: 211 total cpu time spent up to now is 35.2 secs Computing kpt #: 212 total cpu time spent up to now is 35.3 secs Computing kpt #: 213 total cpu time spent up to now is 35.5 secs Computing kpt #: 214 total cpu time spent up to now is 35.6 secs Computing kpt #: 215 total cpu time spent up to now is 35.8 secs Computing kpt #: 216 total cpu time spent up to now is 35.9 secs Computing kpt #: 217 total cpu time spent up to now is 36.0 secs Computing kpt #: 218 total cpu time spent up to now is 36.2 secs Computing kpt #: 219 total cpu time spent up to now is 36.3 secs Computing kpt #: 220 total cpu time spent up to now is 36.5 secs Computing kpt #: 221 total cpu time spent up to now is 36.6 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 36.9 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 37.2 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 38.6 secs Computing kpt #: 234 total cpu time spent up to now is 38.8 secs Computing kpt #: 235 total cpu time spent up to now is 38.9 secs Computing kpt #: 236 total cpu time spent up to now is 39.1 secs Computing kpt #: 237 total cpu time spent up to now is 39.2 secs Computing kpt #: 238 total cpu time spent up to now is 39.4 secs Computing kpt #: 239 total cpu time spent up to now is 39.5 secs Computing kpt #: 240 total cpu time spent up to now is 39.7 secs Computing kpt #: 241 total cpu time spent up to now is 39.8 secs Computing kpt #: 242 total cpu time spent up to now is 40.0 secs Computing kpt #: 243 total cpu time spent up to now is 40.1 secs Computing kpt #: 244 total cpu time spent up to now is 40.2 secs Computing kpt #: 245 total cpu time spent up to now is 40.4 secs Computing kpt #: 246 total cpu time spent up to now is 40.5 secs Computing kpt #: 247 total cpu time spent up to now is 40.7 secs Computing kpt #: 248 total cpu time spent up to now is 40.9 secs Computing kpt #: 249 total cpu time spent up to now is 41.0 secs Computing kpt #: 250 total cpu time spent up to now is 41.2 secs Computing kpt #: 251 total cpu time spent up to now is 41.3 secs Computing kpt #: 252 total cpu time spent up to now is 41.5 secs Computing kpt #: 253 total cpu time spent up to now is 41.6 secs Computing kpt #: 254 total cpu time spent up to now is 41.7 secs Computing kpt #: 255 total cpu time spent up to now is 41.9 secs Computing kpt #: 256 total cpu time spent up to now is 42.0 secs Computing kpt #: 257 total cpu time spent up to now is 42.2 secs Computing kpt #: 258 total cpu time spent up to now is 42.3 secs Computing kpt #: 259 total cpu time spent up to now is 42.5 secs Computing kpt #: 260 total cpu time spent up to now is 42.6 secs Computing kpt #: 261 total cpu time spent up to now is 42.7 secs Computing kpt #: 262 total cpu time spent up to now is 42.9 secs Computing kpt #: 263 total cpu time spent up to now is 43.0 secs Computing kpt #: 264 total cpu time spent up to now is 43.2 secs Computing kpt #: 265 total cpu time spent up to now is 43.3 secs Computing kpt #: 266 total cpu time spent up to now is 43.5 secs Computing kpt #: 267 total cpu time spent up to now is 43.6 secs Computing kpt #: 268 total cpu time spent up to now is 43.8 secs Computing kpt #: 269 total cpu time spent up to now is 43.9 secs Computing kpt #: 270 total cpu time spent up to now is 44.1 secs Computing kpt #: 271 total cpu time spent up to now is 44.2 secs Computing kpt #: 272 total cpu time spent up to now is 44.4 secs Computing kpt #: 273 total cpu time spent up to now is 44.5 secs Computing kpt #: 274 total cpu time spent up to now is 44.7 secs Computing kpt #: 275 total cpu time spent up to now is 44.8 secs Computing kpt #: 276 total cpu time spent up to now is 45.0 secs Computing kpt #: 277 total cpu time spent up to now is 45.1 secs Computing kpt #: 278 total cpu time spent up to now is 45.3 secs Computing kpt #: 279 total cpu time spent up to now is 45.4 secs Computing kpt #: 280 total cpu time spent up to now is 45.6 secs Computing kpt #: 281 total cpu time spent up to now is 45.7 secs Computing kpt #: 282 total cpu time spent up to now is 45.9 secs Computing kpt #: 283 total cpu time spent up to now is 46.1 secs Computing kpt #: 284 total cpu time spent up to now is 46.2 secs Computing kpt #: 285 total cpu time spent up to now is 46.4 secs Computing kpt #: 286 total cpu time spent up to now is 46.5 secs Computing kpt #: 287 total cpu time spent up to now is 46.7 secs Computing kpt #: 288 total cpu time spent up to now is 46.8 secs Computing kpt #: 289 total cpu time spent up to now is 47.0 secs Computing kpt #: 290 total cpu time spent up to now is 47.1 secs Computing kpt #: 291 total cpu time spent up to now is 47.3 secs Computing kpt #: 292 total cpu time spent up to now is 47.5 secs Computing kpt #: 293 total cpu time spent up to now is 47.6 secs Computing kpt #: 294 total cpu time spent up to now is 47.8 secs Computing kpt #: 295 total cpu time spent up to now is 47.9 secs Computing kpt #: 296 total cpu time spent up to now is 48.1 secs Computing kpt #: 297 total cpu time spent up to now is 48.2 secs Computing kpt #: 298 total cpu time spent up to now is 48.4 secs Computing kpt #: 299 total cpu time spent up to now is 48.5 secs Computing kpt #: 300 total cpu time spent up to now is 48.7 secs Computing kpt #: 301 total cpu time spent up to now is 48.8 secs Computing kpt #: 302 total cpu time spent up to now is 49.0 secs Computing kpt #: 303 total cpu time spent up to now is 49.2 secs Computing kpt #: 304 total cpu time spent up to now is 49.3 secs Computing kpt #: 305 total cpu time spent up to now is 49.5 secs Computing kpt #: 306 total cpu time spent up to now is 49.7 secs Computing kpt #: 307 total cpu time spent up to now is 49.8 secs Computing kpt #: 308 total cpu time spent up to now is 50.0 secs Computing kpt #: 309 total cpu time spent up to now is 50.2 secs Computing kpt #: 310 total cpu time spent up to now is 50.4 secs Computing kpt #: 311 total cpu time spent up to now is 50.6 secs Computing kpt #: 312 total cpu time spent up to now is 50.8 secs Computing kpt #: 313 total cpu time spent up to now is 51.0 secs Computing kpt #: 314 total cpu time spent up to now is 51.2 secs Computing kpt #: 315 total cpu time spent up to now is 51.5 secs Computing kpt #: 316 total cpu time spent up to now is 51.7 secs Computing kpt #: 317 total cpu time spent up to now is 51.9 secs Computing kpt #: 318 total cpu time spent up to now is 52.1 secs Computing kpt #: 319 total cpu time spent up to now is 52.3 secs Computing kpt #: 320 total cpu time spent up to now is 52.5 secs Computing kpt #: 321 total cpu time spent up to now is 52.7 secs Computing kpt #: 322 total cpu time spent up to now is 53.0 secs Computing kpt #: 323 total cpu time spent up to now is 53.2 secs Computing kpt #: 324 total cpu time spent up to now is 53.4 secs Computing kpt #: 325 total cpu time spent up to now is 53.6 secs Computing kpt #: 326 total cpu time spent up to now is 53.7 secs Computing kpt #: 327 total cpu time spent up to now is 53.9 secs Computing kpt #: 328 total cpu time spent up to now is 54.0 secs Computing kpt #: 329 total cpu time spent up to now is 54.2 secs Computing kpt #: 330 total cpu time spent up to now is 54.3 secs Computing kpt #: 331 total cpu time spent up to now is 54.4 secs Computing kpt #: 332 total cpu time spent up to now is 54.6 secs Computing kpt #: 333 total cpu time spent up to now is 54.7 secs Computing kpt #: 334 total cpu time spent up to now is 54.9 secs Computing kpt #: 335 total cpu time spent up to now is 55.0 secs Computing kpt #: 336 total cpu time spent up to now is 55.2 secs Computing kpt #: 337 total cpu time spent up to now is 55.3 secs Computing kpt #: 338 total cpu time spent up to now is 55.5 secs Computing kpt #: 339 total cpu time spent up to now is 55.7 secs Computing kpt #: 340 total cpu time spent up to now is 55.8 secs Computing kpt #: 341 total cpu time spent up to now is 56.0 secs Computing kpt #: 342 total cpu time spent up to now is 56.1 secs Computing kpt #: 343 total cpu time spent up to now is 56.3 secs Computing kpt #: 344 total cpu time spent up to now is 56.4 secs Computing kpt #: 345 total cpu time spent up to now is 56.6 secs Computing kpt #: 346 total cpu time spent up to now is 56.7 secs Computing kpt #: 347 total cpu time spent up to now is 56.9 secs Computing kpt #: 348 total cpu time spent up to now is 57.0 secs Computing kpt #: 349 total cpu time spent up to now is 57.1 secs Computing kpt #: 350 total cpu time spent up to now is 57.3 secs Computing kpt #: 351 total cpu time spent up to now is 57.4 secs Computing kpt #: 352 total cpu time spent up to now is 57.5 secs Computing kpt #: 353 total cpu time spent up to now is 57.7 secs Computing kpt #: 354 total cpu time spent up to now is 57.8 secs Computing kpt #: 355 total cpu time spent up to now is 57.9 secs Computing kpt #: 356 total cpu time spent up to now is 58.1 secs Computing kpt #: 357 total cpu time spent up to now is 58.2 secs Computing kpt #: 358 total cpu time spent up to now is 58.3 secs Computing kpt #: 359 total cpu time spent up to now is 58.5 secs Computing kpt #: 360 total cpu time spent up to now is 58.6 secs Computing kpt #: 361 total cpu time spent up to now is 58.7 secs Computing kpt #: 362 total cpu time spent up to now is 58.9 secs Computing kpt #: 363 total cpu time spent up to now is 59.0 secs Computing kpt #: 364 total cpu time spent up to now is 59.1 secs Computing kpt #: 365 total cpu time spent up to now is 59.3 secs Computing kpt #: 366 total cpu time spent up to now is 59.4 secs Computing kpt #: 367 total cpu time spent up to now is 59.6 secs Computing kpt #: 368 total cpu time spent up to now is 59.7 secs Computing kpt #: 369 total cpu time spent up to now is 59.9 secs Computing kpt #: 370 total cpu time spent up to now is 60.0 secs Computing kpt #: 371 total cpu time spent up to now is 60.2 secs Computing kpt #: 372 total cpu time spent up to now is 60.3 secs Computing kpt #: 373 total cpu time spent up to now is 60.5 secs Computing kpt #: 374 total cpu time spent up to now is 60.6 secs Computing kpt #: 375 total cpu time spent up to now is 60.8 secs Computing kpt #: 376 total cpu time spent up to now is 60.9 secs Computing kpt #: 377 total cpu time spent up to now is 61.1 secs Computing kpt #: 378 total cpu time spent up to now is 61.2 secs Computing kpt #: 379 total cpu time spent up to now is 61.4 secs Computing kpt #: 380 total cpu time spent up to now is 61.5 secs Computing kpt #: 381 total cpu time spent up to now is 61.7 secs Computing kpt #: 382 total cpu time spent up to now is 61.8 secs Computing kpt #: 383 total cpu time spent up to now is 61.9 secs Computing kpt #: 384 total cpu time spent up to now is 62.1 secs Computing kpt #: 385 total cpu time spent up to now is 62.2 secs Computing kpt #: 386 total cpu time spent up to now is 62.4 secs ethr = 3.85E-08, avg # of iterations = 16.4 total cpu time spent up to now is 62.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1913 PWs) bands (ev): -1.7868 -1.7868 -1.7819 -1.7819 -1.7705 -1.7705 -1.7224 -1.7224 0.2991 0.2991 0.3468 0.3468 0.3551 0.3551 0.3651 0.3651 0.4227 0.4227 0.7413 0.7413 0.8249 0.8249 5.9718 5.9718 7.9641 7.9641 18.0600 18.0600 19.3237 19.3237 19.7797 19.7797 21.4787 21.4787 k = 0.0094 0.0054-0.0000 ( 1912 PWs) bands (ev): -1.7867 -1.7867 -1.7818 -1.7818 -1.7705 -1.7705 -1.7223 -1.7223 0.2990 0.2990 0.3471 0.3471 0.3543 0.3543 0.3658 0.3658 0.4229 0.4229 0.7410 0.7410 0.8266 0.8266 5.9728 5.9728 7.9664 7.9664 18.0476 18.0476 19.2948 19.2948 19.7867 19.7867 21.4373 21.4373 k = 0.0189 0.0109-0.0000 ( 1912 PWs) bands (ev): -1.7866 -1.7866 -1.7816 -1.7816 -1.7703 -1.7703 -1.7220 -1.7220 0.2988 0.2988 0.3479 0.3479 0.3525 0.3525 0.3675 0.3675 0.4236 0.4236 0.7403 0.7403 0.8318 0.8318 5.9759 5.9759 7.9732 7.9732 18.0103 18.0103 19.2154 19.2154 19.8019 19.8019 21.3511 21.3511 k = 0.0283 0.0163-0.0000 ( 1908 PWs) bands (ev): -1.7865 -1.7865 -1.7812 -1.7812 -1.7699 -1.7699 -1.7215 -1.7215 0.2984 0.2984 0.3492 0.3492 0.3503 0.3503 0.3695 0.3695 0.4247 0.4247 0.7390 0.7390 0.8405 0.8405 5.9810 5.9810 7.9844 7.9844 17.9484 17.9484 19.0999 19.0999 19.8152 19.8152 21.2560 21.2560 k = 0.0377 0.0218-0.0000 ( 1908 PWs) bands (ev): -1.7864 -1.7864 -1.7806 -1.7806 -1.7695 -1.7695 -1.7209 -1.7209 0.2979 0.2979 0.3479 0.3479 0.3511 0.3511 0.3716 0.3716 0.4263 0.4263 0.7373 0.7373 0.8526 0.8526 5.9882 5.9882 8.0002 8.0002 17.8621 17.8621 18.9607 18.9607 19.8195 19.8195 21.1634 21.1634 k = 0.0472 0.0272-0.0000 ( 1906 PWs) bands (ev): -1.7862 -1.7862 -1.7799 -1.7799 -1.7689 -1.7689 -1.7201 -1.7201 0.2974 0.2974 0.3455 0.3455 0.3533 0.3533 0.3736 0.3736 0.4285 0.4285 0.7351 0.7351 0.8682 0.8682 5.9975 5.9975 8.0204 8.0204 17.7517 17.7517 18.8075 18.8075 19.8113 19.8113 21.0775 21.0775 k = 0.0566 0.0327-0.0000 ( 1902 PWs) bands (ev): -1.7860 -1.7860 -1.7790 -1.7790 -1.7682 -1.7682 -1.7192 -1.7192 0.2968 0.2968 0.3432 0.3432 0.3558 0.3558 0.3753 0.3753 0.4311 0.4311 0.7325 0.7325 0.8873 0.8873 6.0089 6.0089 8.0451 8.0451 17.6176 17.6176 18.6473 18.6473 19.7882 19.7882 20.9999 20.9999 k = 0.0660 0.0381-0.0000 ( 1902 PWs) bands (ev): -1.7858 -1.7858 -1.7779 -1.7779 -1.7674 -1.7674 -1.7181 -1.7181 0.2961 0.2961 0.3411 0.3411 0.3586 0.3586 0.3768 0.3768 0.4343 0.4343 0.7296 0.7296 0.9099 0.9099 6.0223 6.0223 8.0741 8.0741 17.4606 17.4606 18.4857 18.4857 19.7490 19.7490 20.9307 20.9307 k = 0.0755 0.0436-0.0000 ( 1894 PWs) bands (ev): -1.7856 -1.7856 -1.7766 -1.7766 -1.7666 -1.7666 -1.7168 -1.7168 0.2954 0.2954 0.3393 0.3393 0.3616 0.3616 0.3780 0.3780 0.4380 0.4380 0.7263 0.7263 0.9361 0.9361 6.0378 6.0378 8.1075 8.1075 17.2822 17.2822 18.3262 18.3262 19.6934 19.6934 20.8691 20.8691 k = 0.0849 0.0490-0.0000 ( 1896 PWs) bands (ev): -1.7854 -1.7854 -1.7752 -1.7752 -1.7657 -1.7657 -1.7154 -1.7154 0.2946 0.2946 0.3377 0.3377 0.3646 0.3646 0.3791 0.3791 0.4422 0.4422 0.7228 0.7228 0.9659 0.9659 6.0555 6.0555 8.1452 8.1452 17.0846 17.0846 18.1705 18.1705 19.6217 19.6217 20.8133 20.8133 k = 0.0943 0.0545-0.0000 ( 1892 PWs) bands (ev): -1.7852 -1.7852 -1.7737 -1.7737 -1.7648 -1.7648 -1.7139 -1.7139 0.2938 0.2938 0.3364 0.3364 0.3674 0.3674 0.3800 0.3800 0.4469 0.4469 0.7190 0.7190 0.9994 0.9994 6.0753 6.0753 8.1870 8.1870 16.8707 16.8707 18.0192 18.0192 19.5349 19.5349 20.7610 20.7610 k = 0.1038 0.0599-0.0000 ( 1888 PWs) bands (ev): -1.7850 -1.7850 -1.7720 -1.7720 -1.7639 -1.7639 -1.7122 -1.7122 0.2929 0.2929 0.3355 0.3355 0.3698 0.3698 0.3813 0.3813 0.4521 0.4521 0.7151 0.7151 1.0364 1.0364 6.0973 6.0973 8.2331 8.2331 16.6435 16.6435 17.8717 17.8717 19.4343 19.4343 20.7098 20.7098 k = 0.1132 0.0654-0.0000 ( 1892 PWs) bands (ev): -1.7848 -1.7848 -1.7702 -1.7702 -1.7630 -1.7630 -1.7104 -1.7104 0.2920 0.2920 0.3350 0.3350 0.3713 0.3713 0.3831 0.3831 0.4577 0.4577 0.7110 0.7110 1.0772 1.0772 6.1215 6.1215 8.2832 8.2832 16.4060 16.4060 17.7275 17.7275 19.3211 19.3211 20.6572 20.6572 k = 0.1226 0.0708-0.0000 ( 1900 PWs) bands (ev): -1.7846 -1.7846 -1.7684 -1.7684 -1.7622 -1.7622 -1.7086 -1.7086 0.2910 0.2910 0.3347 0.3347 0.3718 0.3718 0.3856 0.3856 0.4637 0.4637 0.7069 0.7069 1.1215 1.1215 6.1478 6.1478 8.3374 8.3374 16.1605 16.1605 17.5857 17.5857 19.1966 19.1966 20.6012 20.6012 k = 0.1321 0.0763-0.0000 ( 1904 PWs) bands (ev): -1.7844 -1.7844 -1.7665 -1.7665 -1.7613 -1.7613 -1.7067 -1.7067 0.2900 0.2900 0.3349 0.3349 0.3715 0.3715 0.3888 0.3888 0.4699 0.4699 0.7028 0.7028 1.1696 1.1696 6.1763 6.1763 8.3954 8.3954 15.9091 15.9091 17.4458 17.4458 19.0617 19.0617 20.5403 20.5403 k = 0.1415 0.0817-0.0000 ( 1904 PWs) bands (ev): -1.7842 -1.7842 -1.7645 -1.7645 -1.7605 -1.7605 -1.7048 -1.7048 0.2890 0.2890 0.3354 0.3354 0.3706 0.3706 0.3922 0.3922 0.4764 0.4764 0.6989 0.6989 1.2213 1.2213 6.2071 6.2071 8.4573 8.4573 15.6535 15.6535 17.3072 17.3072 18.9173 18.9173 20.4732 20.4732 k = 0.1509 0.0871-0.0000 ( 1902 PWs) bands (ev): -1.7841 -1.7841 -1.7624 -1.7624 -1.7598 -1.7598 -1.7028 -1.7028 0.2881 0.2881 0.3361 0.3361 0.3694 0.3694 0.3959 0.3959 0.4830 0.4830 0.6953 0.6953 1.2767 1.2767 6.2401 6.2401 8.5230 8.5230 15.3951 15.3951 17.1694 17.1694 18.7642 18.7642 20.3989 20.3989 k = 0.1604 0.0926-0.0000 ( 1902 PWs) bands (ev): -1.7839 -1.7839 -1.7605 -1.7605 -1.7590 -1.7590 -1.7008 -1.7008 0.2873 0.2873 0.3371 0.3371 0.3680 0.3680 0.3995 0.3995 0.4898 0.4898 0.6920 0.6920 1.3358 1.3358 6.2753 6.2753 8.5923 8.5923 15.1351 15.1351 17.0321 17.0321 18.6032 18.6032 20.3165 20.3165 k = 0.1698 0.0980-0.0000 ( 1902 PWs) bands (ev): -1.7837 -1.7837 -1.7591 -1.7591 -1.7577 -1.7577 -1.6988 -1.6988 0.2866 0.2866 0.3381 0.3381 0.3666 0.3666 0.4032 0.4032 0.4965 0.4965 0.6891 0.6891 1.3985 1.3985 6.3127 6.3127 8.6651 8.6651 14.8742 14.8742 16.8951 16.8951 18.4352 18.4352 20.2250 20.2250 k = 0.1792 0.1035-0.0000 ( 1910 PWs) bands (ev): -1.7836 -1.7836 -1.7585 -1.7585 -1.7558 -1.7558 -1.6969 -1.6969 0.2860 0.2860 0.3391 0.3391 0.3652 0.3652 0.4067 0.4067 0.5031 0.5031 0.6869 0.6869 1.4648 1.4648 6.3523 6.3523 8.7414 8.7414 14.6133 14.6133 16.7578 16.7578 18.2613 18.2613 20.1230 20.1230 k = 0.1887 0.1089-0.0000 ( 1906 PWs) bands (ev): -1.7835 -1.7835 -1.7580 -1.7580 -1.7538 -1.7538 -1.6951 -1.6951 0.2856 0.2856 0.3399 0.3399 0.3641 0.3641 0.4101 0.4101 0.5095 0.5095 0.6854 0.6854 1.5348 1.5348 6.3941 6.3941 8.8210 8.8210 14.3530 14.3530 16.6201 16.6201 18.0824 18.0824 20.0089 20.0089 k = 0.1981 0.1144-0.0000 ( 1910 PWs) bands (ev): -1.7834 -1.7834 -1.7577 -1.7577 -1.7517 -1.7517 -1.6934 -1.6934 0.2854 0.2854 0.3403 0.3403 0.3635 0.3635 0.4133 0.4133 0.5157 0.5157 0.6847 0.6847 1.6084 1.6084 6.4381 6.4381 8.9038 8.9038 14.0939 14.0939 16.4815 16.4815 17.9000 17.9000 19.8814 19.8814 k = 0.2075 0.1198-0.0000 ( 1910 PWs) bands (ev): -1.7833 -1.7833 -1.7575 -1.7575 -1.7497 -1.7497 -1.6918 -1.6918 0.2855 0.2855 0.3400 0.3400 0.3636 0.3636 0.4163 0.4163 0.5216 0.5216 0.6849 0.6849 1.6856 1.6856 6.4842 6.4842 8.9895 8.9895 13.8365 13.8365 16.3416 16.3416 17.7153 17.7153 19.7395 19.7395 k = 0.2170 0.1253-0.0000 ( 1914 PWs) bands (ev): -1.7833 -1.7833 -1.7574 -1.7574 -1.7476 -1.7476 -1.6903 -1.6903 0.2857 0.2857 0.3391 0.3391 0.3645 0.3645 0.4190 0.4190 0.5270 0.5270 0.6861 0.6861 1.7664 1.7664 6.5323 6.5323 9.0782 9.0782 13.5814 13.5814 16.1998 16.1998 17.5298 17.5298 19.5838 19.5838 k = 0.2264 0.1307-0.0000 ( 1916 PWs) bands (ev): -1.7832 -1.7832 -1.7574 -1.7574 -1.7457 -1.7457 -1.6890 -1.6890 0.2861 0.2861 0.3375 0.3375 0.3661 0.3661 0.4213 0.4213 0.5321 0.5321 0.6884 0.6884 1.8508 1.8508 6.5823 6.5823 9.1696 9.1696 13.3289 13.3289 16.0555 16.0555 17.3452 17.3452 19.4158 19.4158 k = 0.2358 0.1362-0.0000 ( 1920 PWs) bands (ev): -1.7832 -1.7832 -1.7575 -1.7575 -1.7438 -1.7438 -1.6878 -1.6878 0.2867 0.2867 0.3355 0.3355 0.3682 0.3682 0.4233 0.4233 0.5369 0.5369 0.6918 0.6918 1.9387 1.9387 6.6341 6.6341 9.2634 9.2634 13.0797 13.0797 15.9080 15.9080 17.1629 17.1629 19.2380 19.2380 k = 0.2453 0.1416-0.0000 ( 1920 PWs) bands (ev): -1.7832 -1.7832 -1.7577 -1.7577 -1.7419 -1.7419 -1.6869 -1.6869 0.2875 0.2875 0.3331 0.3331 0.3708 0.3708 0.4249 0.4249 0.5413 0.5413 0.6962 0.6962 2.0301 2.0301 6.6876 6.6876 9.3595 9.3595 12.8342 12.8342 15.7566 15.7566 16.9847 16.9847 19.0527 19.0527 k = 0.2547 0.1471-0.0000 ( 1922 PWs) bands (ev): -1.7832 -1.7832 -1.7580 -1.7580 -1.7402 -1.7402 -1.6861 -1.6861 0.2885 0.2885 0.3306 0.3306 0.3736 0.3736 0.4260 0.4260 0.5455 0.5455 0.7015 0.7015 2.1250 2.1250 6.7425 6.7425 9.4575 9.4575 12.5932 12.5932 15.6006 15.6006 16.8120 16.8120 18.8622 18.8622 k = 0.2642 0.1525-0.0000 ( 1926 PWs) bands (ev): -1.7832 -1.7832 -1.7584 -1.7584 -1.7385 -1.7385 -1.6855 -1.6855 0.2895 0.2895 0.3280 0.3280 0.3766 0.3766 0.4266 0.4266 0.5496 0.5496 0.7077 0.7077 2.2233 2.2233 6.7986 6.7986 9.5570 9.5570 12.3573 12.3573 15.4394 15.4394 16.6462 16.6462 18.6682 18.6682 k = 0.2736 0.1580-0.0000 ( 1930 PWs) bands (ev): -1.7833 -1.7833 -1.7588 -1.7588 -1.7369 -1.7369 -1.6851 -1.6851 0.2906 0.2906 0.3256 0.3256 0.3797 0.3797 0.4267 0.4267 0.5536 0.5536 0.7146 0.7146 2.3251 2.3251 6.8554 6.8554 9.6574 9.6574 12.1274 12.1274 15.2726 15.2726 16.4884 16.4884 18.4721 18.4721 k = 0.2830 0.1634-0.0000 ( 1930 PWs) bands (ev): -1.7833 -1.7833 -1.7593 -1.7593 -1.7354 -1.7354 -1.6849 -1.6849 0.2916 0.2916 0.3234 0.3234 0.3829 0.3829 0.4264 0.4264 0.5577 0.5577 0.7222 0.7222 2.4302 2.4302 6.9126 6.9126 9.7581 9.7581 11.9049 11.9049 15.1003 15.1003 16.3392 16.3392 18.2749 18.2749 k = 0.2925 0.1688-0.0000 ( 1930 PWs) bands (ev): -1.7834 -1.7834 -1.7598 -1.7598 -1.7339 -1.7339 -1.6849 -1.6849 0.2923 0.2923 0.3216 0.3216 0.3862 0.3862 0.4257 0.4257 0.5618 0.5618 0.7302 0.7302 2.5386 2.5386 6.9696 6.9696 9.8578 9.8578 11.6914 11.6914 14.9227 14.9227 16.1990 16.1990 18.0775 18.0775 k = 0.3019 0.1743-0.0000 ( 1930 PWs) bands (ev): -1.7836 -1.7836 -1.7604 -1.7604 -1.7325 -1.7325 -1.6850 -1.6850 0.2926 0.2926 0.3204 0.3204 0.3894 0.3894 0.4247 0.4247 0.5660 0.5660 0.7385 0.7385 2.6503 2.6503 7.0258 7.0258 9.9545 9.9545 11.4896 11.4896 14.7404 14.7404 16.0680 16.0680 17.8804 17.8804 k = 0.3113 0.1797-0.0000 ( 1926 PWs) bands (ev): -1.7837 -1.7837 -1.7610 -1.7610 -1.7312 -1.7312 -1.6853 -1.6853 0.2923 0.2923 0.3199 0.3199 0.3926 0.3926 0.4233 0.4233 0.5703 0.5703 0.7471 0.7471 2.7652 2.7652 7.0801 7.0801 10.0450 10.0450 11.3034 11.3034 14.5542 14.5542 15.9458 15.9458 17.6842 17.6842 k = 0.3208 0.1852-0.0000 ( 1922 PWs) bands (ev): -1.7838 -1.7838 -1.7617 -1.7617 -1.7300 -1.7300 -1.6858 -1.6858 0.2914 0.2914 0.3203 0.3203 0.3957 0.3957 0.4218 0.4218 0.5748 0.5748 0.7558 0.7558 2.8833 2.8833 7.1315 7.1315 10.1232 10.1232 11.1399 11.1399 14.3651 14.3651 15.8320 15.8320 17.4894 17.4894 k = 0.3302 0.1906-0.0000 ( 1918 PWs) bands (ev): -1.7840 -1.7840 -1.7623 -1.7623 -1.7288 -1.7288 -1.6865 -1.6865 0.2899 0.2899 0.3214 0.3214 0.3988 0.3988 0.4200 0.4200 0.5793 0.5793 0.7646 0.7646 3.0044 3.0044 7.1787 7.1787 10.1783 10.1783 11.0111 11.0111 14.1741 14.1741 15.7263 15.7263 17.2963 17.2963 k = 0.3396 0.1961-0.0000 ( 1924 PWs) bands (ev): -1.7842 -1.7842 -1.7631 -1.7631 -1.7278 -1.7278 -1.6873 -1.6873 0.2879 0.2879 0.3230 0.3230 0.4016 0.4016 0.4182 0.4182 0.5838 0.5838 0.7733 0.7733 3.1285 3.1285 7.2199 7.2199 10.1950 10.1950 10.9337 10.9337 13.9822 13.9822 15.6280 15.6280 17.1054 17.1054 k = 0.3491 0.2015-0.0000 ( 1924 PWs) bands (ev): -1.7844 -1.7844 -1.7638 -1.7638 -1.7268 -1.7268 -1.6882 -1.6882 0.2856 0.2856 0.3251 0.3251 0.4041 0.4041 0.4166 0.4166 0.5884 0.5884 0.7818 0.7818 3.2554 3.2554 7.2532 7.2532 10.1644 10.1644 10.9182 10.9182 13.7906 13.7906 15.5368 15.5368 16.9171 16.9171 k = 0.3585 0.2070-0.0000 ( 1924 PWs) bands (ev): -1.7847 -1.7847 -1.7645 -1.7645 -1.7258 -1.7258 -1.6892 -1.6892 0.2832 0.2832 0.3275 0.3275 0.4060 0.4060 0.4154 0.4154 0.5929 0.5929 0.7902 0.7902 3.3851 3.3851 7.2763 7.2763 10.0980 10.0980 10.9548 10.9548 13.6004 13.6004 15.4522 15.4522 16.7317 16.7317 k = 0.3679 0.2124-0.0000 ( 1924 PWs) bands (ev): -1.7849 -1.7849 -1.7652 -1.7652 -1.7249 -1.7249 -1.6903 -1.6903 0.2807 0.2807 0.3300 0.3300 0.4068 0.4068 0.4152 0.4152 0.5974 0.5974 0.7983 0.7983 3.5175 3.5175 7.2866 7.2866 10.0178 10.0178 11.0233 11.0233 13.4129 13.4129 15.3738 15.3738 16.5496 16.5496 k = 0.3774 0.2179-0.0000 ( 1932 PWs) bands (ev): -1.7852 -1.7852 -1.7658 -1.7658 -1.7241 -1.7241 -1.6915 -1.6915 0.2782 0.2782 0.3326 0.3326 0.4062 0.4062 0.4162 0.4162 0.6018 0.6018 0.8060 0.8060 3.6522 3.6522 7.2818 7.2818 9.9410 9.9410 11.1078 11.1078 13.2293 13.2293 15.3014 15.3014 16.3714 16.3714 k = 0.3868 0.2233-0.0000 ( 1932 PWs) bands (ev): -1.7854 -1.7854 -1.7665 -1.7665 -1.7233 -1.7233 -1.6927 -1.6927 0.2757 0.2757 0.3352 0.3352 0.4049 0.4049 0.4179 0.4179 0.6060 0.6060 0.8134 0.8134 3.7891 3.7891 7.2598 7.2598 9.8778 9.8778 11.1987 11.1987 13.0516 13.0516 15.2347 15.2347 16.1977 16.1977 k = 0.3962 0.2288-0.0000 ( 1928 PWs) bands (ev): -1.7857 -1.7857 -1.7671 -1.7671 -1.7225 -1.7225 -1.6940 -1.6940 0.2734 0.2734 0.3378 0.3378 0.4034 0.4034 0.4198 0.4198 0.6101 0.6101 0.8204 0.8204 3.9280 3.9280 7.2195 7.2195 9.8336 9.8336 11.2893 11.2893 12.8821 12.8821 15.1733 15.1733 16.0291 16.0291 k = 0.4057 0.2342-0.0000 ( 1926 PWs) bands (ev): -1.7860 -1.7860 -1.7676 -1.7676 -1.7218 -1.7218 -1.6952 -1.6952 0.2711 0.2711 0.3402 0.3402 0.4018 0.4018 0.4217 0.4217 0.6139 0.6139 0.8269 0.8269 4.0685 4.0685 7.1606 7.1606 9.8109 9.8109 11.3737 11.3737 12.7244 12.7244 15.1171 15.1171 15.8666 15.8666 k = 0.4151 0.2397-0.0000 ( 1926 PWs) bands (ev): -1.7862 -1.7862 -1.7681 -1.7681 -1.7211 -1.7211 -1.6965 -1.6965 0.2690 0.2690 0.3425 0.3425 0.4003 0.4003 0.4235 0.4235 0.6175 0.6175 0.8329 0.8329 4.2101 4.2101 7.0842 7.0842 9.8100 9.8100 11.4449 11.4449 12.5842 12.5842 15.0658 15.0658 15.7111 15.7111 k = 0.4245 0.2451-0.0000 ( 1924 PWs) bands (ev): -1.7865 -1.7865 -1.7686 -1.7686 -1.7204 -1.7204 -1.6978 -1.6978 0.2671 0.2671 0.3447 0.3447 0.3989 0.3989 0.4252 0.4252 0.6208 0.6208 0.8383 0.8383 4.3522 4.3522 6.9926 6.9926 9.8295 9.8295 11.4934 11.4934 12.4697 12.4697 15.0190 15.0190 15.5642 15.5642 k = 0.4340 0.2505-0.0000 ( 1924 PWs) bands (ev): -1.7867 -1.7867 -1.7690 -1.7690 -1.7197 -1.7197 -1.6990 -1.6990 0.2654 0.2654 0.3466 0.3466 0.3977 0.3977 0.4267 0.4267 0.6237 0.6237 0.8432 0.8432 4.4940 4.4940 6.8886 6.8886 9.8670 9.8670 11.5083 11.5083 12.3911 12.3911 14.9762 14.9762 15.4276 15.4276 k = 0.4434 0.2560-0.0000 ( 1926 PWs) bands (ev): -1.7869 -1.7869 -1.7693 -1.7693 -1.7191 -1.7191 -1.7001 -1.7001 0.2639 0.2639 0.3483 0.3483 0.3966 0.3966 0.4280 0.4280 0.6263 0.6263 0.8475 0.8475 4.6342 4.6342 6.7760 6.7760 9.9194 9.9194 11.4827 11.4827 12.3544 12.3544 14.9368 14.9368 15.3037 15.3037 k = 0.4528 0.2614-0.0000 ( 1928 PWs) bands (ev): -1.7871 -1.7871 -1.7696 -1.7696 -1.7185 -1.7185 -1.7012 -1.7012 0.2625 0.2625 0.3497 0.3497 0.3957 0.3957 0.4291 0.4291 0.6286 0.6286 0.8511 0.8511 4.7708 4.7708 6.6588 6.6588 9.9829 9.9829 11.4213 11.4213 12.3546 12.3546 14.8995 14.8995 15.1957 15.1957 k = 0.4623 0.2669-0.0000 ( 1924 PWs) bands (ev): -1.7873 -1.7873 -1.7699 -1.7699 -1.7179 -1.7179 -1.7021 -1.7021 0.2615 0.2615 0.3509 0.3509 0.3950 0.3950 0.4301 0.4301 0.6305 0.6305 0.8542 0.8542 4.9009 4.9009 6.5420 6.5420 10.0531 10.0531 11.3381 11.3381 12.3778 12.3778 14.8634 14.8634 15.1073 15.1073 k = 0.4717 0.2723-0.0000 ( 1924 PWs) bands (ev): -1.7875 -1.7875 -1.7701 -1.7701 -1.7175 -1.7175 -1.7029 -1.7029 0.2606 0.2606 0.3518 0.3518 0.3944 0.3944 0.4308 0.4308 0.6320 0.6320 0.8565 0.8565 5.0197 5.0197 6.4320 6.4320 10.1244 10.1244 11.2488 11.2488 12.4096 12.4096 14.8281 14.8281 15.0413 15.0413 k = 0.4811 0.2778-0.0000 ( 1928 PWs) bands (ev): -1.7876 -1.7876 -1.7702 -1.7702 -1.7171 -1.7171 -1.7035 -1.7035 0.2600 0.2600 0.3525 0.3525 0.3941 0.3941 0.4313 0.4313 0.6330 0.6330 0.8582 0.8582 5.1193 5.1193 6.3378 6.3378 10.1887 10.1887 11.1681 11.1681 12.4394 12.4394 14.7964 14.7964 14.9978 14.9978 k = 0.4906 0.2832-0.0000 ( 1930 PWs) bands (ev): -1.7876 -1.7876 -1.7703 -1.7703 -1.7169 -1.7169 -1.7039 -1.7039 0.2596 0.2596 0.3529 0.3529 0.3938 0.3938 0.4316 0.4316 0.6336 0.6336 0.8592 0.8592 5.1881 5.1881 6.2719 6.2719 10.2353 10.2353 11.1105 11.1105 12.4600 12.4600 14.7739 14.7739 14.9740 14.9740 k = 0.5000 0.2887-0.0000 ( 1930 PWs) bands (ev): -1.7876 -1.7876 -1.7703 -1.7703 -1.7168 -1.7168 -1.7041 -1.7041 0.2595 0.2595 0.3530 0.3530 0.3937 0.3937 0.4317 0.4317 0.6339 0.6339 0.8596 0.8596 5.2131 5.2131 6.2478 6.2478 10.2527 10.2527 11.0893 11.0893 12.4673 12.4673 14.7657 14.7657 14.9665 14.9665 k = 0.5000 0.2887-0.0000 ( 1930 PWs) bands (ev): -1.7876 -1.7876 -1.7703 -1.7703 -1.7168 -1.7168 -1.7041 -1.7041 0.2595 0.2595 0.3530 0.3530 0.3937 0.3937 0.4317 0.4317 0.6339 0.6339 0.8596 0.8596 5.2131 5.2131 6.2478 6.2478 10.2527 10.2527 11.0893 11.0893 12.4673 12.4673 14.7657 14.7657 14.9665 14.9665 k = 0.4946 0.2980-0.0000 ( 1930 PWs) bands (ev): -1.7875 -1.7875 -1.7702 -1.7702 -1.7168 -1.7168 -1.7040 -1.7040 0.2595 0.2595 0.3528 0.3528 0.3935 0.3935 0.4323 0.4323 0.6337 0.6337 0.8593 0.8593 5.2143 5.2143 6.2490 6.2490 10.2530 10.2530 11.0910 11.0910 12.4692 12.4692 14.7658 14.7658 14.9522 14.9522 k = 0.4892 0.3073-0.0000 ( 1926 PWs) bands (ev): -1.7869 -1.7869 -1.7701 -1.7701 -1.7167 -1.7167 -1.7039 -1.7039 0.2595 0.2595 0.3522 0.3522 0.3930 0.3930 0.4340 0.4340 0.6334 0.6334 0.8583 0.8583 5.2179 5.2179 6.2526 6.2526 10.2540 10.2540 11.0961 11.0961 12.4750 12.4750 14.7657 14.7657 14.9105 14.9105 k = 0.4839 0.3166-0.0000 ( 1926 PWs) bands (ev): -1.7859 -1.7859 -1.7698 -1.7698 -1.7166 -1.7166 -1.7038 -1.7038 0.2595 0.2595 0.3512 0.3512 0.3924 0.3924 0.4365 0.4365 0.6328 0.6328 0.8567 0.8567 5.2239 5.2239 6.2586 6.2586 10.2555 10.2555 11.1047 11.1047 12.4846 12.4846 14.7632 14.7632 14.8458 14.8458 k = 0.4785 0.3259-0.0000 ( 1926 PWs) bands (ev): -1.7846 -1.7846 -1.7695 -1.7695 -1.7165 -1.7165 -1.7036 -1.7036 0.2595 0.2595 0.3499 0.3499 0.3916 0.3916 0.4398 0.4398 0.6319 0.6319 0.8544 0.8544 5.2322 5.2322 6.2669 6.2669 10.2574 10.2574 11.1167 11.1167 12.4981 12.4981 14.7313 14.7313 14.7885 14.7885 k = 0.4731 0.3352-0.0000 ( 1928 PWs) bands (ev): -1.7829 -1.7829 -1.7691 -1.7691 -1.7163 -1.7163 -1.7034 -1.7034 0.2595 0.2595 0.3484 0.3484 0.3910 0.3910 0.4436 0.4436 0.6309 0.6309 0.8515 0.8515 5.2430 5.2430 6.2775 6.2775 10.2596 10.2596 11.1320 11.1320 12.5153 12.5153 14.6321 14.6321 14.7804 14.7804 k = 0.4677 0.3445-0.0000 ( 1929 PWs) bands (ev): -1.7809 -1.7809 -1.7687 -1.7687 -1.7161 -1.7161 -1.7031 -1.7031 0.2595 0.2595 0.3468 0.3468 0.3906 0.3906 0.4476 0.4476 0.6298 0.6298 0.8480 0.8480 5.2561 5.2561 6.2902 6.2902 10.2618 10.2618 11.1506 11.1506 12.5361 12.5361 14.5100 14.5100 14.7810 14.7810 k = 0.4624 0.3539-0.0000 ( 1929 PWs) bands (ev): -1.7786 -1.7786 -1.7682 -1.7682 -1.7159 -1.7159 -1.7027 -1.7027 0.2594 0.2594 0.3452 0.3452 0.3903 0.3903 0.4518 0.4518 0.6285 0.6285 0.8440 0.8440 5.2717 5.2717 6.3052 6.3052 10.2638 10.2638 11.1724 11.1724 12.5606 12.5606 14.3762 14.3762 14.7829 14.7829 k = 0.4570 0.3632-0.0000 ( 1929 PWs) bands (ev): -1.7760 -1.7760 -1.7676 -1.7676 -1.7156 -1.7156 -1.7022 -1.7022 0.2592 0.2592 0.3437 0.3437 0.3902 0.3902 0.4561 0.4561 0.6273 0.6273 0.8394 0.8394 5.2897 5.2897 6.3221 6.3221 10.2652 10.2652 11.1973 11.1973 12.5884 12.5884 14.2353 14.2353 14.7850 14.7850 k = 0.4516 0.3725-0.0000 ( 1935 PWs) bands (ev): -1.7732 -1.7732 -1.7671 -1.7671 -1.7153 -1.7153 -1.7017 -1.7017 0.2590 0.2590 0.3423 0.3423 0.3902 0.3902 0.4603 0.4603 0.6260 0.6260 0.8342 0.8342 5.3102 5.3102 6.3409 6.3409 10.2655 10.2655 11.2251 11.2251 12.6194 12.6194 14.0907 14.0907 14.7869 14.7869 k = 0.4462 0.3818-0.0000 ( 1935 PWs) bands (ev): -1.7701 -1.7701 -1.7665 -1.7665 -1.7150 -1.7150 -1.7010 -1.7010 0.2587 0.2587 0.3413 0.3413 0.3903 0.3903 0.4645 0.4645 0.6248 0.6248 0.8286 0.8286 5.3331 5.3331 6.3614 6.3614 10.2642 10.2642 11.2559 11.2559 12.6533 12.6533 13.9460 13.9460 14.7880 14.7880 k = 0.4409 0.3911-0.0000 ( 1935 PWs) bands (ev): -1.7672 -1.7672 -1.7657 -1.7657 -1.7148 -1.7148 -1.7003 -1.7003 0.2584 0.2584 0.3405 0.3405 0.3905 0.3905 0.4684 0.4684 0.6238 0.6238 0.8224 0.8224 5.3585 5.3585 6.3835 6.3835 10.2607 10.2607 11.2893 11.2893 12.6896 12.6896 13.8041 13.8041 14.7881 14.7881 k = 0.4355 0.4004-0.0000 ( 1931 PWs) bands (ev): -1.7658 -1.7658 -1.7631 -1.7631 -1.7145 -1.7145 -1.6995 -1.6995 0.2580 0.2580 0.3401 0.3401 0.3907 0.3907 0.4722 0.4722 0.6231 0.6231 0.8159 0.8159 5.3864 5.3864 6.4069 6.4069 10.2542 10.2542 11.3252 11.3252 12.7275 12.7275 13.6684 13.6684 14.7865 14.7865 k = 0.4301 0.4097-0.0000 ( 1927 PWs) bands (ev): -1.7653 -1.7653 -1.7597 -1.7597 -1.7142 -1.7142 -1.6986 -1.6986 0.2576 0.2576 0.3400 0.3400 0.3910 0.3910 0.4758 0.4758 0.6226 0.6226 0.8090 0.8090 5.4168 5.4168 6.4314 6.4314 10.2440 10.2440 11.3634 11.3634 12.7656 12.7656 13.5426 13.5426 14.7826 14.7826 k = 0.4247 0.4190-0.0000 ( 1927 PWs) bands (ev): -1.7649 -1.7649 -1.7561 -1.7561 -1.7139 -1.7139 -1.6976 -1.6976 0.2571 0.2571 0.3403 0.3403 0.3911 0.3911 0.4792 0.4792 0.6224 0.6224 0.8017 0.8017 5.4497 5.4497 6.4568 6.4568 10.2292 10.2292 11.4037 11.4037 12.8016 12.8016 13.4312 13.4312 14.7756 14.7756 k = 0.4194 0.4284-0.0000 ( 1933 PWs) bands (ev): -1.7645 -1.7645 -1.7525 -1.7525 -1.7137 -1.7137 -1.6966 -1.6966 0.2567 0.2567 0.3408 0.3408 0.3911 0.3911 0.4823 0.4823 0.6226 0.6226 0.7942 0.7942 5.4851 5.4851 6.4825 6.4825 10.2090 10.2090 11.4458 11.4458 12.8312 12.8312 13.3405 13.3405 14.7648 14.7648 k = 0.4140 0.4377-0.0000 ( 1933 PWs) bands (ev): -1.7643 -1.7643 -1.7490 -1.7490 -1.7134 -1.7134 -1.6955 -1.6955 0.2564 0.2564 0.3416 0.3416 0.3909 0.3909 0.4853 0.4853 0.6232 0.6232 0.7864 0.7864 5.5231 5.5231 6.5084 6.5084 10.1825 10.1825 11.4895 11.4895 12.8480 12.8480 13.2790 13.2790 14.7488 14.7488 k = 0.4086 0.4470-0.0000 ( 1937 PWs) bands (ev): -1.7640 -1.7640 -1.7455 -1.7455 -1.7131 -1.7131 -1.6944 -1.6944 0.2561 0.2561 0.3427 0.3427 0.3906 0.3906 0.4882 0.4882 0.6241 0.6241 0.7784 0.7784 5.5637 5.5637 6.5339 6.5339 10.1492 10.1492 11.5345 11.5345 12.8463 12.8463 13.2540 13.2540 14.7264 14.7264 k = 0.4032 0.4563-0.0000 ( 1937 PWs) bands (ev): -1.7639 -1.7639 -1.7423 -1.7423 -1.7128 -1.7128 -1.6933 -1.6933 0.2559 0.2559 0.3439 0.3439 0.3900 0.3900 0.4910 0.4910 0.6254 0.6254 0.7703 0.7703 5.6068 5.6068 6.5585 6.5585 10.1086 10.1086 11.5805 11.5805 12.8286 12.8286 13.2643 13.2643 14.6960 14.6960 k = 0.3978 0.4656-0.0000 ( 1937 PWs) bands (ev): -1.7637 -1.7637 -1.7391 -1.7391 -1.7124 -1.7124 -1.6922 -1.6922 0.2559 0.2559 0.3452 0.3452 0.3892 0.3892 0.4939 0.4939 0.6271 0.6271 0.7622 0.7622 5.6526 5.6526 6.5815 6.5815 10.0609 10.0609 11.6273 11.6273 12.8052 12.8052 13.3005 13.3005 14.6556 14.6556 k = 0.3925 0.4749-0.0000 ( 1943 PWs) bands (ev): -1.7637 -1.7637 -1.7363 -1.7363 -1.7119 -1.7119 -1.6912 -1.6912 0.2560 0.2560 0.3466 0.3466 0.3882 0.3882 0.4967 0.4967 0.6290 0.6290 0.7541 0.7541 5.7008 5.7008 6.6023 6.6023 10.0065 10.0065 11.6748 11.6748 12.7860 12.7860 13.3529 13.3529 14.6033 14.6033 k = 0.3871 0.4842-0.0000 ( 1947 PWs) bands (ev): -1.7636 -1.7636 -1.7338 -1.7338 -1.7114 -1.7114 -1.6902 -1.6902 0.2562 0.2562 0.3480 0.3480 0.3868 0.3868 0.4997 0.4997 0.6311 0.6311 0.7461 0.7461 5.7517 5.7517 6.6200 6.6200 9.9466 9.9466 11.7229 11.7229 12.7766 12.7766 13.4155 13.4155 14.5371 14.5371 k = 0.3817 0.4935-0.0000 ( 1943 PWs) bands (ev): -1.7636 -1.7636 -1.7316 -1.7316 -1.7107 -1.7107 -1.6893 -1.6893 0.2567 0.2567 0.3493 0.3493 0.3853 0.3853 0.5027 0.5027 0.6333 0.6333 0.7384 0.7384 5.8051 5.8051 6.6337 6.6337 9.8825 9.8825 11.7715 11.7715 12.7796 12.7796 13.4844 13.4844 14.4559 14.4559 k = 0.3763 0.5029-0.0000 ( 1939 PWs) bands (ev): -1.7636 -1.7636 -1.7298 -1.7298 -1.7098 -1.7098 -1.6884 -1.6884 0.2572 0.2572 0.3507 0.3507 0.3836 0.3836 0.5058 0.5058 0.6355 0.6355 0.7310 0.7310 5.8611 5.8611 6.6423 6.6423 9.8164 9.8164 11.8206 11.8206 12.7954 12.7954 13.5571 13.5571 14.3604 14.3604 k = 0.3710 0.5122-0.0000 ( 1935 PWs) bands (ev): -1.7636 -1.7636 -1.7284 -1.7284 -1.7089 -1.7089 -1.6877 -1.6877 0.2579 0.2579 0.3519 0.3519 0.3818 0.3818 0.5089 0.5089 0.6377 0.6377 0.7240 0.7240 5.9195 5.9195 6.6447 6.6447 9.7504 9.7504 11.8701 11.8701 12.8236 12.8236 13.6301 13.6301 14.2540 14.2540 k = 0.3656 0.5215-0.0000 ( 1939 PWs) bands (ev): -1.7637 -1.7637 -1.7273 -1.7273 -1.7079 -1.7079 -1.6870 -1.6870 0.2586 0.2586 0.3530 0.3530 0.3800 0.3800 0.5120 0.5120 0.6397 0.6397 0.7177 0.7177 5.9803 5.9803 6.6398 6.6398 9.6869 9.6869 11.9196 11.9196 12.8630 12.8630 13.6965 13.6965 14.1461 14.1461 k = 0.3602 0.5308-0.0000 ( 1939 PWs) bands (ev): -1.7637 -1.7637 -1.7266 -1.7266 -1.7069 -1.7069 -1.6864 -1.6864 0.2593 0.2593 0.3539 0.3539 0.3782 0.3782 0.5150 0.5150 0.6415 0.6415 0.7122 0.7122 6.0435 6.0435 6.6262 6.6262 9.6283 9.6283 11.9687 11.9687 12.9121 12.9121 13.7359 13.7359 14.0607 14.0607 k = 0.3548 0.5401-0.0000 ( 1943 PWs) bands (ev): -1.7637 -1.7637 -1.7261 -1.7261 -1.7060 -1.7060 -1.6860 -1.6860 0.2600 0.2600 0.3546 0.3546 0.3766 0.3766 0.5177 0.5177 0.6428 0.6428 0.7076 0.7076 6.1089 6.1089 6.6031 6.6031 9.5770 9.5770 12.0161 12.0161 12.9693 12.9693 13.7077 13.7077 14.0430 14.0430 k = 0.3495 0.5494-0.0000 ( 1939 PWs) bands (ev): -1.7637 -1.7637 -1.7258 -1.7258 -1.7053 -1.7053 -1.6856 -1.6856 0.2607 0.2607 0.3552 0.3552 0.3753 0.3753 0.5200 0.5200 0.6437 0.6437 0.7040 0.7040 6.1763 6.1763 6.5695 6.5695 9.5348 9.5348 12.0600 12.0600 13.0320 13.0320 13.6181 13.6181 14.0911 14.0912 k = 0.3441 0.5587-0.0000 ( 1933 PWs) bands (ev): -1.7637 -1.7637 -1.7256 -1.7256 -1.7047 -1.7047 -1.6853 -1.6853 0.2612 0.2612 0.3555 0.3555 0.3744 0.3744 0.5219 0.5219 0.6441 0.6441 0.7016 0.7016 6.2453 6.2453 6.5252 6.5252 9.5035 9.5035 12.0974 12.0974 13.0964 13.0964 13.5139 13.5139 14.1633 14.1633 k = 0.3387 0.5680-0.0000 ( 1937 PWs) bands (ev): -1.7638 -1.7638 -1.7255 -1.7255 -1.7044 -1.7044 -1.6851 -1.6851 0.2616 0.2616 0.3557 0.3557 0.3738 0.3738 0.5230 0.5230 0.6443 0.6443 0.7003 0.7003 6.3140 6.3140 6.4712 6.4712 9.4842 9.4842 12.1242 12.1242 13.1527 13.1527 13.4263 13.4263 14.2327 14.2327 k = 0.3333 0.5774-0.0000 ( 1941 PWs) bands (ev): -1.7638 -1.7638 -1.7255 -1.7255 -1.7042 -1.7042 -1.6851 -1.6851 0.2617 0.2617 0.3557 0.3557 0.3736 0.3736 0.5234 0.5234 0.6443 0.6443 0.6999 0.6999 6.3621 6.3621 6.4281 6.4281 9.4778 9.4778 12.1345 12.1345 13.1773 13.1773 13.3898 13.3898 14.2656 14.2656 k = 0.3333 0.5774-0.0000 ( 1941 PWs) bands (ev): -1.7638 -1.7638 -1.7255 -1.7255 -1.7042 -1.7042 -1.6851 -1.6851 0.2617 0.2617 0.3557 0.3557 0.3736 0.3736 0.5234 0.5234 0.6443 0.6443 0.6999 0.6999 6.3621 6.3621 6.4281 6.4281 9.4778 9.4778 12.1345 12.1345 13.1773 13.1773 13.3898 13.3898 14.2656 14.2656 k = 0.3279 0.5679-0.0000 ( 1941 PWs) bands (ev): -1.7638 -1.7638 -1.7255 -1.7255 -1.7044 -1.7044 -1.6852 -1.6852 0.2615 0.2615 0.3557 0.3557 0.3738 0.3738 0.5230 0.5230 0.6443 0.6443 0.7002 0.7002 6.3069 6.3069 6.4783 6.4783 9.4845 9.4845 12.1219 12.1219 13.1612 13.1612 13.4194 13.4194 14.2319 14.2319 k = 0.3224 0.5584-0.0000 ( 1929 PWs) bands (ev): -1.7637 -1.7637 -1.7255 -1.7255 -1.7047 -1.7047 -1.6853 -1.6853 0.2612 0.2612 0.3557 0.3557 0.3743 0.3743 0.5217 0.5217 0.6446 0.6446 0.7012 0.7012 6.2177 6.2177 6.5529 6.5529 9.5044 9.5044 12.0819 12.0819 13.1447 13.1447 13.4746 13.4746 14.1641 14.1641 k = 0.3169 0.5490-0.0000 ( 1939 PWs) bands (ev): -1.7638 -1.7638 -1.7256 -1.7256 -1.7053 -1.7053 -1.6856 -1.6856 0.2604 0.2604 0.3556 0.3556 0.3752 0.3752 0.5195 0.5195 0.6453 0.6453 0.7024 0.7024 6.1165 6.1165 6.6307 6.6307 9.5371 9.5371 12.0155 12.0155 13.1500 13.1500 13.5208 13.5208 14.1041 14.1041 k = 0.3115 0.5395-0.0000 ( 1937 PWs) bands (ev): -1.7638 -1.7638 -1.7255 -1.7255 -1.7061 -1.7061 -1.6861 -1.6861 0.2595 0.2595 0.3556 0.3556 0.3764 0.3764 0.5166 0.5166 0.6462 0.6462 0.7038 0.7038 6.0059 6.0059 6.7096 6.7096 9.5817 9.5817 11.9281 11.9281 13.1765 13.1765 13.5344 13.5344 14.0811 14.0811 k = 0.3060 0.5300-0.0000 ( 1937 PWs) bands (ev): -1.7638 -1.7638 -1.7254 -1.7254 -1.7071 -1.7071 -1.6867 -1.6867 0.2583 0.2583 0.3556 0.3556 0.3779 0.3779 0.5130 0.5130 0.6476 0.6476 0.7052 0.7052 5.8874 5.8874 6.7889 6.7889 9.6374 9.6374 11.8273 11.8273 13.2129 13.2129 13.5094 13.5094 14.1099 14.1099 k = 0.3005 0.5206-0.0000 ( 1937 PWs) bands (ev): -1.7638 -1.7638 -1.7253 -1.7253 -1.7082 -1.7082 -1.6874 -1.6874 0.2569 0.2569 0.3556 0.3556 0.3797 0.3797 0.5089 0.5089 0.6491 0.6491 0.7066 0.7066 5.7625 5.7625 6.8679 6.8679 9.7032 9.7032 11.7195 11.7195 13.2302 13.2302 13.4798 13.4798 14.1814 14.1814 k = 0.2951 0.5111-0.0000 ( 1937 PWs) bands (ev): -1.7639 -1.7639 -1.7250 -1.7250 -1.7095 -1.7095 -1.6882 -1.6882 0.2554 0.2554 0.3556 0.3556 0.3817 0.3817 0.5044 0.5044 0.6509 0.6509 0.7078 0.7078 5.6322 5.6322 6.9459 6.9459 9.7780 9.7780 11.6102 11.6102 13.1855 13.1855 13.5015 13.5015 14.2790 14.2790 k = 0.2896 0.5016-0.0000 ( 1933 PWs) bands (ev): -1.7640 -1.7640 -1.7247 -1.7247 -1.7109 -1.7109 -1.6891 -1.6891 0.2538 0.2538 0.3555 0.3555 0.3838 0.3838 0.4996 0.4996 0.6527 0.6527 0.7088 0.7088 5.4976 5.4976 7.0221 7.0221 9.8609 9.8609 11.5033 11.5033 13.0893 13.0893 13.5724 13.5724 14.3922 14.3922 k = 0.2842 0.4922-0.0000 ( 1937 PWs) bands (ev): -1.7641 -1.7641 -1.7243 -1.7243 -1.7124 -1.7124 -1.6902 -1.6902 0.2522 0.2522 0.3554 0.3554 0.3861 0.3861 0.4947 0.4947 0.6545 0.6545 0.7094 0.7094 5.3596 5.3596 7.0957 7.0957 9.9507 9.9507 11.4021 11.4021 12.9713 12.9713 13.6668 13.6668 14.5155 14.5155 k = 0.2787 0.4827-0.0000 ( 1937 PWs) bands (ev): -1.7643 -1.7643 -1.7238 -1.7238 -1.7138 -1.7138 -1.6914 -1.6914 0.2506 0.2506 0.3552 0.3552 0.3884 0.3884 0.4898 0.4898 0.6563 0.6563 0.7097 0.7097 5.2191 5.2191 7.1656 7.1656 10.0461 10.0461 11.3095 11.3095 12.8444 12.8444 13.7737 13.7737 14.6461 14.6461 k = 0.2732 0.4732-0.0000 ( 1933 PWs) bands (ev): -1.7645 -1.7645 -1.7234 -1.7234 -1.7153 -1.7153 -1.6926 -1.6926 0.2490 0.2490 0.3550 0.3550 0.3906 0.3906 0.4849 0.4849 0.6579 0.6579 0.7095 0.7095 5.0768 5.0768 7.2310 7.2310 10.1456 10.1456 11.2283 11.2283 12.7137 12.7137 13.8892 13.8892 14.7825 14.7825 k = 0.2678 0.4638-0.0000 ( 1927 PWs) bands (ev): -1.7648 -1.7648 -1.7230 -1.7230 -1.7165 -1.7165 -1.6940 -1.6940 0.2475 0.2475 0.3548 0.3548 0.3928 0.3928 0.4802 0.4802 0.6594 0.6594 0.7089 0.7089 4.9334 4.9334 7.2906 7.2906 10.2471 10.2471 11.1616 11.1616 12.5819 12.5819 14.0114 14.0114 14.9237 14.9237 k = 0.2623 0.4543-0.0000 ( 1935 PWs) bands (ev): -1.7652 -1.7652 -1.7230 -1.7230 -1.7174 -1.7174 -1.6954 -1.6954 0.2460 0.2460 0.3545 0.3545 0.3948 0.3948 0.4757 0.4757 0.6606 0.6606 0.7077 0.7077 4.7893 4.7893 7.3433 7.3433 10.3472 10.3472 11.1133 11.1133 12.4508 12.4508 14.1391 14.1391 15.0691 15.0691 k = 0.2568 0.4448-0.0000 ( 1935 PWs) bands (ev): -1.7655 -1.7655 -1.7236 -1.7236 -1.7176 -1.7176 -1.6968 -1.6968 0.2448 0.2448 0.3543 0.3543 0.3965 0.3965 0.4715 0.4715 0.6616 0.6616 0.7061 0.7061 4.6452 4.6452 7.3881 7.3881 10.4413 10.4413 11.0888 11.0888 12.3220 12.3220 14.2718 14.2718 15.2184 15.2184 k = 0.2514 0.4354-0.0000 ( 1935 PWs) bands (ev): -1.7660 -1.7660 -1.7248 -1.7248 -1.7172 -1.7172 -1.6983 -1.6983 0.2437 0.2437 0.3540 0.3540 0.3978 0.3978 0.4676 0.4676 0.6624 0.6624 0.7039 0.7039 4.5013 4.5013 7.4240 7.4240 10.5224 10.5224 11.0946 11.0946 12.1971 12.1971 14.4089 14.4089 15.3712 15.3712 k = 0.2459 0.4259-0.0000 ( 1939 PWs) bands (ev): -1.7665 -1.7665 -1.7263 -1.7263 -1.7165 -1.7165 -1.6997 -1.6997 0.2427 0.2427 0.3538 0.3538 0.3988 0.3988 0.4642 0.4642 0.6629 0.6629 0.7012 0.7012 4.3581 4.3581 7.4501 7.4501 10.5844 10.5844 11.1362 11.1362 12.0780 12.0780 14.5501 14.5501 15.5273 15.5273 k = 0.2404 0.4164-0.0000 ( 1939 PWs) bands (ev): -1.7670 -1.7670 -1.7279 -1.7279 -1.7157 -1.7157 -1.7010 -1.7010 0.2419 0.2419 0.3536 0.3536 0.3992 0.3992 0.4612 0.4612 0.6631 0.6631 0.6979 0.6979 4.2158 4.2158 7.4660 7.4660 10.6261 10.6261 11.2130 11.2130 11.9675 11.9675 14.6951 14.6951 15.6865 15.6865 k = 0.2350 0.4070-0.0000 ( 1939 PWs) bands (ev): -1.7676 -1.7676 -1.7295 -1.7295 -1.7149 -1.7149 -1.7021 -1.7021 0.2414 0.2414 0.3535 0.3535 0.3992 0.3992 0.4588 0.4588 0.6631 0.6631 0.6941 0.6941 4.0749 4.0749 7.4714 7.4714 10.6512 10.6512 11.3177 11.3177 11.8692 11.8692 14.8436 14.8436 15.8487 15.8487 k = 0.2295 0.3975-0.0000 ( 1941 PWs) bands (ev): -1.7681 -1.7681 -1.7312 -1.7312 -1.7145 -1.7145 -1.7028 -1.7028 0.2410 0.2410 0.3534 0.3534 0.3986 0.3986 0.4569 0.4569 0.6627 0.6627 0.6898 0.6898 3.9355 3.9355 7.4666 7.4666 10.6634 10.6634 11.4408 11.4408 11.7889 11.7889 14.9955 14.9955 16.0138 16.0138 k = 0.2240 0.3881-0.0000 ( 1933 PWs) bands (ev): -1.7688 -1.7688 -1.7328 -1.7328 -1.7144 -1.7144 -1.7031 -1.7031 0.2408 0.2408 0.3534 0.3534 0.3974 0.3974 0.4554 0.4554 0.6620 0.6620 0.6851 0.6851 3.7978 3.7978 7.4521 7.4521 10.6627 10.6627 11.5696 11.5696 11.7389 11.7389 15.1506 15.1506 16.1815 16.1815 k = 0.2186 0.3786-0.0000 ( 1933 PWs) bands (ev): -1.7694 -1.7694 -1.7344 -1.7344 -1.7149 -1.7149 -1.7029 -1.7029 0.2409 0.2409 0.3534 0.3534 0.3959 0.3959 0.4544 0.4544 0.6608 0.6608 0.6801 0.6801 3.6621 3.6621 7.4285 7.4285 10.6460 10.6460 11.6500 11.6500 11.7757 11.7757 15.3086 15.3086 16.3519 16.3519 k = 0.2131 0.3691-0.0000 ( 1929 PWs) bands (ev): -1.7700 -1.7700 -1.7360 -1.7360 -1.7159 -1.7159 -1.7022 -1.7022 0.2411 0.2411 0.3535 0.3535 0.3939 0.3939 0.4538 0.4538 0.6588 0.6588 0.6753 0.6753 3.5285 3.5285 7.3970 7.3970 10.6103 10.6103 11.6692 11.6692 11.9141 11.9141 15.4694 15.4694 16.5248 16.5248 k = 0.2077 0.3597-0.0000 ( 1933 PWs) bands (ev): -1.7707 -1.7707 -1.7375 -1.7375 -1.7172 -1.7172 -1.7012 -1.7012 0.2415 0.2415 0.3537 0.3537 0.3916 0.3916 0.4533 0.4533 0.6557 0.6557 0.6710 0.6710 3.3972 3.3972 7.3585 7.3585 10.5551 10.5551 11.7058 11.7058 12.0747 12.0747 15.6327 15.6327 16.7001 16.7001 k = 0.2022 0.3502-0.0000 ( 1931 PWs) bands (ev): -1.7714 -1.7714 -1.7390 -1.7390 -1.7187 -1.7187 -1.7001 -1.7001 0.2422 0.2422 0.3540 0.3540 0.3890 0.3890 0.4531 0.4531 0.6509 0.6509 0.6678 0.6678 3.2683 3.2683 7.3142 7.3142 10.4829 10.4829 11.7700 11.7700 12.2438 12.2438 15.7985 15.7985 16.8777 16.8777 k = 0.1967 0.3407-0.0000 ( 1927 PWs) bands (ev): -1.7720 -1.7720 -1.7405 -1.7405 -1.7203 -1.7203 -1.6989 -1.6989 0.2430 0.2430 0.3543 0.3543 0.3863 0.3863 0.4529 0.4529 0.6446 0.6446 0.6656 0.6656 3.1420 3.1420 7.2652 7.2652 10.3977 10.3977 11.8592 11.8592 12.4188 12.4188 15.9666 15.9666 17.0575 17.0575 k = 0.1913 0.3313-0.0000 ( 1927 PWs) bands (ev): -1.7727 -1.7727 -1.7418 -1.7418 -1.7220 -1.7220 -1.6977 -1.6977 0.2440 0.2440 0.3547 0.3547 0.3836 0.3836 0.4527 0.4527 0.6374 0.6374 0.6640 0.6640 3.0184 3.0184 7.2125 7.2125 10.3035 10.3035 11.9691 11.9691 12.5986 12.5986 16.1366 16.1366 17.2393 17.2393 k = 0.1858 0.3218-0.0000 ( 1923 PWs) bands (ev): -1.7734 -1.7734 -1.7432 -1.7432 -1.7238 -1.7238 -1.6965 -1.6965 0.2452 0.2452 0.3550 0.3550 0.3808 0.3808 0.4524 0.4524 0.6294 0.6294 0.6628 0.6628 2.8975 2.8975 7.1570 7.1570 10.2035 10.2035 12.0963 12.0963 12.7828 12.7828 16.3084 16.3084 17.4231 17.4231 k = 0.1803 0.3123-0.0000 ( 1919 PWs) bands (ev): -1.7740 -1.7740 -1.7444 -1.7444 -1.7256 -1.7256 -1.6954 -1.6954 0.2466 0.2466 0.3554 0.3554 0.3781 0.3781 0.4520 0.4520 0.6210 0.6210 0.6619 0.6619 2.7796 2.7796 7.0996 7.0996 10.1000 10.1000 12.2377 12.2377 12.9709 12.9709 16.4818 16.4818 17.6086 17.6086 k = 0.1749 0.3029-0.0000 ( 1923 PWs) bands (ev): -1.7747 -1.7747 -1.7457 -1.7457 -1.7275 -1.7275 -1.6945 -1.6945 0.2481 0.2481 0.3556 0.3556 0.3756 0.3756 0.4514 0.4514 0.6122 0.6122 0.6612 0.6612 2.6646 2.6646 7.0410 7.0410 9.9946 9.9946 12.3911 12.3911 13.1626 13.1626 16.6564 16.6564 17.7957 17.7957 k = 0.1694 0.2934-0.0000 ( 1923 PWs) bands (ev): -1.7753 -1.7753 -1.7469 -1.7469 -1.7294 -1.7294 -1.6937 -1.6937 0.2498 0.2498 0.3556 0.3556 0.3734 0.3734 0.4506 0.4506 0.6031 0.6031 0.6607 0.6607 2.5527 2.5527 6.9818 6.9818 9.8885 9.8885 12.5548 12.5548 13.3577 13.3577 16.8320 16.8320 17.9842 17.9842 k = 0.1639 0.2839-0.0000 ( 1929 PWs) bands (ev): -1.7760 -1.7760 -1.7480 -1.7480 -1.7313 -1.7313 -1.6930 -1.6930 0.2516 0.2516 0.3552 0.3552 0.3716 0.3716 0.4495 0.4495 0.5939 0.5939 0.6606 0.6606 2.4439 2.4439 6.9225 6.9225 9.7826 9.7826 12.7273 12.7273 13.5559 13.5559 17.0082 17.0082 18.1738 18.1738 k = 0.1585 0.2745-0.0000 ( 1929 PWs) bands (ev): -1.7766 -1.7766 -1.7491 -1.7491 -1.7332 -1.7332 -1.6926 -1.6926 0.2536 0.2536 0.3543 0.3543 0.3704 0.3704 0.4482 0.4482 0.5846 0.5846 0.6607 0.6607 2.3383 2.3383 6.8637 6.8637 9.6776 9.6776 12.9076 12.9076 13.7570 13.7570 17.1847 17.1847 18.3642 18.3642 k = 0.1530 0.2650-0.0000 ( 1925 PWs) bands (ev): -1.7772 -1.7772 -1.7502 -1.7502 -1.7352 -1.7352 -1.6923 -1.6923 0.2557 0.2557 0.3530 0.3530 0.3698 0.3698 0.4465 0.4465 0.5752 0.5752 0.6611 0.6611 2.2360 2.2360 6.8056 6.8056 9.5740 9.5740 13.0947 13.0947 13.9609 13.9609 17.3610 17.3610 18.5549 18.5549 k = 0.1475 0.2555-0.0000 ( 1925 PWs) bands (ev): -1.7778 -1.7778 -1.7513 -1.7513 -1.7372 -1.7372 -1.6922 -1.6922 0.2579 0.2579 0.3511 0.3511 0.3698 0.3698 0.4445 0.4445 0.5659 0.5659 0.6619 0.6619 2.1371 2.1371 6.7486 6.7486 9.4720 9.4720 13.2879 13.2879 14.1673 14.1673 17.5367 17.5367 18.7456 18.7456 k = 0.1421 0.2461-0.0000 ( 1917 PWs) bands (ev): -1.7784 -1.7784 -1.7523 -1.7523 -1.7391 -1.7391 -1.6923 -1.6923 0.2602 0.2602 0.3491 0.3491 0.3702 0.3702 0.4422 0.4422 0.5568 0.5568 0.6630 0.6630 2.0415 2.0415 6.6930 6.6930 9.3721 9.3721 13.4866 13.4866 14.3761 14.3761 17.7113 17.7113 18.9355 18.9355 k = 0.1366 0.2366-0.0000 ( 1911 PWs) bands (ev): -1.7790 -1.7790 -1.7533 -1.7533 -1.7411 -1.7411 -1.6926 -1.6926 0.2626 0.2626 0.3468 0.3468 0.3708 0.3708 0.4394 0.4394 0.5477 0.5477 0.6645 0.6645 1.9493 1.9493 6.6389 6.6389 9.2744 9.2744 13.6900 13.6900 14.5870 14.5870 17.8841 17.8841 19.1238 19.1238 k = 0.1311 0.2272-0.0000 ( 1915 PWs) bands (ev): -1.7795 -1.7795 -1.7543 -1.7543 -1.7431 -1.7431 -1.6931 -1.6931 0.2651 0.2651 0.3445 0.3445 0.3715 0.3715 0.4363 0.4363 0.5389 0.5389 0.6663 0.6663 1.8607 1.8607 6.5866 6.5866 9.1793 9.1793 13.8977 13.8977 14.7998 14.7998 18.0544 18.0544 19.3095 19.3095 k = 0.1257 0.2177-0.0000 ( 1911 PWs) bands (ev): -1.7800 -1.7800 -1.7554 -1.7554 -1.7451 -1.7451 -1.6938 -1.6938 0.2676 0.2676 0.3423 0.3423 0.3724 0.3724 0.4328 0.4328 0.5304 0.5304 0.6686 0.6686 1.7755 1.7755 6.5361 6.5361 9.0868 9.0868 14.1092 14.1092 15.0144 15.0144 18.2217 18.2217 19.4911 19.4911 k = 0.1202 0.2082-0.0000 ( 1907 PWs) bands (ev): -1.7805 -1.7805 -1.7564 -1.7564 -1.7471 -1.7471 -1.6948 -1.6948 0.2701 0.2701 0.3401 0.3401 0.3733 0.3733 0.4290 0.4290 0.5221 0.5221 0.6712 0.6712 1.6939 1.6939 6.4877 6.4877 8.9972 8.9972 14.3240 14.3240 15.2306 15.2306 18.3849 18.3849 19.6670 19.6670 k = 0.1148 0.1988-0.0000 ( 1907 PWs) bands (ev): -1.7810 -1.7810 -1.7575 -1.7575 -1.7490 -1.7490 -1.6959 -1.6959 0.2726 0.2726 0.3380 0.3380 0.3742 0.3742 0.4248 0.4248 0.5141 0.5141 0.6742 0.6742 1.6159 1.6159 6.4413 6.4413 8.9105 8.9105 14.5415 14.5415 15.4480 15.4480 18.5433 18.5433 19.8348 19.8348 k = 0.1093 0.1893-0.0000 ( 1911 PWs) bands (ev): -1.7815 -1.7815 -1.7586 -1.7586 -1.7509 -1.7509 -1.6971 -1.6971 0.2752 0.2752 0.3361 0.3361 0.3751 0.3751 0.4203 0.4203 0.5064 0.5064 0.6774 0.6774 1.5415 1.5415 6.3970 6.3970 8.8270 8.8270 14.7614 14.7614 15.6664 15.6664 18.6958 18.6958 19.9919 19.9919 k = 0.1038 0.1798-0.0000 ( 1913 PWs) bands (ev): -1.7820 -1.7820 -1.7598 -1.7598 -1.7528 -1.7528 -1.6985 -1.6985 0.2776 0.2776 0.3345 0.3345 0.3760 0.3760 0.4157 0.4157 0.4990 0.4990 0.6810 0.6810 1.4708 1.4708 6.3549 6.3549 8.7468 8.7468 14.9830 14.9830 15.8857 15.8857 18.8415 18.8415 20.1354 20.1354 k = 0.0984 0.1704-0.0000 ( 1905 PWs) bands (ev): -1.7824 -1.7824 -1.7611 -1.7611 -1.7545 -1.7545 -1.7001 -1.7001 0.2800 0.2800 0.3331 0.3331 0.3768 0.3768 0.4108 0.4108 0.4920 0.4920 0.6848 0.6848 1.4037 1.4037 6.3150 6.3150 8.6699 8.6699 15.2059 15.2059 16.1054 16.1054 18.9791 18.9791 20.2623 20.2623 k = 0.0929 0.1609-0.0000 ( 1907 PWs) bands (ev): -1.7828 -1.7828 -1.7625 -1.7625 -1.7561 -1.7561 -1.7017 -1.7017 0.2823 0.2823 0.3320 0.3320 0.3775 0.3775 0.4058 0.4058 0.4853 0.4853 0.6889 0.6889 1.3404 1.3404 6.2773 6.2773 8.5965 8.5965 15.4294 15.4294 16.3253 16.3253 19.1077 19.1077 20.3707 20.3707 k = 0.0874 0.1514-0.0000 ( 1907 PWs) bands (ev): -1.7832 -1.7832 -1.7640 -1.7640 -1.7576 -1.7576 -1.7035 -1.7035 0.2845 0.2845 0.3312 0.3312 0.3781 0.3781 0.4008 0.4008 0.4788 0.4788 0.6930 0.6930 1.2807 1.2807 6.2418 6.2418 8.5267 8.5267 15.6528 15.6528 16.5450 16.5450 19.2263 19.2263 20.4605 20.4605 k = 0.0820 0.1420-0.0000 ( 1905 PWs) bands (ev): -1.7835 -1.7835 -1.7656 -1.7656 -1.7589 -1.7589 -1.7052 -1.7052 0.2865 0.2865 0.3308 0.3308 0.3786 0.3786 0.3958 0.3958 0.4726 0.4726 0.6974 0.6974 1.2247 1.2247 6.2086 6.2086 8.4606 8.4606 15.8753 15.8753 16.7642 16.7642 19.3340 19.3340 20.5334 20.5334 k = 0.0765 0.1325-0.0000 ( 1899 PWs) bands (ev): -1.7838 -1.7838 -1.7673 -1.7673 -1.7602 -1.7602 -1.7070 -1.7070 0.2883 0.2883 0.3307 0.3307 0.3789 0.3789 0.3909 0.3909 0.4667 0.4667 0.7017 0.7017 1.1725 1.1725 6.1777 6.1777 8.3983 8.3983 16.0961 16.0961 16.9823 16.9823 19.4301 19.4301 20.5930 20.5930 k = 0.0710 0.1230-0.0000 ( 1895 PWs) bands (ev): -1.7842 -1.7842 -1.7690 -1.7690 -1.7614 -1.7614 -1.7088 -1.7088 0.2899 0.2899 0.3311 0.3311 0.3788 0.3788 0.3862 0.3862 0.4611 0.4611 0.7061 0.7061 1.1239 1.1239 6.1490 6.1490 8.3398 8.3398 16.3141 16.3141 17.1990 17.1990 19.5145 19.5145 20.6433 20.6433 k = 0.0656 0.1136-0.0000 ( 1895 PWs) bands (ev): -1.7845 -1.7845 -1.7706 -1.7706 -1.7625 -1.7625 -1.7106 -1.7106 0.2913 0.2913 0.3319 0.3319 0.3779 0.3779 0.3824 0.3824 0.4558 0.4558 0.7105 0.7105 1.0791 1.0791 6.1224 6.1224 8.2853 8.2853 16.5279 16.5279 17.4137 17.4137 19.5871 19.5871 20.6885 20.6885 k = 0.0601 0.1041-0.0000 ( 1891 PWs) bands (ev): -1.7847 -1.7847 -1.7723 -1.7723 -1.7636 -1.7636 -1.7123 -1.7123 0.2925 0.2925 0.3330 0.3330 0.3750 0.3750 0.3806 0.3806 0.4507 0.4507 0.7147 0.7147 1.0381 1.0381 6.0981 6.0981 8.2348 8.2348 16.7362 16.7362 17.6258 17.6258 19.6484 19.6484 20.7320 20.7320 k = 0.0546 0.0946-0.0000 ( 1891 PWs) bands (ev): -1.7850 -1.7850 -1.7738 -1.7738 -1.7646 -1.7646 -1.7139 -1.7139 0.2936 0.2936 0.3345 0.3345 0.3710 0.3710 0.3798 0.3798 0.4460 0.4460 0.7188 0.7188 1.0007 1.0007 6.0760 6.0760 8.1885 8.1885 16.9370 16.9370 17.8346 17.8346 19.6993 19.6993 20.7766 20.7766 k = 0.0492 0.0852-0.0000 ( 1891 PWs) bands (ev): -1.7853 -1.7853 -1.7753 -1.7753 -1.7656 -1.7656 -1.7154 -1.7154 0.2945 0.2945 0.3362 0.3362 0.3670 0.3670 0.3790 0.3790 0.4416 0.4416 0.7226 0.7226 0.9670 0.9670 6.0561 6.0561 8.1463 8.1463 17.1285 17.1285 18.0393 18.0393 19.7405 19.7405 20.8244 20.8244 k = 0.0437 0.0757-0.0000 ( 1889 PWs) bands (ev): -1.7855 -1.7855 -1.7766 -1.7766 -1.7665 -1.7665 -1.7168 -1.7168 0.2954 0.2954 0.3382 0.3382 0.3632 0.3632 0.3780 0.3780 0.4377 0.4377 0.7262 0.7262 0.9369 0.9369 6.0383 6.0383 8.1084 8.1084 17.3083 17.3083 18.2391 18.2391 19.7730 19.7730 20.8773 20.8773 k = 0.0383 0.0663-0.0000 ( 1897 PWs) bands (ev): -1.7857 -1.7857 -1.7779 -1.7779 -1.7674 -1.7674 -1.7181 -1.7181 0.2961 0.2961 0.3404 0.3404 0.3596 0.3596 0.3768 0.3768 0.4341 0.4341 0.7295 0.7295 0.9105 0.9105 6.0226 6.0226 8.0748 8.0748 17.4739 17.4739 18.4325 18.4325 19.7975 19.7975 20.9367 20.9367 k = 0.0328 0.0568-0.0000 ( 1897 PWs) bands (ev): -1.7860 -1.7860 -1.7790 -1.7790 -1.7681 -1.7681 -1.7192 -1.7192 0.2968 0.2968 0.3428 0.3428 0.3564 0.3564 0.3753 0.3753 0.4311 0.4311 0.7325 0.7325 0.8877 0.8877 6.0091 6.0091 8.0456 8.0456 17.6229 17.6229 18.6180 18.6180 19.8143 19.8143 21.0039 21.0039 k = 0.0273 0.0473-0.0000 ( 1901 PWs) bands (ev): -1.7862 -1.7862 -1.7799 -1.7799 -1.7688 -1.7688 -1.7201 -1.7201 0.2974 0.2974 0.3452 0.3452 0.3537 0.3537 0.3736 0.3736 0.4285 0.4285 0.7351 0.7351 0.8684 0.8684 5.9977 5.9977 8.0208 8.0208 17.7529 17.7529 18.7932 18.7932 19.8231 19.8231 21.0796 21.0796 k = 0.0219 0.0379-0.0000 ( 1909 PWs) bands (ev): -1.7864 -1.7864 -1.7806 -1.7806 -1.7694 -1.7694 -1.7209 -1.7209 0.2979 0.2979 0.3476 0.3476 0.3513 0.3513 0.3716 0.3716 0.4264 0.4264 0.7372 0.7372 0.8527 0.8527 5.9883 5.9883 8.0004 8.0004 17.8618 17.8618 18.9547 18.9547 19.8238 19.8238 21.1640 21.1640 k = 0.0164 0.0284-0.0000 ( 1913 PWs) bands (ev): -1.7865 -1.7865 -1.7812 -1.7812 -1.7699 -1.7699 -1.7216 -1.7216 0.2984 0.2984 0.3491 0.3491 0.3504 0.3504 0.3696 0.3696 0.4247 0.4247 0.7390 0.7390 0.8406 0.8406 5.9811 5.9811 7.9846 7.9846 17.9478 17.9478 19.0976 19.0976 19.8163 19.8163 21.2556 21.2556 k = 0.0109 0.0189-0.0000 ( 1911 PWs) bands (ev): -1.7867 -1.7867 -1.7816 -1.7816 -1.7703 -1.7703 -1.7220 -1.7220 0.2988 0.2988 0.3479 0.3479 0.3525 0.3525 0.3675 0.3675 0.4236 0.4236 0.7403 0.7403 0.8319 0.8319 5.9759 5.9759 7.9732 7.9732 18.0100 18.0100 19.2146 19.2146 19.8022 19.8022 21.3506 21.3506 k = 0.0055 0.0095-0.0000 ( 1911 PWs) bands (ev): -1.7867 -1.7867 -1.7818 -1.7818 -1.7705 -1.7705 -1.7223 -1.7223 0.2990 0.2990 0.3471 0.3471 0.3543 0.3543 0.3658 0.3658 0.4229 0.4229 0.7410 0.7410 0.8266 0.8266 5.9728 5.9728 7.9664 7.9664 18.0475 18.0475 19.2946 19.2946 19.7868 19.7868 21.4370 21.4370 k = 0.0000 0.0000 0.0000 ( 1913 PWs) bands (ev): -1.7868 -1.7868 -1.7819 -1.7819 -1.7705 -1.7705 -1.7224 -1.7224 0.2991 0.2991 0.3468 0.3468 0.3551 0.3551 0.3651 0.3651 0.4227 0.4227 0.7413 0.7413 0.8249 0.8249 5.9718 5.9718 7.9641 7.9641 18.0600 18.0600 19.3237 19.3237 19.7797 19.7797 21.4787 21.4787 k = 0.0000 0.0000 0.0000 ( 1913 PWs) bands (ev): -1.7868 -1.7868 -1.7819 -1.7819 -1.7705 -1.7705 -1.7224 -1.7224 0.2991 0.2991 0.3468 0.3468 0.3551 0.3551 0.3651 0.3651 0.4227 0.4227 0.7413 0.7413 0.8249 0.8249 5.9718 5.9718 7.9641 7.9641 18.0600 18.0600 19.3237 19.3237 19.7797 19.7797 21.4787 21.4787 k = 0.0000 0.0000 0.0108 ( 1913 PWs) bands (ev): -1.7867 -1.7867 -1.7819 -1.7819 -1.7706 -1.7706 -1.7224 -1.7224 0.2985 0.2985 0.3476 0.3476 0.3516 0.3516 0.3685 0.3685 0.4230 0.4230 0.7411 0.7411 0.8265 0.8265 5.9521 5.9521 7.9870 7.9870 18.0613 18.0613 19.3189 19.3189 19.7812 19.7812 21.4788 21.4788 k = 0.0000 0.0000 0.0216 ( 1907 PWs) bands (ev): -1.7864 -1.7864 -1.7820 -1.7820 -1.7706 -1.7706 -1.7223 -1.7223 0.2968 0.2968 0.3456 0.3456 0.3499 0.3499 0.3744 0.3744 0.4237 0.4237 0.7405 0.7405 0.8313 0.8313 5.8956 5.8956 8.0530 8.0530 18.0652 18.0652 19.3044 19.3044 19.7855 19.7855 21.4791 21.4791 k = 0.0000 0.0000 0.0325 ( 1907 PWs) bands (ev): -1.7859 -1.7859 -1.7821 -1.7821 -1.7706 -1.7706 -1.7224 -1.7224 0.2942 0.2942 0.3390 0.3390 0.3534 0.3534 0.3807 0.3807 0.4249 0.4249 0.7394 0.7394 0.8394 0.8394 5.8085 5.8085 8.1560 8.1560 18.0717 18.0717 19.2799 19.2799 19.7928 19.7928 21.4795 21.4795 k = 0.0000 0.0000 0.0433 ( 1906 PWs) bands (ev): -1.7853 -1.7853 -1.7822 -1.7822 -1.7707 -1.7707 -1.7224 -1.7224 0.2911 0.2911 0.3323 0.3323 0.3577 0.3577 0.3870 0.3870 0.4267 0.4267 0.7378 0.7378 0.8507 0.8507 5.6983 5.6983 8.2884 8.2884 18.0808 18.0808 19.2449 19.2449 19.8030 19.8030 21.4794 21.4794 k = 0.0000 0.0000 0.0541 ( 1918 PWs) bands (ev): -1.7845 -1.7845 -1.7823 -1.7823 -1.7708 -1.7708 -1.7225 -1.7225 0.2878 0.2878 0.3256 0.3256 0.3626 0.3626 0.3932 0.3932 0.4289 0.4289 0.7359 0.7359 0.8654 0.8654 5.5716 5.5716 8.4436 8.4436 18.0924 18.0924 19.1988 19.1988 19.8160 19.8160 21.4781 21.4781 k = 0.0000 0.0000 0.0649 ( 1924 PWs) bands (ev): -1.7835 -1.7835 -1.7825 -1.7825 -1.7710 -1.7710 -1.7226 -1.7226 0.2842 0.2842 0.3190 0.3190 0.3679 0.3679 0.3993 0.3993 0.4316 0.4316 0.7335 0.7335 0.8835 0.8835 5.4338 5.4338 8.6163 8.6163 18.1067 18.1067 19.1408 19.1408 19.8320 19.8320 21.4731 21.4731 k = 0.0000 0.0000 0.0757 ( 1924 PWs) bands (ev): -1.7827 -1.7827 -1.7824 -1.7824 -1.7711 -1.7711 -1.7227 -1.7227 0.2806 0.2806 0.3124 0.3124 0.3735 0.3735 0.4052 0.4052 0.4347 0.4347 0.7307 0.7307 0.9050 0.9050 5.2887 5.2887 8.8026 8.8026 18.1234 18.1234 19.0697 19.0697 19.8507 19.8507 21.4570 21.4570 k = 0.0000 0.0000 0.0866 ( 1918 PWs) bands (ev): -1.7828 -1.7828 -1.7810 -1.7810 -1.7713 -1.7713 -1.7228 -1.7228 0.2770 0.2770 0.3059 0.3059 0.3791 0.3791 0.4109 0.4109 0.4383 0.4383 0.7275 0.7275 0.9300 0.9300 5.1391 5.1391 8.9997 8.9997 18.1427 18.1427 18.9843 18.9843 19.8722 19.8722 21.4020 21.4020 k = 0.0000 0.0000 0.0974 ( 1894 PWs) bands (ev): -1.7830 -1.7830 -1.7796 -1.7796 -1.7715 -1.7715 -1.7229 -1.7229 0.2735 0.2735 0.2997 0.2997 0.3848 0.3848 0.4164 0.4164 0.4424 0.4424 0.7240 0.7240 0.9586 0.9586 4.9868 4.9868 9.2058 9.2058 18.1646 18.1646 18.8833 18.8833 19.8965 19.8965 21.2716 21.2716 k = 0.0000 0.0000 0.1082 ( 1906 PWs) bands (ev): -1.7832 -1.7832 -1.7781 -1.7781 -1.7718 -1.7718 -1.7232 -1.7232 0.2700 0.2700 0.2936 0.2936 0.3904 0.3904 0.4215 0.4215 0.4468 0.4468 0.7199 0.7199 0.9908 0.9908 4.8334 4.8334 9.4192 9.4192 18.1889 18.1889 18.7654 18.7654 19.9236 19.9236 21.1009 21.1009 k = 0.0000 0.0000 0.1190 ( 1906 PWs) bands (ev): -1.7834 -1.7834 -1.7764 -1.7764 -1.7721 -1.7721 -1.7234 -1.7234 0.2665 0.2665 0.2876 0.2876 0.3960 0.3960 0.4265 0.4265 0.4517 0.4517 0.7155 0.7155 1.0266 1.0266 4.6799 4.6799 9.6390 9.6390 18.2157 18.2157 18.6295 18.6295 19.9532 19.9532 20.9248 20.9248 k = 0.0000 0.0000 0.1298 ( 1906 PWs) bands (ev): -1.7836 -1.7836 -1.7746 -1.7746 -1.7724 -1.7724 -1.7237 -1.7237 0.2632 0.2632 0.2819 0.2819 0.4014 0.4014 0.4311 0.4311 0.4570 0.4570 0.7107 0.7107 1.0661 1.0661 4.5270 4.5270 9.8644 9.8644 18.2449 18.2449 18.4750 18.4750 19.9855 19.9855 20.7546 20.7546 k = 0.0000 0.0000 0.1407 ( 1906 PWs) bands (ev): -1.7838 -1.7838 -1.7728 -1.7728 -1.7727 -1.7727 -1.7240 -1.7240 0.2600 0.2600 0.2764 0.2764 0.4066 0.4066 0.4355 0.4355 0.4626 0.4626 0.7056 0.7056 1.1094 1.1094 4.3753 4.3753 10.0949 10.0949 18.2766 18.2766 18.3019 18.3019 20.0203 20.0203 20.5946 20.5946 k = 0.0000 0.0000 0.1515 ( 1894 PWs) bands (ev): -1.7839 -1.7839 -1.7732 -1.7732 -1.7707 -1.7707 -1.7244 -1.7244 0.2568 0.2568 0.2712 0.2712 0.4117 0.4117 0.4396 0.4396 0.4687 0.4687 0.7001 0.7001 1.1563 1.1563 4.2253 4.2253 10.3298 10.3298 18.1111 18.1111 18.3106 18.3106 20.0576 20.0576 20.4461 20.4461 k = 0.0000 0.0000 0.1623 ( 1888 PWs) bands (ev): -1.7840 -1.7840 -1.7736 -1.7736 -1.7687 -1.7687 -1.7248 -1.7248 0.2538 0.2538 0.2662 0.2662 0.4165 0.4165 0.4433 0.4433 0.4751 0.4751 0.6943 0.6943 1.2070 1.2070 4.0772 4.0772 10.5689 10.5689 17.9039 17.9039 18.3470 18.3470 20.0973 20.0973 20.3094 20.3094 k = 0.0000 0.0000 0.1731 ( 1888 PWs) bands (ev): -1.7840 -1.7840 -1.7741 -1.7741 -1.7666 -1.7666 -1.7254 -1.7254 0.2510 0.2510 0.2616 0.2616 0.4212 0.4212 0.4467 0.4467 0.4817 0.4817 0.6881 0.6881 1.2614 1.2614 3.9314 3.9314 10.8118 10.8118 17.6820 17.6820 18.3856 18.3856 20.1393 20.1393 20.1838 20.1838 k = 0.0000 0.0000 0.1840 ( 1888 PWs) bands (ev): -1.7841 -1.7841 -1.7746 -1.7746 -1.7644 -1.7644 -1.7259 -1.7259 0.2482 0.2482 0.2572 0.2572 0.4256 0.4256 0.4498 0.4498 0.4887 0.4887 0.6817 0.6817 1.3196 1.3196 3.7881 3.7881 11.0583 11.0583 17.4476 17.4476 18.4266 18.4266 20.0679 20.0679 20.1835 20.1835 k = 0.0000 0.0000 0.1948 ( 1888 PWs) bands (ev): -1.7841 -1.7841 -1.7751 -1.7751 -1.7623 -1.7623 -1.7266 -1.7266 0.2456 0.2456 0.2531 0.2531 0.4298 0.4298 0.4525 0.4525 0.4960 0.4960 0.6749 0.6749 1.3815 1.3815 3.6475 3.6475 11.3081 11.3081 17.2027 17.2027 18.4698 18.4698 19.9607 19.9607 20.2298 20.2298 k = 0.0000 0.0000 0.2056 ( 1888 PWs) bands (ev): -1.7840 -1.7840 -1.7756 -1.7756 -1.7601 -1.7601 -1.7274 -1.7274 0.2432 0.2432 0.2494 0.2494 0.4338 0.4338 0.4549 0.4549 0.5035 0.5035 0.6679 0.6679 1.4471 1.4471 3.5096 3.5096 11.5611 11.5611 16.9494 16.9494 18.5151 18.5151 19.8606 19.8606 20.2781 20.2781 k = 0.0000 0.0000 0.2164 ( 1888 PWs) bands (ev): -1.7839 -1.7839 -1.7762 -1.7762 -1.7579 -1.7579 -1.7282 -1.7282 0.2409 0.2409 0.2460 0.2460 0.4376 0.4376 0.4569 0.4569 0.5112 0.5112 0.6606 0.6606 1.5164 1.5164 3.3747 3.3747 11.8171 11.8171 16.6892 16.6892 18.5626 18.5626 19.7666 19.7666 20.3282 20.3282 k = 0.0000 0.0000 0.2272 ( 1888 PWs) bands (ev): -1.7838 -1.7838 -1.7768 -1.7768 -1.7557 -1.7557 -1.7291 -1.7291 0.2389 0.2389 0.2430 0.2430 0.4411 0.4411 0.4586 0.4586 0.5192 0.5192 0.6531 0.6531 1.5894 1.5894 3.2427 3.2427 12.0758 12.0758 16.4237 16.4237 18.6122 18.6122 19.6776 19.6776 20.3801 20.3801 k = 0.0000 0.0000 0.2381 ( 1888 PWs) bands (ev): -1.7836 -1.7836 -1.7773 -1.7773 -1.7536 -1.7536 -1.7301 -1.7301 0.2370 0.2370 0.2403 0.2403 0.4444 0.4444 0.4599 0.4599 0.5273 0.5273 0.6453 0.6453 1.6661 1.6661 3.1139 3.1139 12.3372 12.3372 16.1542 16.1542 18.6638 18.6638 19.5929 19.5929 20.4335 20.4335 k = 0.0000 0.0000 0.2489 ( 1900 PWs) bands (ev): -1.7834 -1.7834 -1.7779 -1.7779 -1.7515 -1.7515 -1.7313 -1.7313 0.2354 0.2354 0.2379 0.2379 0.4474 0.4474 0.4609 0.4609 0.5356 0.5356 0.6374 0.6374 1.7464 1.7464 2.9883 2.9883 12.6011 12.6011 15.8817 15.8817 18.7174 18.7174 19.5118 19.5118 20.4883 20.4883 k = 0.0000 0.0000 0.2597 ( 1900 PWs) bands (ev): -1.7831 -1.7831 -1.7785 -1.7785 -1.7494 -1.7494 -1.7325 -1.7325 0.2340 0.2340 0.2359 0.2359 0.4501 0.4501 0.4615 0.4615 0.5440 0.5440 0.6293 0.6293 1.8304 1.8304 2.8659 2.8659 12.8673 12.8673 15.6072 15.6072 18.7729 18.7729 19.4337 19.4337 20.5444 20.5444 k = 0.0000 0.0000 0.2705 ( 1906 PWs) bands (ev): -1.7828 -1.7828 -1.7791 -1.7791 -1.7474 -1.7474 -1.7338 -1.7338 0.2328 0.2328 0.2342 0.2342 0.4526 0.4526 0.4618 0.4618 0.5525 0.5525 0.6210 0.6210 1.9181 1.9181 2.7468 2.7468 13.1356 13.1356 15.3314 15.3314 18.8304 18.8304 19.3583 19.3583 20.6014 20.6014 k = 0.0000 0.0000 0.2813 ( 1906 PWs) bands (ev): -1.7825 -1.7825 -1.7796 -1.7796 -1.7454 -1.7454 -1.7352 -1.7352 0.2319 0.2319 0.2329 0.2329 0.4548 0.4548 0.4618 0.4618 0.5611 0.5611 0.6126 0.6126 2.0093 2.0093 2.6311 2.6311 13.4058 13.4058 15.0549 15.0549 18.8898 18.8898 19.2853 19.2853 20.6594 20.6594 k = 0.0000 0.0000 0.2922 ( 1918 PWs) bands (ev): -1.7821 -1.7821 -1.7802 -1.7802 -1.7435 -1.7435 -1.7367 -1.7367 0.2313 0.2313 0.2319 0.2319 0.4567 0.4567 0.4614 0.4614 0.5697 0.5697 0.6041 0.6041 2.1041 2.1041 2.5187 2.5187 13.6778 13.6778 14.7782 14.7782 18.9510 18.9510 19.2145 19.2145 20.7179 20.7179 k = 0.0000 0.0000 0.3030 ( 1918 PWs) bands (ev): -1.7817 -1.7817 -1.7807 -1.7807 -1.7417 -1.7417 -1.7383 -1.7383 0.2310 0.2310 0.2313 0.2313 0.4583 0.4583 0.4607 0.4607 0.5783 0.5783 0.5956 0.5956 2.2025 2.2025 2.4099 2.4099 13.9513 13.9513 14.5018 14.5018 19.0141 19.0141 19.1458 19.1458 20.7768 20.7768 k = 0.0000 0.0000 0.3138 ( 1918 PWs) bands (ev): -1.7812 -1.7812 -1.7812 -1.7812 -1.7399 -1.7399 -1.7399 -1.7399 0.2310 0.2310 0.2310 0.2310 0.4597 0.4597 0.4597 0.4597 0.5869 0.5869 0.5869 0.5869 2.3044 2.3044 2.3044 2.3044 14.2261 14.2261 14.2261 14.2261 19.0790 19.0790 19.0790 19.0790 20.8359 20.8359 k = 0.0000 0.0000 0.3138 ( 1918 PWs) bands (ev): -1.7812 -1.7812 -1.7812 -1.7812 -1.7399 -1.7399 -1.7399 -1.7399 0.2310 0.2310 0.2310 0.2310 0.4597 0.4597 0.4597 0.4597 0.5869 0.5869 0.5869 0.5869 2.3044 2.3044 2.3044 2.3044 14.2261 14.2261 14.2261 14.2261 19.0790 19.0790 19.0790 19.0790 20.8359 20.8359 k = 0.0094 0.0054 0.3138 ( 1912 PWs) bands (ev): -1.7811 -1.7811 -1.7811 -1.7811 -1.7399 -1.7399 -1.7399 -1.7399 0.2311 0.2311 0.2311 0.2311 0.4597 0.4597 0.4597 0.4597 0.5867 0.5867 0.5867 0.5867 2.3062 2.3062 2.3062 2.3062 14.2268 14.2268 14.2268 14.2268 19.0689 19.0689 19.0689 19.0689 20.8192 20.8192 k = 0.0189 0.0109 0.3138 ( 1908 PWs) bands (ev): -1.7810 -1.7810 -1.7810 -1.7810 -1.7397 -1.7397 -1.7397 -1.7397 0.2317 0.2317 0.2317 0.2317 0.4599 0.4599 0.4599 0.4599 0.5860 0.5860 0.5860 0.5860 2.3117 2.3117 2.3117 2.3117 14.2290 14.2290 14.2290 14.2290 19.0388 19.0388 19.0388 19.0388 20.7705 20.7705 k = 0.0283 0.0163 0.3138 ( 1908 PWs) bands (ev): -1.7807 -1.7807 -1.7807 -1.7807 -1.7393 -1.7393 -1.7393 -1.7393 0.2325 0.2325 0.2325 0.2325 0.4602 0.4602 0.4602 0.4602 0.5848 0.5848 0.5848 0.5848 2.3207 2.3207 2.3207 2.3207 14.2327 14.2327 14.2327 14.2327 18.9885 18.9885 18.9885 18.9885 20.6940 20.6940 k = 0.0377 0.0218 0.3138 ( 1908 PWs) bands (ev): -1.7804 -1.7804 -1.7804 -1.7804 -1.7389 -1.7389 -1.7389 -1.7389 0.2337 0.2337 0.2337 0.2337 0.4606 0.4606 0.4606 0.4606 0.5831 0.5831 0.5831 0.5831 2.3333 2.3333 2.3333 2.3333 14.2376 14.2376 14.2376 14.2376 18.9181 18.9181 18.9181 18.9181 20.5952 20.5952 k = 0.0472 0.0272 0.3138 ( 1908 PWs) bands (ev): -1.7800 -1.7800 -1.7800 -1.7800 -1.7383 -1.7383 -1.7383 -1.7383 0.2351 0.2351 0.2351 0.2351 0.4610 0.4610 0.4610 0.4610 0.5811 0.5811 0.5811 0.5811 2.3495 2.3495 2.3495 2.3495 14.2438 14.2438 14.2438 14.2438 18.8276 18.8276 18.8276 18.8276 20.4804 20.4804 k = 0.0566 0.0327 0.3138 ( 1910 PWs) bands (ev): -1.7795 -1.7795 -1.7795 -1.7795 -1.7376 -1.7376 -1.7376 -1.7376 0.2369 0.2369 0.2369 0.2369 0.4615 0.4615 0.4615 0.4615 0.5788 0.5788 0.5788 0.5788 2.3692 2.3692 2.3692 2.3692 14.2511 14.2511 14.2511 14.2511 18.7177 18.7177 18.7177 18.7177 20.3553 20.3553 k = 0.0660 0.0381 0.3138 ( 1906 PWs) bands (ev): -1.7790 -1.7790 -1.7790 -1.7790 -1.7367 -1.7367 -1.7367 -1.7367 0.2390 0.2390 0.2390 0.2390 0.4621 0.4621 0.4621 0.4621 0.5762 0.5762 0.5762 0.5762 2.3925 2.3925 2.3925 2.3925 14.2592 14.2592 14.2592 14.2592 18.5890 18.5890 18.5890 18.5890 20.2250 20.2250 k = 0.0755 0.0436 0.3138 ( 1900 PWs) bands (ev): -1.7784 -1.7784 -1.7784 -1.7784 -1.7358 -1.7358 -1.7358 -1.7358 0.2413 0.2413 0.2413 0.2413 0.4626 0.4626 0.4626 0.4626 0.5735 0.5735 0.5735 0.5735 2.4193 2.4193 2.4193 2.4193 14.2679 14.2679 14.2679 14.2679 18.4430 18.4430 18.4430 18.4430 20.0928 20.0928 k = 0.0849 0.0490 0.3138 ( 1904 PWs) bands (ev): -1.7777 -1.7777 -1.7777 -1.7777 -1.7347 -1.7347 -1.7347 -1.7347 0.2438 0.2438 0.2438 0.2438 0.4630 0.4630 0.4630 0.4630 0.5708 0.5708 0.5708 0.5708 2.4496 2.4496 2.4496 2.4496 14.2768 14.2768 14.2768 14.2768 18.2815 18.2815 18.2815 18.2815 19.9613 19.9613 k = 0.0943 0.0545 0.3138 ( 1912 PWs) bands (ev): -1.7771 -1.7771 -1.7771 -1.7771 -1.7336 -1.7336 -1.7336 -1.7336 0.2466 0.2466 0.2466 0.2466 0.4633 0.4633 0.4633 0.4633 0.5682 0.5682 0.5682 0.5682 2.4833 2.4833 2.4833 2.4833 14.2855 14.2855 14.2855 14.2855 18.1068 18.1068 18.1068 18.1068 19.8318 19.8318 k = 0.1038 0.0599 0.3138 ( 1920 PWs) bands (ev): -1.7764 -1.7764 -1.7764 -1.7764 -1.7323 -1.7323 -1.7323 -1.7323 0.2495 0.2495 0.2495 0.2495 0.4633 0.4633 0.4633 0.4633 0.5659 0.5659 0.5659 0.5659 2.5206 2.5206 2.5206 2.5206 14.2934 14.2934 14.2934 14.2934 17.9215 17.9215 17.9215 17.9215 19.7050 19.7050 k = 0.1132 0.0654 0.3138 ( 1924 PWs) bands (ev): -1.7758 -1.7758 -1.7758 -1.7758 -1.7310 -1.7310 -1.7310 -1.7310 0.2525 0.2525 0.2525 0.2525 0.4630 0.4630 0.4630 0.4630 0.5640 0.5640 0.5640 0.5640 2.5612 2.5612 2.5612 2.5612 14.2998 14.2998 14.2998 14.2998 17.7284 17.7284 17.7284 17.7284 19.5810 19.5810 k = 0.1226 0.0708 0.3138 ( 1924 PWs) bands (ev): -1.7751 -1.7751 -1.7751 -1.7751 -1.7297 -1.7297 -1.7297 -1.7297 0.2558 0.2558 0.2558 0.2558 0.4622 0.4622 0.4622 0.4622 0.5628 0.5628 0.5628 0.5628 2.6053 2.6053 2.6053 2.6053 14.3038 14.3038 14.3038 14.3038 17.5304 17.5304 17.5304 17.5304 19.4599 19.4599 k = 0.1321 0.0763 0.3138 ( 1926 PWs) bands (ev): -1.7745 -1.7745 -1.7745 -1.7745 -1.7282 -1.7282 -1.7282 -1.7282 0.2591 0.2591 0.2591 0.2591 0.4609 0.4609 0.4609 0.4609 0.5622 0.5622 0.5622 0.5622 2.6528 2.6528 2.6528 2.6528 14.3042 14.3042 14.3042 14.3042 17.3303 17.3303 17.3303 17.3303 19.3413 19.3413 k = 0.1415 0.0817 0.3138 ( 1922 PWs) bands (ev): -1.7739 -1.7739 -1.7739 -1.7739 -1.7268 -1.7268 -1.7268 -1.7268 0.2625 0.2625 0.2625 0.2625 0.4590 0.4590 0.4590 0.4590 0.5626 0.5626 0.5626 0.5626 2.7037 2.7037 2.7037 2.7037 14.2994 14.2994 14.2994 14.2994 17.1314 17.1314 17.1314 17.1314 19.2251 19.2251 k = 0.1509 0.0871 0.3138 ( 1930 PWs) bands (ev): -1.7734 -1.7734 -1.7734 -1.7734 -1.7253 -1.7253 -1.7253 -1.7253 0.2660 0.2660 0.2660 0.2660 0.4564 0.4564 0.4564 0.4564 0.5639 0.5639 0.5639 0.5639 2.7579 2.7579 2.7579 2.7579 14.2877 14.2877 14.2877 14.2877 16.9366 16.9366 16.9366 16.9366 19.1111 19.1111 k = 0.1604 0.0926 0.3138 ( 1930 PWs) bands (ev): -1.7728 -1.7728 -1.7728 -1.7728 -1.7238 -1.7238 -1.7238 -1.7238 0.2695 0.2695 0.2695 0.2695 0.4532 0.4532 0.4532 0.4532 0.5661 0.5661 0.5661 0.5661 2.8155 2.8155 2.8155 2.8155 14.2667 14.2667 14.2667 14.2667 16.7495 16.7495 16.7495 16.7495 18.9992 18.9992 k = 0.1698 0.0980 0.3138 ( 1932 PWs) bands (ev): -1.7724 -1.7724 -1.7724 -1.7724 -1.7223 -1.7223 -1.7223 -1.7223 0.2731 0.2731 0.2731 0.2731 0.4494 0.4494 0.4494 0.4494 0.5692 0.5692 0.5692 0.5692 2.8765 2.8765 2.8765 2.8765 14.2336 14.2336 14.2336 14.2336 16.5737 16.5737 16.5737 16.5737 18.8894 18.8894 k = 0.1792 0.1035 0.3138 ( 1936 PWs) bands (ev): -1.7720 -1.7720 -1.7720 -1.7720 -1.7209 -1.7209 -1.7209 -1.7209 0.2766 0.2766 0.2766 0.2766 0.4451 0.4451 0.4451 0.4451 0.5732 0.5732 0.5732 0.5732 2.9408 2.9408 2.9408 2.9408 14.1854 14.1854 14.1854 14.1854 16.4129 16.4129 16.4129 16.4129 18.7817 18.7817 k = 0.1887 0.1089 0.3138 ( 1936 PWs) bands (ev): -1.7716 -1.7716 -1.7716 -1.7716 -1.7195 -1.7195 -1.7195 -1.7195 0.2801 0.2801 0.2801 0.2801 0.4404 0.4404 0.4404 0.4404 0.5781 0.5781 0.5781 0.5781 3.0085 3.0085 3.0085 3.0085 14.1191 14.1191 14.1191 14.1191 16.2708 16.2708 16.2708 16.2708 18.6763 18.6763 k = 0.1981 0.1144 0.3138 ( 1936 PWs) bands (ev): -1.7714 -1.7714 -1.7714 -1.7714 -1.7181 -1.7181 -1.7181 -1.7181 0.2836 0.2836 0.2836 0.2836 0.4355 0.4355 0.4355 0.4355 0.5836 0.5836 0.5836 0.5836 3.0795 3.0795 3.0795 3.0795 14.0323 14.0323 14.0323 14.0323 16.1501 16.1501 16.1501 16.1501 18.5731 18.5731 k = 0.2075 0.1198 0.3138 ( 1928 PWs) bands (ev): -1.7711 -1.7711 -1.7711 -1.7711 -1.7169 -1.7169 -1.7169 -1.7169 0.2870 0.2870 0.2870 0.2870 0.4304 0.4304 0.4304 0.4304 0.5898 0.5898 0.5898 0.5898 3.1538 3.1538 3.1538 3.1538 13.9237 13.9237 13.9237 13.9237 16.0527 16.0527 16.0527 16.0527 18.4723 18.4723 k = 0.2170 0.1253 0.3138 ( 1926 PWs) bands (ev): -1.7709 -1.7709 -1.7709 -1.7709 -1.7157 -1.7157 -1.7157 -1.7157 0.2904 0.2904 0.2904 0.2904 0.4252 0.4252 0.4252 0.4252 0.5965 0.5965 0.5965 0.5965 3.2315 3.2315 3.2315 3.2315 13.7933 13.7934 13.7934 13.7934 15.9786 15.9786 15.9786 15.9786 18.3742 18.3742 k = 0.2264 0.1307 0.3138 ( 1926 PWs) bands (ev): -1.7708 -1.7708 -1.7708 -1.7708 -1.7146 -1.7146 -1.7146 -1.7146 0.2935 0.2935 0.2935 0.2935 0.4200 0.4200 0.4200 0.4200 0.6036 0.6036 0.6036 0.6036 3.3124 3.3124 3.3124 3.3124 13.6430 13.6430 13.6430 13.6430 15.9263 15.9263 15.9263 15.9263 18.2789 18.2789 k = 0.2358 0.1362 0.3138 ( 1926 PWs) bands (ev): -1.7708 -1.7708 -1.7708 -1.7708 -1.7136 -1.7136 -1.7136 -1.7136 0.2965 0.2965 0.2965 0.2965 0.4150 0.4150 0.4150 0.4150 0.6112 0.6112 0.6112 0.6112 3.3967 3.3967 3.3967 3.3967 13.4752 13.4752 13.4752 13.4752 15.8932 15.8932 15.8932 15.8932 18.1867 18.1867 k = 0.2453 0.1416 0.3138 ( 1926 PWs) bands (ev): -1.7708 -1.7708 -1.7708 -1.7708 -1.7127 -1.7127 -1.7127 -1.7127 0.2993 0.2993 0.2993 0.2993 0.4102 0.4102 0.4102 0.4102 0.6190 0.6190 0.6190 0.6190 3.4842 3.4842 3.4842 3.4842 13.2931 13.2931 13.2931 13.2931 15.8765 15.8765 15.8765 15.8765 18.0978 18.0978 k = 0.2547 0.1471 0.3138 ( 1930 PWs) bands (ev): -1.7709 -1.7709 -1.7709 -1.7709 -1.7119 -1.7119 -1.7119 -1.7119 0.3017 0.3017 0.3017 0.3017 0.4057 0.4057 0.4057 0.4057 0.6271 0.6271 0.6271 0.6271 3.5750 3.5750 3.5750 3.5750 13.0995 13.0995 13.0995 13.0995 15.8730 15.8730 15.8730 15.8730 18.0125 18.0125 k = 0.2642 0.1525 0.3138 ( 1930 PWs) bands (ev): -1.7710 -1.7710 -1.7710 -1.7710 -1.7113 -1.7113 -1.7113 -1.7113 0.3038 0.3038 0.3038 0.3038 0.4017 0.4017 0.4017 0.4017 0.6354 0.6354 0.6354 0.6354 3.6690 3.6690 3.6690 3.6690 12.8974 12.8974 12.8974 12.8974 15.8800 15.8800 15.8800 15.8800 17.9312 17.9312 k = 0.2736 0.1580 0.3138 ( 1934 PWs) bands (ev): -1.7712 -1.7712 -1.7712 -1.7712 -1.7108 -1.7108 -1.7108 -1.7108 0.3055 0.3055 0.3055 0.3055 0.3982 0.3982 0.3982 0.3982 0.6438 0.6438 0.6438 0.6438 3.7662 3.7662 3.7662 3.7662 12.6888 12.6888 12.6888 12.6888 15.8950 15.8950 15.8950 15.8950 17.8542 17.8542 k = 0.2830 0.1634 0.3138 ( 1934 PWs) bands (ev): -1.7714 -1.7714 -1.7714 -1.7714 -1.7103 -1.7103 -1.7103 -1.7103 0.3066 0.3066 0.3066 0.3066 0.3953 0.3953 0.3953 0.3953 0.6522 0.6522 0.6522 0.6522 3.8666 3.8666 3.8666 3.8666 12.4756 12.4756 12.4756 12.4756 15.9160 15.9160 15.9160 15.9160 17.7819 17.7819 k = 0.2925 0.1688 0.3138 ( 1934 PWs) bands (ev): -1.7716 -1.7716 -1.7716 -1.7716 -1.7100 -1.7100 -1.7100 -1.7100 0.3072 0.3072 0.3072 0.3072 0.3931 0.3931 0.3931 0.3931 0.6607 0.6607 0.6607 0.6607 3.9700 3.9700 3.9700 3.9700 12.2595 12.2595 12.2595 12.2595 15.9411 15.9411 15.9411 15.9411 17.7148 17.7148 k = 0.3019 0.1743 0.3138 ( 1938 PWs) bands (ev): -1.7719 -1.7719 -1.7719 -1.7719 -1.7099 -1.7099 -1.7099 -1.7099 0.3071 0.3071 0.3071 0.3071 0.3916 0.3916 0.3916 0.3916 0.6691 0.6691 0.6691 0.6691 4.0765 4.0765 4.0765 4.0765 12.0415 12.0415 12.0415 12.0415 15.9688 15.9688 15.9688 15.9688 17.6533 17.6533 k = 0.3113 0.1797 0.3138 ( 1948 PWs) bands (ev): -1.7723 -1.7723 -1.7723 -1.7723 -1.7098 -1.7098 -1.7098 -1.7098 0.3064 0.3064 0.3064 0.3064 0.3909 0.3909 0.3909 0.3909 0.6775 0.6775 0.6775 0.6775 4.1859 4.1859 4.1859 4.1859 11.8227 11.8227 11.8227 11.8227 15.9976 15.9976 15.9976 15.9976 17.5979 17.5979 k = 0.3208 0.1852 0.3138 ( 1948 PWs) bands (ev): -1.7726 -1.7726 -1.7726 -1.7726 -1.7099 -1.7099 -1.7099 -1.7099 0.3052 0.3052 0.3052 0.3052 0.3908 0.3908 0.3908 0.3908 0.6857 0.6857 0.6857 0.6857 4.2982 4.2982 4.2982 4.2982 11.6039 11.6039 11.6039 11.6039 16.0263 16.0263 16.0263 16.0263 17.5491 17.5491 k = 0.3302 0.1906 0.3138 ( 1944 PWs) bands (ev): -1.7729 -1.7729 -1.7729 -1.7729 -1.7100 -1.7100 -1.7100 -1.7100 0.3035 0.3035 0.3035 0.3035 0.3915 0.3915 0.3915 0.3915 0.6938 0.6938 0.6938 0.6938 4.4133 4.4133 4.4133 4.4133 11.3858 11.3858 11.3858 11.3858 16.0538 16.0538 16.0538 16.0538 17.5074 17.5074 k = 0.3396 0.1961 0.3138 ( 1936 PWs) bands (ev): -1.7733 -1.7733 -1.7733 -1.7733 -1.7102 -1.7102 -1.7102 -1.7102 0.3014 0.3014 0.3014 0.3014 0.3926 0.3926 0.3926 0.3926 0.7017 0.7017 0.7017 0.7017 4.5310 4.5310 4.5310 4.5310 11.1691 11.1691 11.1691 11.1691 16.0789 16.0789 16.0789 16.0789 17.4733 17.4733 k = 0.3491 0.2015 0.3138 ( 1940 PWs) bands (ev): -1.7736 -1.7736 -1.7736 -1.7736 -1.7105 -1.7105 -1.7105 -1.7105 0.2990 0.2990 0.2990 0.2990 0.3942 0.3942 0.3942 0.3942 0.7093 0.7093 0.7093 0.7093 4.6511 4.6511 4.6511 4.6511 10.9543 10.9543 10.9543 10.9543 16.1009 16.1009 16.1009 16.1009 17.4470 17.4470 k = 0.3585 0.2070 0.3138 ( 1940 PWs) bands (ev): -1.7740 -1.7740 -1.7740 -1.7740 -1.7109 -1.7109 -1.7109 -1.7109 0.2964 0.2964 0.2964 0.2964 0.3961 0.3961 0.3961 0.3961 0.7167 0.7167 0.7167 0.7167 4.7734 4.7734 4.7734 4.7734 10.7419 10.7419 10.7419 10.7419 16.1191 16.1191 16.1191 16.1192 17.4288 17.4288 k = 0.3679 0.2124 0.3138 ( 1944 PWs) bands (ev): -1.7744 -1.7744 -1.7744 -1.7744 -1.7113 -1.7113 -1.7113 -1.7113 0.2937 0.2937 0.2937 0.2937 0.3982 0.3982 0.3982 0.3982 0.7237 0.7237 0.7237 0.7237 4.8977 4.8977 4.8977 4.8977 10.5325 10.5325 10.5325 10.5325 16.1332 16.1332 16.1332 16.1332 17.4184 17.4184 k = 0.3774 0.2179 0.3138 ( 1944 PWs) bands (ev): -1.7747 -1.7747 -1.7747 -1.7747 -1.7117 -1.7117 -1.7117 -1.7117 0.2909 0.2909 0.2909 0.2909 0.4005 0.4005 0.4005 0.4005 0.7304 0.7304 0.7304 0.7304 5.0237 5.0237 5.0237 5.0237 10.3266 10.3266 10.3266 10.3266 16.1429 16.1429 16.1429 16.1429 17.4155 17.4155 k = 0.3868 0.2233 0.3138 ( 1940 PWs) bands (ev): -1.7750 -1.7750 -1.7750 -1.7750 -1.7122 -1.7122 -1.7122 -1.7122 0.2882 0.2882 0.2882 0.2882 0.4029 0.4029 0.4029 0.4029 0.7367 0.7367 0.7367 0.7367 5.1509 5.1509 5.1509 5.1509 10.1248 10.1248 10.1248 10.1248 16.1486 16.1486 16.1486 16.1486 17.4195 17.4195 k = 0.3962 0.2288 0.3138 ( 1940 PWs) bands (ev): -1.7754 -1.7754 -1.7754 -1.7754 -1.7127 -1.7127 -1.7127 -1.7127 0.2856 0.2856 0.2856 0.2856 0.4052 0.4052 0.4052 0.4052 0.7426 0.7426 0.7426 0.7426 5.2789 5.2789 5.2789 5.2789 9.9277 9.9277 9.9277 9.9277 16.1505 16.1505 16.1505 16.1505 17.4293 17.4293 k = 0.4057 0.2342 0.3138 ( 1936 PWs) bands (ev): -1.7757 -1.7757 -1.7757 -1.7757 -1.7132 -1.7132 -1.7132 -1.7132 0.2831 0.2831 0.2831 0.2831 0.4075 0.4075 0.4075 0.4075 0.7481 0.7481 0.7481 0.7481 5.4070 5.4070 5.4070 5.4070 9.7362 9.7362 9.7362 9.7362 16.1493 16.1493 16.1493 16.1493 17.4439 17.4439 k = 0.4151 0.2397 0.3138 ( 1934 PWs) bands (ev): -1.7760 -1.7760 -1.7760 -1.7760 -1.7137 -1.7137 -1.7137 -1.7137 0.2807 0.2807 0.2807 0.2807 0.4097 0.4097 0.4097 0.4097 0.7532 0.7532 0.7532 0.7532 5.5343 5.5343 5.5343 5.5343 9.5512 9.5512 9.5512 9.5512 16.1456 16.1456 16.1456 16.1456 17.4620 17.4620 k = 0.4245 0.2451 0.3138 ( 1938 PWs) bands (ev): -1.7762 -1.7762 -1.7762 -1.7762 -1.7142 -1.7142 -1.7142 -1.7142 0.2785 0.2785 0.2785 0.2785 0.4118 0.4118 0.4118 0.4118 0.7577 0.7577 0.7577 0.7577 5.6598 5.6598 5.6598 5.6598 9.3739 9.3739 9.3739 9.3739 16.1402 16.1402 16.1402 16.1402 17.4823 17.4823 k = 0.4340 0.2505 0.3138 ( 1934 PWs) bands (ev): -1.7765 -1.7765 -1.7765 -1.7765 -1.7147 -1.7147 -1.7147 -1.7147 0.2765 0.2765 0.2765 0.2765 0.4137 0.4137 0.4137 0.4137 0.7618 0.7618 0.7618 0.7618 5.7820 5.7820 5.7820 5.7820 9.2058 9.2058 9.2058 9.2058 16.1338 16.1338 16.1338 16.1338 17.5036 17.5036 k = 0.4434 0.2560 0.3138 ( 1926 PWs) bands (ev): -1.7767 -1.7767 -1.7767 -1.7767 -1.7151 -1.7151 -1.7151 -1.7151 0.2748 0.2748 0.2748 0.2748 0.4154 0.4154 0.4154 0.4154 0.7654 0.7654 0.7654 0.7654 5.8990 5.8990 5.8990 5.8990 9.0489 9.0489 9.0489 9.0489 16.1269 16.1269 16.1269 16.1269 17.5247 17.5247 k = 0.4528 0.2614 0.3138 ( 1922 PWs) bands (ev): -1.7768 -1.7768 -1.7768 -1.7768 -1.7154 -1.7154 -1.7154 -1.7154 0.2733 0.2733 0.2733 0.2733 0.4169 0.4169 0.4169 0.4169 0.7684 0.7684 0.7684 0.7684 6.0084 6.0084 6.0084 6.0084 8.9057 8.9057 8.9057 8.9057 16.1203 16.1203 16.1203 16.1203 17.5445 17.5445 k = 0.4623 0.2669 0.3138 ( 1926 PWs) bands (ev): -1.7770 -1.7770 -1.7770 -1.7770 -1.7158 -1.7158 -1.7158 -1.7158 0.2721 0.2721 0.2721 0.2721 0.4181 0.4181 0.4181 0.4181 0.7709 0.7709 0.7709 0.7709 6.1069 6.1069 6.1069 6.1069 8.7795 8.7795 8.7795 8.7795 16.1142 16.1142 16.1142 16.1142 17.5621 17.5621 k = 0.4717 0.2723 0.3138 ( 1930 PWs) bands (ev): -1.7771 -1.7771 -1.7771 -1.7771 -1.7160 -1.7160 -1.7160 -1.7160 0.2711 0.2711 0.2711 0.2711 0.4191 0.4191 0.4191 0.4191 0.7729 0.7729 0.7729 0.7729 6.1906 6.1906 6.1906 6.1906 8.6741 8.6741 8.6741 8.6741 16.1091 16.1091 16.1091 16.1091 17.5766 17.5766 k = 0.4811 0.2778 0.3138 ( 1934 PWs) bands (ev): -1.7772 -1.7772 -1.7772 -1.7772 -1.7162 -1.7162 -1.7162 -1.7162 0.2704 0.2704 0.2704 0.2704 0.4198 0.4198 0.4198 0.4198 0.7743 0.7743 0.7743 0.7743 6.2552 6.2552 6.2552 6.2552 8.5941 8.5941 8.5941 8.5941 16.1053 16.1053 16.1053 16.1053 17.5875 17.5875 k = 0.4906 0.2832 0.3138 ( 1932 PWs) bands (ev): -1.7772 -1.7772 -1.7772 -1.7772 -1.7163 -1.7163 -1.7163 -1.7163 0.2700 0.2700 0.2700 0.2700 0.4202 0.4202 0.4202 0.4202 0.7751 0.7751 0.7751 0.7751 6.2962 6.2962 6.2962 6.2962 8.5438 8.5438 8.5438 8.5438 16.1029 16.1029 16.1029 16.1029 17.5942 17.5942 k = 0.5000 0.2887 0.3138 ( 1932 PWs) bands (ev): -1.7773 -1.7773 -1.7773 -1.7773 -1.7164 -1.7164 -1.7164 -1.7164 0.2698 0.2698 0.2698 0.2698 0.4203 0.4203 0.4203 0.4203 0.7754 0.7754 0.7754 0.7754 6.3103 6.3103 6.3103 6.3103 8.5266 8.5266 8.5266 8.5266 16.1021 16.1021 16.1021 16.1021 17.5964 17.5964 k = 0.5000 0.2887 0.3138 ( 1932 PWs) bands (ev): -1.7773 -1.7773 -1.7773 -1.7773 -1.7164 -1.7164 -1.7164 -1.7164 0.2698 0.2698 0.2698 0.2698 0.4203 0.4203 0.4203 0.4203 0.7754 0.7754 0.7754 0.7754 6.3103 6.3103 6.3103 6.3103 8.5266 8.5266 8.5266 8.5266 16.1021 16.1021 16.1021 16.1021 17.5964 17.5964 k = 0.4946 0.2980 0.3138 ( 1932 PWs) bands (ev): -1.7773 -1.7773 -1.7770 -1.7770 -1.7173 -1.7173 -1.7152 -1.7152 0.2661 0.2661 0.2736 0.2736 0.4194 0.4194 0.4215 0.4215 0.7737 0.7737 0.7765 0.7765 6.3107 6.3107 6.3119 6.3119 8.5272 8.5272 8.5301 8.5301 16.0436 16.0436 16.1177 16.1177 17.5497 17.5497 k = 0.4892 0.3073 0.3138 ( 1936 PWs) bands (ev): -1.7773 -1.7773 -1.7767 -1.7767 -1.7181 -1.7181 -1.7139 -1.7139 0.2623 0.2623 0.2773 0.2773 0.4187 0.4187 0.4228 0.4228 0.7714 0.7714 0.7769 0.7769 6.3132 6.3132 6.3156 6.3156 8.5318 8.5318 8.5377 8.5377 15.9487 15.9487 16.0867 16.0867 17.5208 17.5208 k = 0.4839 0.3166 0.3138 ( 1936 PWs) bands (ev): -1.7770 -1.7770 -1.7762 -1.7762 -1.7186 -1.7186 -1.7124 -1.7124 0.2586 0.2586 0.2811 0.2811 0.4182 0.4182 0.4244 0.4244 0.7684 0.7684 0.7768 0.7768 6.3178 6.3178 6.3214 6.3214 8.5404 8.5404 8.5493 8.5493 15.8244 15.8244 16.0106 16.0106 17.5117 17.5117 k = 0.4785 0.3259 0.3138 ( 1936 PWs) bands (ev): -1.7767 -1.7767 -1.7756 -1.7756 -1.7190 -1.7190 -1.7108 -1.7108 0.2549 0.2549 0.2848 0.2848 0.4180 0.4180 0.4260 0.4260 0.7648 0.7648 0.7761 0.7761 6.3244 6.3244 6.3292 6.3292 8.5530 8.5530 8.5649 8.5649 15.6770 15.6770 15.8954 15.8954 17.5198 17.5198 k = 0.4731 0.3352 0.3138 ( 1936 PWs) bands (ev): -1.7762 -1.7762 -1.7749 -1.7749 -1.7191 -1.7191 -1.7089 -1.7089 0.2514 0.2514 0.2885 0.2885 0.4181 0.4181 0.4278 0.4278 0.7606 0.7606 0.7749 0.7749 6.3331 6.3331 6.3390 6.3390 8.5694 8.5694 8.5846 8.5846 15.5114 15.5114 15.7494 15.7494 17.5407 17.5407 k = 0.4677 0.3445 0.3138 ( 1932 PWs) bands (ev): -1.7757 -1.7757 -1.7741 -1.7741 -1.7191 -1.7191 -1.7069 -1.7069 0.2479 0.2479 0.2921 0.2921 0.4185 0.4185 0.4298 0.4298 0.7558 0.7558 0.7731 0.7731 6.3438 6.3438 6.3509 6.3509 8.5898 8.5898 8.6084 8.6084 15.3318 15.3318 15.5806 15.5806 17.5702 17.5702 k = 0.4624 0.3539 0.3138 ( 1938 PWs) bands (ev): -1.7750 -1.7750 -1.7732 -1.7732 -1.7188 -1.7188 -1.7048 -1.7048 0.2444 0.2444 0.2957 0.2957 0.4191 0.4191 0.4318 0.4318 0.7503 0.7503 0.7709 0.7709 6.3565 6.3565 6.3648 6.3648 8.6139 8.6139 8.6362 8.6362 15.1412 15.1412 15.3955 15.3955 17.6049 17.6049 k = 0.4570 0.3632 0.3138 ( 1938 PWs) bands (ev): -1.7743 -1.7743 -1.7723 -1.7723 -1.7184 -1.7184 -1.7025 -1.7025 0.2411 0.2411 0.2993 0.2993 0.4201 0.4201 0.4339 0.4339 0.7443 0.7443 0.7682 0.7682 6.3712 6.3712 6.3806 6.3806 8.6417 8.6417 8.6679 8.6679 14.9424 14.9424 15.1989 15.1989 17.6428 17.6428 k = 0.4516 0.3725 0.3138 ( 1928 PWs) bands (ev): -1.7734 -1.7734 -1.7713 -1.7713 -1.7177 -1.7177 -1.7000 -1.7000 0.2380 0.2380 0.3029 0.3029 0.4215 0.4215 0.4361 0.4361 0.7377 0.7377 0.7651 0.7651 6.3879 6.3879 6.3984 6.3984 8.6732 8.6732 8.7036 8.7036 14.7373 14.7373 14.9944 14.9944 17.6829 17.6829 k = 0.4462 0.3818 0.3138 ( 1928 PWs) bands (ev): -1.7726 -1.7726 -1.7704 -1.7704 -1.7169 -1.7169 -1.6975 -1.6975 0.2349 0.2349 0.3064 0.3064 0.4232 0.4232 0.4384 0.4384 0.7306 0.7306 0.7617 0.7617 6.4065 6.4065 6.4181 6.4181 8.7081 8.7081 8.7432 8.7432 14.5276 14.5276 14.7847 14.7847 17.7243 17.7243 k = 0.4409 0.3911 0.3138 ( 1920 PWs) bands (ev): -1.7717 -1.7717 -1.7695 -1.7695 -1.7158 -1.7158 -1.6948 -1.6948 0.2320 0.2320 0.3099 0.3099 0.4252 0.4252 0.4407 0.4407 0.7230 0.7230 0.7580 0.7580 6.4270 6.4270 6.4397 6.4397 8.7465 8.7465 8.7866 8.7866 14.3148 14.3148 14.5717 14.5717 17.7668 17.7668 k = 0.4355 0.4004 0.3138 ( 1922 PWs) bands (ev): -1.7709 -1.7709 -1.7687 -1.7687 -1.7146 -1.7146 -1.6921 -1.6921 0.2293 0.2293 0.3134 0.3134 0.4276 0.4276 0.4430 0.4430 0.7149 0.7149 0.7540 0.7540 6.4493 6.4493 6.4630 6.4630 8.7881 8.7881 8.8338 8.8338 14.0999 14.0999 14.3572 14.3572 17.8101 17.8101 k = 0.4301 0.4097 0.3138 ( 1922 PWs) bands (ev): -1.7700 -1.7700 -1.7679 -1.7679 -1.7132 -1.7132 -1.6893 -1.6893 0.2266 0.2266 0.3168 0.3168 0.4303 0.4303 0.4454 0.4454 0.7064 0.7064 0.7498 0.7498 6.4733 6.4733 6.4882 6.4882 8.8327 8.8327 8.8847 8.8847 13.8839 13.8839 14.1424 14.1424 17.8543 17.8543 k = 0.4247 0.4190 0.3138 ( 1922 PWs) bands (ev): -1.7692 -1.7692 -1.7671 -1.7671 -1.7117 -1.7117 -1.6864 -1.6864 0.2242 0.2242 0.3203 0.3203 0.4333 0.4333 0.4479 0.4479 0.6975 0.6975 0.7455 0.7455 6.4990 6.4990 6.5150 6.5150 8.8803 8.8803 8.9393 8.9393 13.6678 13.6678 13.9283 13.9283 17.8991 17.8991 k = 0.4194 0.4284 0.3138 ( 1918 PWs) bands (ev): -1.7684 -1.7684 -1.7664 -1.7664 -1.7101 -1.7101 -1.6836 -1.6836 0.2219 0.2219 0.3237 0.3237 0.4367 0.4367 0.4503 0.4503 0.6883 0.6883 0.7410 0.7410 6.5263 6.5263 6.5434 6.5434 8.9305 8.9305 8.9974 8.9974 13.4522 13.4522 13.7159 13.7159 17.9444 17.9444 k = 0.4140 0.4377 0.3138 ( 1918 PWs) bands (ev): -1.7676 -1.7676 -1.7658 -1.7658 -1.7084 -1.7084 -1.6808 -1.6808 0.2198 0.2198 0.3271 0.3271 0.4404 0.4404 0.4528 0.4528 0.6787 0.6787 0.7365 0.7365 6.5551 6.5551 6.5732 6.5732 8.9831 8.9831 9.0589 9.0589 13.2379 13.2379 13.5061 13.5061 17.9903 17.9903 k = 0.4086 0.4470 0.3138 ( 1922 PWs) bands (ev): -1.7669 -1.7669 -1.7653 -1.7653 -1.7067 -1.7067 -1.6780 -1.6780 0.2178 0.2178 0.3305 0.3305 0.4445 0.4445 0.4553 0.4553 0.6690 0.6690 0.7320 0.7320 6.5852 6.5852 6.6045 6.6045 9.0377 9.0377 9.1238 9.1238 13.0255 13.0255 13.2998 13.2998 18.0364 18.0364 k = 0.4032 0.4563 0.3138 ( 1918 PWs) bands (ev): -1.7662 -1.7662 -1.7648 -1.7648 -1.7049 -1.7049 -1.6753 -1.6753 0.2160 0.2160 0.3338 0.3338 0.4489 0.4489 0.4578 0.4578 0.6590 0.6590 0.7275 0.7275 6.6165 6.6165 6.6369 6.6369 9.0941 9.0941 9.1918 9.1918 12.8156 12.8156 13.0977 13.0977 18.0826 18.0826 k = 0.3978 0.4656 0.3138 ( 1914 PWs) bands (ev): -1.7655 -1.7655 -1.7644 -1.7644 -1.7031 -1.7031 -1.6727 -1.6727 0.2143 0.2143 0.3372 0.3372 0.4537 0.4537 0.4603 0.4603 0.6488 0.6488 0.7232 0.7232 6.6487 6.6487 6.6703 6.6703 9.1517 9.1517 9.2628 9.2628 12.6090 12.6090 12.9009 12.9009 18.1286 18.1286 k = 0.3925 0.4749 0.3138 ( 1914 PWs) bands (ev): -1.7649 -1.7649 -1.7641 -1.7641 -1.7014 -1.7014 -1.6702 -1.6702 0.2128 0.2128 0.3404 0.3404 0.4587 0.4587 0.4627 0.4627 0.6386 0.6386 0.7190 0.7190 6.6817 6.6817 6.7045 6.7045 9.2100 9.2100 9.3366 9.3366 12.4064 12.4064 12.7103 12.7103 18.1741 18.1741 k = 0.3871 0.4842 0.3138 ( 1918 PWs) bands (ev): -1.7644 -1.7644 -1.7638 -1.7638 -1.6998 -1.6998 -1.6678 -1.6678 0.2114 0.2114 0.3435 0.3435 0.4642 0.4642 0.4651 0.4651 0.6282 0.6282 0.7149 0.7149 6.7151 6.7151 6.7391 6.7391 9.2683 9.2683 9.4128 9.4128 12.2084 12.2084 12.5271 12.5271 18.2187 18.2187 k = 0.3817 0.4935 0.3138 ( 1918 PWs) bands (ev): -1.7640 -1.7640 -1.7636 -1.7636 -1.6983 -1.6983 -1.6657 -1.6657 0.2102 0.2102 0.3464 0.3464 0.4675 0.4675 0.4699 0.4699 0.6179 0.6179 0.7112 0.7112 6.7487 6.7487 6.7739 6.7739 9.3258 9.3258 9.4912 9.4912 12.0161 12.0161 12.3527 12.3527 18.2620 18.2620 k = 0.3763 0.5029 0.3138 ( 1924 PWs) bands (ev): -1.7636 -1.7636 -1.7634 -1.7634 -1.6969 -1.6969 -1.6637 -1.6637 0.2091 0.2091 0.3492 0.3492 0.4696 0.4696 0.4760 0.4760 0.6076 0.6076 0.7077 0.7077 6.7819 6.7819 6.8084 6.8084 9.3815 9.3815 9.5712 9.5712 11.8304 11.8304 12.1885 12.1885 18.3035 18.3035 k = 0.3710 0.5122 0.3138 ( 1928 PWs) bands (ev): -1.7632 -1.7632 -1.7632 -1.7632 -1.6957 -1.6957 -1.6620 -1.6620 0.2081 0.2081 0.3518 0.3518 0.4717 0.4717 0.4823 0.4823 0.5975 0.5975 0.7045 0.7045 6.8143 6.8143 6.8421 6.8421 9.4344 9.4344 9.6521 9.6521 11.6528 11.6528 12.0363 12.0363 18.3426 18.3426 k = 0.3656 0.5215 0.3138 ( 1928 PWs) bands (ev): -1.7631 -1.7631 -1.7629 -1.7629 -1.6946 -1.6946 -1.6604 -1.6604 0.2072 0.2072 0.3542 0.3542 0.4736 0.4736 0.4890 0.4890 0.5874 0.5874 0.7017 0.7017 6.8454 6.8454 6.8745 6.8745 9.4830 9.4830 9.7329 9.7329 11.4849 11.4849 11.8982 11.8982 18.3788 18.3788 k = 0.3602 0.5308 0.3138 ( 1928 PWs) bands (ev): -1.7630 -1.7630 -1.7627 -1.7627 -1.6936 -1.6936 -1.6591 -1.6591 0.2065 0.2065 0.3563 0.3563 0.4753 0.4753 0.4959 0.4959 0.5776 0.5776 0.6993 0.6993 6.8744 6.8744 6.9047 6.9047 9.5259 9.5259 9.8121 9.8121 11.3290 11.3290 11.7765 11.7765 18.4113 18.4113 k = 0.3548 0.5401 0.3138 ( 1932 PWs) bands (ev): -1.7629 -1.7629 -1.7625 -1.7625 -1.6928 -1.6928 -1.6580 -1.6580 0.2059 0.2059 0.3581 0.3581 0.4767 0.4767 0.5030 0.5030 0.5681 0.5681 0.6973 0.6973 6.9005 6.9005 6.9320 6.9320 9.5616 9.5616 9.8873 9.8873 11.1886 11.1886 11.6736 11.6736 18.4394 18.4394 k = 0.3495 0.5494 0.3138 ( 1928 PWs) bands (ev): -1.7628 -1.7628 -1.7624 -1.7624 -1.6922 -1.6922 -1.6572 -1.6572 0.2054 0.2054 0.3595 0.3595 0.4779 0.4779 0.5103 0.5103 0.5589 0.5589 0.6958 0.6958 6.9228 6.9228 6.9553 6.9553 9.5890 9.5890 9.9549 9.9549 11.0681 11.0681 11.5917 11.5917 18.4625 18.4625 k = 0.3441 0.5587 0.3138 ( 1920 PWs) bands (ev): -1.7628 -1.7628 -1.7623 -1.7623 -1.6918 -1.6918 -1.6566 -1.6566 0.2051 0.2051 0.3606 0.3606 0.4788 0.4788 0.5177 0.5177 0.5502 0.5502 0.6947 0.6947 6.9402 6.9402 6.9736 6.9736 9.6076 9.6076 10.0097 10.0097 10.9739 10.9739 11.5326 11.5326 18.4799 18.4799 k = 0.3387 0.5680 0.3138 ( 1920 PWs) bands (ev): -1.7628 -1.7628 -1.7622 -1.7622 -1.6915 -1.6915 -1.6562 -1.6562 0.2049 0.2049 0.3613 0.3613 0.4794 0.4794 0.5250 0.5250 0.5421 0.5421 0.6941 0.6941 6.9516 6.9516 6.9855 6.9855 9.6175 9.6175 10.0454 10.0454 10.9137 10.9137 11.4974 11.4974 18.4907 18.4907 k = 0.3333 0.5774 0.3138 ( 1920 PWs) bands (ev): -1.7628 -1.7628 -1.7622 -1.7622 -1.6914 -1.6914 -1.6561 -1.6561 0.2048 0.2048 0.3615 0.3615 0.4796 0.4796 0.5299 0.5299 0.5369 0.5369 0.6939 0.6939 6.9556 6.9556 6.9898 6.9898 9.6202 9.6202 10.0573 10.0573 10.8932 10.8932 11.4858 11.4858 18.4944 18.4944 k = 0.3333 0.5774 0.3138 ( 1920 PWs) bands (ev): -1.7628 -1.7628 -1.7622 -1.7622 -1.6914 -1.6914 -1.6561 -1.6561 0.2048 0.2048 0.3615 0.3615 0.4796 0.4796 0.5299 0.5299 0.5369 0.5369 0.6939 0.6939 6.9556 6.9556 6.9898 6.9898 9.6202 9.6202 10.0573 10.0573 10.8932 10.8932 11.4858 11.4858 18.4944 18.4944 k = 0.3279 0.5679 0.3138 ( 1924 PWs) bands (ev): -1.7628 -1.7628 -1.7622 -1.7622 -1.6915 -1.6915 -1.6562 -1.6562 0.2049 0.2049 0.3613 0.3613 0.4794 0.4794 0.5251 0.5251 0.5420 0.5420 0.6941 0.6941 6.9510 6.9510 6.9849 6.9849 9.6184 9.6184 10.0469 10.0469 10.9129 10.9129 11.4972 11.4972 18.4904 18.4904 k = 0.3224 0.5584 0.3138 ( 1916 PWs) bands (ev): -1.7628 -1.7628 -1.7622 -1.7622 -1.6918 -1.6918 -1.6565 -1.6565 0.2051 0.2051 0.3605 0.3605 0.4788 0.4788 0.5185 0.5185 0.5494 0.5494 0.6947 0.6947 6.9362 6.9362 6.9694 6.9694 9.6154 9.6154 10.0220 10.0220 10.9664 10.9664 11.5297 11.5297 18.4781 18.4781 k = 0.3169 0.5490 0.3138 ( 1920 PWs) bands (ev): -1.7628 -1.7628 -1.7623 -1.7623 -1.6922 -1.6922 -1.6571 -1.6571 0.2055 0.2055 0.3593 0.3593 0.4778 0.4778 0.5123 0.5123 0.5569 0.5569 0.6956 0.6956 6.9103 6.9103 6.9423 6.9423 9.6148 9.6148 9.9930 9.9930 11.0442 11.0442 11.5808 11.5808 18.4574 18.4574 k = 0.3115 0.5395 0.3138 ( 1928 PWs) bands (ev): -1.7629 -1.7629 -1.7624 -1.7624 -1.6927 -1.6927 -1.6579 -1.6579 0.2061 0.2061 0.3575 0.3575 0.4765 0.4765 0.5067 0.5067 0.5644 0.5644 0.6968 0.6968 6.8724 6.8724 6.9028 6.9028 9.6200 9.6200 9.9684 9.9684 11.1389 11.1389 11.6479 11.6479 18.4281 18.4281 k = 0.3060 0.5300 0.3138 ( 1928 PWs) bands (ev): -1.7629 -1.7629 -1.7625 -1.7625 -1.6933 -1.6933 -1.6589 -1.6589 0.2069 0.2069 0.3552 0.3552 0.4748 0.4748 0.5017 0.5017 0.5717 0.5717 0.6982 0.6982 6.8222 6.8222 6.8506 6.8506 9.6339 9.6339 9.9535 9.9535 11.2454 11.2454 11.7285 11.7285 18.3904 18.3904 k = 0.3005 0.5206 0.3138 ( 1928 PWs) bands (ev): -1.7630 -1.7630 -1.7626 -1.7626 -1.6940 -1.6940 -1.6600 -1.6600 0.2079 0.2079 0.3525 0.3525 0.4728 0.4728 0.4974 0.4974 0.5787 0.5787 0.6997 0.6997 6.7598 6.7598 6.7859 6.7859 9.6582 9.6582 9.9516 9.9516 11.3606 11.3606 11.8205 11.8205 18.3448 18.3448 k = 0.2951 0.5111 0.3138 ( 1928 PWs) bands (ev): -1.7630 -1.7630 -1.7627 -1.7627 -1.6948 -1.6948 -1.6613 -1.6613 0.2091 0.2091 0.3494 0.3494 0.4704 0.4704 0.4937 0.4937 0.5854 0.5854 0.7014 0.7014 6.6857 6.6857 6.7095 6.7095 9.6941 9.6941 9.9640 9.9640 11.4823 11.4823 11.9222 11.9222 18.2918 18.2918 k = 0.2896 0.5016 0.3138 ( 1934 PWs) bands (ev): -1.7631 -1.7631 -1.7628 -1.7628 -1.6957 -1.6957 -1.6628 -1.6628 0.2105 0.2105 0.3458 0.3458 0.4678 0.4678 0.4906 0.4906 0.5917 0.5917 0.7030 0.7030 6.6007 6.6007 6.6223 6.6223 9.7420 9.7420 9.9913 9.9913 11.6093 11.6093 12.0322 12.0322 18.2320 18.2320 k = 0.2842 0.4922 0.3138 ( 1934 PWs) bands (ev): -1.7632 -1.7632 -1.7629 -1.7629 -1.6966 -1.6966 -1.6643 -1.6643 0.2122 0.2122 0.3420 0.3420 0.4649 0.4649 0.4880 0.4880 0.5976 0.5976 0.7045 0.7045 6.5061 6.5061 6.5256 6.5256 9.8017 9.8017 10.0330 10.0330 11.7408 11.7408 12.1493 12.1493 18.1661 18.1661 k = 0.2787 0.4827 0.3138 ( 1938 PWs) bands (ev): -1.7633 -1.7633 -1.7630 -1.7630 -1.6975 -1.6975 -1.6660 -1.6660 0.2141 0.2141 0.3379 0.3379 0.4617 0.4617 0.4860 0.4860 0.6030 0.6030 0.7059 0.7059 6.4030 6.4030 6.4207 6.4207 9.8728 9.8728 10.0885 10.0885 11.8760 11.8760 12.2726 12.2726 18.0948 18.0948 k = 0.2732 0.4732 0.3138 ( 1938 PWs) bands (ev): -1.7634 -1.7634 -1.7631 -1.7631 -1.6984 -1.6984 -1.6678 -1.6678 0.2162 0.2162 0.3337 0.3337 0.4584 0.4584 0.4844 0.4844 0.6080 0.6080 0.7071 0.7071 6.2929 6.2929 6.3090 6.3090 9.9546 9.9546 10.1568 10.1568 12.0146 12.0146 12.4015 12.4015 18.0191 18.0191 k = 0.2678 0.4638 0.3138 ( 1938 PWs) bands (ev): -1.7635 -1.7635 -1.7632 -1.7632 -1.6994 -1.6994 -1.6696 -1.6696 0.2186 0.2186 0.3294 0.3294 0.4548 0.4548 0.4831 0.4831 0.6124 0.6124 0.7081 0.7081 6.1770 6.1770 6.1917 6.1917 10.0464 10.0464 10.2370 10.2370 12.1563 12.1563 12.5352 12.5352 17.9396 17.9396 k = 0.2623 0.4543 0.3138 ( 1942 PWs) bands (ev): -1.7636 -1.7636 -1.7632 -1.7632 -1.7003 -1.7003 -1.6716 -1.6716 0.2213 0.2213 0.3250 0.3250 0.4511 0.4511 0.4823 0.4823 0.6162 0.6162 0.7088 0.7088 6.0565 6.0565 6.0701 6.0701 10.1473 10.1473 10.3279 10.3279 12.3006 12.3006 12.6734 12.6734 17.8572 17.8572 k = 0.2568 0.4448 0.3138 ( 1942 PWs) bands (ev): -1.7638 -1.7638 -1.7632 -1.7632 -1.7012 -1.7012 -1.6735 -1.6735 0.2243 0.2243 0.3206 0.3206 0.4472 0.4472 0.4817 0.4817 0.6195 0.6195 0.7091 0.7091 5.9326 5.9326 5.9453 5.9453 10.2568 10.2568 10.4288 10.4288 12.4474 12.4474 12.8156 12.8156 17.7724 17.7724 k = 0.2514 0.4354 0.3138 ( 1938 PWs) bands (ev): -1.7639 -1.7639 -1.7632 -1.7632 -1.7021 -1.7021 -1.6755 -1.6755 0.2275 0.2275 0.3163 0.3163 0.4432 0.4432 0.4814 0.4814 0.6221 0.6221 0.7090 0.7090 5.8061 5.8061 5.8181 5.8181 10.3740 10.3740 10.5387 10.5387 12.5965 12.5965 12.9615 12.9615 17.6861 17.6861 k = 0.2459 0.4259 0.3138 ( 1938 PWs) bands (ev): -1.7641 -1.7641 -1.7632 -1.7632 -1.7029 -1.7029 -1.6775 -1.6775 0.2309 0.2309 0.3120 0.3120 0.4391 0.4391 0.4813 0.4813 0.6241 0.6241 0.7085 0.7085 5.6779 5.6779 5.6893 5.6893 10.4984 10.4984 10.6568 10.6568 12.7476 12.7476 13.1107 13.1107 17.5987 17.5987 k = 0.2404 0.4164 0.3138 ( 1934 PWs) bands (ev): -1.7643 -1.7643 -1.7632 -1.7632 -1.7036 -1.7036 -1.6796 -1.6796 0.2347 0.2347 0.3080 0.3080 0.4349 0.4349 0.4815 0.4815 0.6254 0.6254 0.7076 0.7076 5.5488 5.5488 5.5598 5.5598 10.6294 10.6294 10.7823 10.7823 12.9005 12.9005 13.2631 13.2631 17.5110 17.5110 k = 0.2350 0.4070 0.3138 ( 1942 PWs) bands (ev): -1.7645 -1.7645 -1.7632 -1.7632 -1.7043 -1.7043 -1.6816 -1.6816 0.2387 0.2387 0.3040 0.3040 0.4305 0.4305 0.4818 0.4818 0.6261 0.6261 0.7062 0.7062 5.4194 5.4194 5.4300 5.4300 10.7665 10.7665 10.9147 10.9147 13.0551 13.0551 13.4183 13.4183 17.4235 17.4235 k = 0.2295 0.3975 0.3138 ( 1938 PWs) bands (ev): -1.7647 -1.7647 -1.7631 -1.7631 -1.7050 -1.7050 -1.6836 -1.6836 0.2430 0.2430 0.3003 0.3003 0.4261 0.4261 0.4822 0.4822 0.6261 0.6261 0.7043 0.7043 5.2901 5.2901 5.3005 5.3005 10.9091 10.9091 11.0533 11.0533 13.2111 13.2111 13.5761 13.5761 17.3367 17.3367 k = 0.2240 0.3881 0.3138 ( 1936 PWs) bands (ev): -1.7650 -1.7650 -1.7630 -1.7630 -1.7056 -1.7056 -1.6856 -1.6856 0.2475 0.2475 0.2967 0.2967 0.4217 0.4217 0.4828 0.4828 0.6255 0.6255 0.7020 0.7020 5.1616 5.1616 5.1717 5.1717 11.0568 11.0568 11.1976 11.1976 13.3683 13.3683 13.7364 13.7364 17.2512 17.2512 k = 0.2186 0.3786 0.3138 ( 1928 PWs) bands (ev): -1.7652 -1.7652 -1.7629 -1.7629 -1.7061 -1.7061 -1.6876 -1.6876 0.2522 0.2522 0.2934 0.2934 0.4172 0.4172 0.4836 0.4836 0.6243 0.6243 0.6992 0.6992 5.0341 5.0341 5.0440 5.0440 11.2092 11.2092 11.3471 11.3471 13.5264 13.5264 13.8988 13.8988 17.1674 17.1674 k = 0.2131 0.3691 0.3138 ( 1930 PWs) bands (ev): -1.7655 -1.7655 -1.7629 -1.7629 -1.7066 -1.7066 -1.6896 -1.6896 0.2572 0.2572 0.2903 0.2903 0.4127 0.4127 0.4844 0.4844 0.6224 0.6224 0.6959 0.6959 4.9080 4.9080 4.9178 4.9178 11.3659 11.3659 11.5012 11.5012 13.6850 13.6850 14.0632 14.0632 17.0860 17.0860 k = 0.2077 0.3597 0.3138 ( 1926 PWs) bands (ev): -1.7658 -1.7658 -1.7628 -1.7628 -1.7070 -1.7070 -1.6915 -1.6915 0.2624 0.2624 0.2875 0.2875 0.4082 0.4082 0.4854 0.4854 0.6199 0.6199 0.6921 0.6921 4.7836 4.7836 4.7933 4.7933 11.5264 11.5264 11.6595 11.6595 13.8440 13.8440 14.2292 14.2292 17.0075 17.0075 k = 0.2022 0.3502 0.3138 ( 1930 PWs) bands (ev): -1.7662 -1.7662 -1.7627 -1.7627 -1.7074 -1.7074 -1.6934 -1.6934 0.2678 0.2678 0.2849 0.2849 0.4037 0.4037 0.4864 0.4864 0.6168 0.6168 0.6879 0.6879 4.6612 4.6612 4.6707 4.6707 11.6902 11.6902 11.8214 11.8214 14.0027 14.0027 14.3965 14.3965 16.9326 16.9326 k = 0.1967 0.3407 0.3138 ( 1930 PWs) bands (ev): -1.7665 -1.7665 -1.7627 -1.7627 -1.7078 -1.7078 -1.6952 -1.6952 0.2733 0.2733 0.2825 0.2825 0.3993 0.3993 0.4876 0.4876 0.6132 0.6132 0.6833 0.6833 4.5410 4.5410 4.5504 4.5504 11.8570 11.8570 11.9865 11.9865 14.1608 14.1608 14.5647 14.5647 16.8620 16.8620 k = 0.1913 0.3313 0.3138 ( 1928 PWs) bands (ev): -1.7668 -1.7668 -1.7627 -1.7627 -1.7082 -1.7082 -1.6970 -1.6970 0.2789 0.2789 0.2803 0.2803 0.3950 0.3950 0.4889 0.4889 0.6090 0.6090 0.6783 0.6783 4.4231 4.4231 4.4324 4.4324 12.0261 12.0261 12.1541 12.1541 14.3177 14.3177 14.7332 14.7332 16.7968 16.7968 k = 0.1858 0.3218 0.3138 ( 1924 PWs) bands (ev): -1.7672 -1.7672 -1.7627 -1.7627 -1.7085 -1.7085 -1.6987 -1.6987 0.2784 0.2784 0.2846 0.2846 0.3908 0.3908 0.4903 0.4903 0.6043 0.6043 0.6730 0.6730 4.3078 4.3078 4.3169 4.3169 12.1970 12.1970 12.3235 12.3235 14.4726 14.4726 14.9013 14.9013 16.7381 16.7381 k = 0.1803 0.3123 0.3138 ( 1928 PWs) bands (ev): -1.7675 -1.7675 -1.7627 -1.7627 -1.7089 -1.7089 -1.7004 -1.7004 0.2766 0.2766 0.2902 0.2902 0.3868 0.3868 0.4918 0.4918 0.5992 0.5992 0.6673 0.6673 4.1952 4.1952 4.2041 4.2041 12.3691 12.3691 12.4942 12.4942 14.6249 14.6249 15.0678 15.0678 16.6875 16.6875 k = 0.1749 0.3029 0.3138 ( 1928 PWs) bands (ev): -1.7679 -1.7679 -1.7628 -1.7628 -1.7093 -1.7093 -1.7021 -1.7021 0.2751 0.2751 0.2956 0.2956 0.3831 0.3831 0.4934 0.4934 0.5937 0.5937 0.6614 0.6614 4.0853 4.0853 4.0940 4.0940 12.5416 12.5416 12.6651 12.6651 14.7735 14.7735 15.2313 15.2313 16.6471 16.6471 k = 0.1694 0.2934 0.3138 ( 1928 PWs) bands (ev): -1.7682 -1.7682 -1.7629 -1.7629 -1.7097 -1.7097 -1.7037 -1.7037 0.2737 0.2737 0.3007 0.3007 0.3800 0.3800 0.4951 0.4951 0.5878 0.5878 0.6552 0.6552 3.9784 3.9784 3.9868 3.9868 12.7137 12.7137 12.8353 12.8353 14.9176 14.9176 15.3895 15.3895 16.6200 16.6200 k = 0.1639 0.2839 0.3138 ( 1938 PWs) bands (ev): -1.7686 -1.7686 -1.7631 -1.7631 -1.7102 -1.7102 -1.7054 -1.7054 0.2725 0.2725 0.3052 0.3052 0.3775 0.3775 0.4970 0.4970 0.5816 0.5816 0.6488 0.6488 3.8744 3.8744 3.8826 3.8826 12.8843 12.8843 13.0037 13.0037 15.0562 15.0562 15.5390 15.5390 16.6101 16.6101 k = 0.1585 0.2745 0.3138 ( 1938 PWs) bands (ev): -1.7690 -1.7690 -1.7633 -1.7633 -1.7107 -1.7107 -1.7069 -1.7069 0.2714 0.2714 0.3090 0.3090 0.3759 0.3759 0.4989 0.4989 0.5751 0.5751 0.6423 0.6423 3.7735 3.7735 3.7815 3.7815 13.0521 13.0521 13.1687 13.1687 15.1888 15.1888 15.6756 15.6756 16.6231 16.6231 k = 0.1530 0.2650 0.3138 ( 1934 PWs) bands (ev): -1.7694 -1.7694 -1.7636 -1.7636 -1.7113 -1.7113 -1.7085 -1.7085 0.2704 0.2704 0.3115 0.3115 0.3756 0.3756 0.5010 0.5010 0.5685 0.5685 0.6357 0.6357 3.6757 3.6757 3.6834 3.6834 13.2159 13.2159 13.3289 13.3289 15.3152 15.3152 15.7946 15.7946 16.6646 16.6646 k = 0.1475 0.2555 0.3138 ( 1938 PWs) bands (ev): -1.7697 -1.7697 -1.7639 -1.7639 -1.7120 -1.7120 -1.7100 -1.7100 0.2695 0.2695 0.3128 0.3128 0.3768 0.3768 0.5032 0.5032 0.5617 0.5617 0.6290 0.6290 3.5811 3.5811 3.5886 3.5886 13.3738 13.3738 13.4821 13.4821 15.4360 15.4360 15.8936 15.8936 16.7385 16.7385 k = 0.1421 0.2461 0.3138 ( 1934 PWs) bands (ev): -1.7701 -1.7701 -1.7643 -1.7643 -1.7127 -1.7127 -1.7115 -1.7115 0.2686 0.2686 0.3126 0.3126 0.3794 0.3794 0.5056 0.5056 0.5549 0.5549 0.6225 0.6225 3.4898 3.4898 3.4969 3.4969 13.5240 13.5240 13.6264 13.6264 15.5529 15.5529 15.9748 15.9748 16.8442 16.8442 k = 0.1366 0.2366 0.3138 ( 1942 PWs) bands (ev): -1.7705 -1.7705 -1.7648 -1.7648 -1.7136 -1.7136 -1.7130 -1.7130 0.2678 0.2678 0.3111 0.3111 0.3833 0.3833 0.5080 0.5080 0.5481 0.5481 0.6160 0.6160 3.4017 3.4017 3.4085 3.4085 13.6643 13.6643 13.7594 13.7594 15.6684 15.6684 16.0454 16.0454 16.9765 16.9765 k = 0.1311 0.2272 0.3138 ( 1930 PWs) bands (ev): -1.7709 -1.7709 -1.7653 -1.7653 -1.7144 -1.7144 -1.7144 -1.7144 0.2669 0.2669 0.3085 0.3085 0.3882 0.3882 0.5104 0.5104 0.5414 0.5414 0.6096 0.6096 3.3170 3.3170 3.3233 3.3233 13.7928 13.7928 13.8790 13.8790 15.7857 15.7857 16.1138 16.1138 17.1286 17.1286 k = 0.1257 0.2177 0.3138 ( 1930 PWs) bands (ev): -1.7713 -1.7713 -1.7659 -1.7659 -1.7159 -1.7159 -1.7155 -1.7155 0.2661 0.2661 0.3052 0.3052 0.3939 0.3939 0.5127 0.5127 0.5352 0.5352 0.6035 0.6035 3.2355 3.2355 3.2415 3.2415 13.9073 13.9073 13.9836 13.9836 15.9082 15.9082 16.1877 16.1877 17.2944 17.2944 k = 0.1202 0.2082 0.3138 ( 1930 PWs) bands (ev): -1.7717 -1.7717 -1.7665 -1.7665 -1.7174 -1.7174 -1.7165 -1.7165 0.2651 0.2651 0.3014 0.3014 0.4001 0.4001 0.5144 0.5144 0.5299 0.5299 0.5977 0.5977 3.1574 3.1574 3.1630 3.1630 14.0065 14.0065 14.0721 14.0721 16.0387 16.0387 16.2723 16.2723 17.4698 17.4698 k = 0.1148 0.1988 0.3138 ( 1930 PWs) bands (ev): -1.7721 -1.7721 -1.7672 -1.7672 -1.7189 -1.7189 -1.7177 -1.7177 0.2640 0.2640 0.2971 0.2971 0.4066 0.4066 0.5140 0.5140 0.5270 0.5270 0.5922 0.5922 3.0826 3.0826 3.0878 3.0878 14.0896 14.0896 14.1444 14.1444 16.1790 16.1790 16.3708 16.3708 17.6518 17.6518 k = 0.1093 0.1893 0.3138 ( 1930 PWs) bands (ev): -1.7726 -1.7726 -1.7679 -1.7679 -1.7204 -1.7204 -1.7190 -1.7190 0.2629 0.2629 0.2926 0.2926 0.4131 0.4131 0.5106 0.5106 0.5276 0.5276 0.5871 0.5871 3.0113 3.0113 3.0160 3.0160 14.1567 14.1567 14.2011 14.2011 16.3299 16.3299 16.4846 16.4846 17.8383 17.8383 k = 0.1038 0.1798 0.3138 ( 1922 PWs) bands (ev): -1.7730 -1.7730 -1.7686 -1.7686 -1.7218 -1.7218 -1.7203 -1.7203 0.2616 0.2616 0.2879 0.2879 0.4196 0.4196 0.5057 0.5057 0.5301 0.5301 0.5825 0.5825 2.9432 2.9432 2.9476 2.9476 14.2087 14.2087 14.2438 14.2438 16.4909 16.4909 16.6135 16.6135 18.0280 18.0280 k = 0.0984 0.1704 0.3138 ( 1918 PWs) bands (ev): -1.7734 -1.7734 -1.7694 -1.7694 -1.7233 -1.7233 -1.7217 -1.7217 0.2602 0.2602 0.2832 0.2832 0.4259 0.4259 0.5005 0.5005 0.5333 0.5333 0.5784 0.5784 2.8786 2.8786 2.8825 2.8825 14.2471 14.2471 14.2743 14.2743 16.6610 16.6610 16.7563 16.7563 18.2198 18.2198 k = 0.0929 0.1609 0.3138 ( 1918 PWs) bands (ev): -1.7739 -1.7739 -1.7703 -1.7703 -1.7247 -1.7247 -1.7231 -1.7231 0.2586 0.2586 0.2785 0.2785 0.4319 0.4319 0.4955 0.4955 0.5369 0.5369 0.5750 0.5750 2.8174 2.8174 2.8208 2.8208 14.2740 14.2740 14.2946 14.2946 16.8387 16.8387 16.9111 16.9111 18.4126 18.4126 k = 0.0874 0.1514 0.3138 ( 1918 PWs) bands (ev): -1.7744 -1.7744 -1.7712 -1.7712 -1.7262 -1.7262 -1.7246 -1.7246 0.2568 0.2568 0.2738 0.2738 0.4374 0.4374 0.4907 0.4907 0.5407 0.5407 0.5722 0.5722 2.7595 2.7595 2.7626 2.7626 14.2912 14.2912 14.3067 14.3067 17.0222 17.0222 17.0755 17.0755 18.6058 18.6058 k = 0.0820 0.1420 0.3138 ( 1912 PWs) bands (ev): -1.7749 -1.7749 -1.7720 -1.7720 -1.7275 -1.7275 -1.7261 -1.7261 0.2550 0.2550 0.2692 0.2692 0.4425 0.4425 0.4863 0.4863 0.5446 0.5446 0.5701 0.5701 2.7051 2.7051 2.7077 2.7077 14.3008 14.3008 14.3122 14.3122 17.2094 17.2094 17.2471 17.2471 18.7875 18.7875 k = 0.0765 0.1325 0.3138 ( 1916 PWs) bands (ev): -1.7754 -1.7754 -1.7729 -1.7729 -1.7289 -1.7289 -1.7276 -1.7276 0.2530 0.2530 0.2647 0.2647 0.4469 0.4469 0.4822 0.4822 0.5487 0.5487 0.5688 0.5688 2.6540 2.6540 2.6563 2.6563 14.3044 14.3044 14.3128 14.3128 17.3985 17.3985 17.4236 17.4236 18.9664 18.9664 k = 0.0710 0.1230 0.3138 ( 1912 PWs) bands (ev): -1.7759 -1.7759 -1.7738 -1.7738 -1.7303 -1.7303 -1.7291 -1.7291 0.2509 0.2509 0.2604 0.2604 0.4506 0.4506 0.4785 0.4785 0.5527 0.5527 0.5683 0.5683 2.6064 2.6064 2.6083 2.6083 14.3036 14.3036 14.3095 14.3095 17.5874 17.5874 17.6025 17.6025 19.1455 19.1455 k = 0.0656 0.1136 0.3138 ( 1912 PWs) bands (ev): -1.7765 -1.7765 -1.7747 -1.7747 -1.7315 -1.7315 -1.7305 -1.7305 0.2487 0.2487 0.2562 0.2562 0.4537 0.4537 0.4752 0.4752 0.5568 0.5568 0.5685 0.5685 2.5622 2.5622 2.5637 2.5637 14.2994 14.2994 14.3037 14.3037 17.7740 17.7740 17.7813 17.7813 19.3237 19.3237 k = 0.0601 0.1041 0.3138 ( 1912 PWs) bands (ev): -1.7770 -1.7770 -1.7756 -1.7756 -1.7328 -1.7328 -1.7319 -1.7319 0.2466 0.2466 0.2524 0.2524 0.4561 0.4561 0.4722 0.4722 0.5608 0.5608 0.5693 0.5693 2.5214 2.5214 2.5226 2.5226 14.2931 14.2931 14.2960 14.2960 17.9562 17.9562 17.9578 17.9578 19.5003 19.5003 k = 0.0546 0.0946 0.3138 ( 1912 PWs) bands (ev): -1.7776 -1.7776 -1.7765 -1.7765 -1.7339 -1.7339 -1.7332 -1.7332 0.2444 0.2444 0.2488 0.2488 0.4578 0.4578 0.4697 0.4697 0.5647 0.5647 0.5708 0.5708 2.4840 2.4840 2.4850 2.4850 14.2852 14.2852 14.2872 14.2872 18.1294 18.1294 18.1317 18.1317 19.6741 19.6741 k = 0.0492 0.0852 0.3138 ( 1912 PWs) bands (ev): -1.7781 -1.7781 -1.7773 -1.7773 -1.7350 -1.7350 -1.7344 -1.7344 0.2422 0.2422 0.2454 0.2454 0.4591 0.4591 0.4675 0.4675 0.5685 0.5685 0.5726 0.5726 2.4501 2.4501 2.4509 2.4509 14.2766 14.2766 14.2780 14.2780 18.2936 18.2936 18.2982 18.2982 19.8444 19.8444 k = 0.0437 0.0757 0.3138 ( 1908 PWs) bands (ev): -1.7786 -1.7786 -1.7780 -1.7780 -1.7360 -1.7360 -1.7356 -1.7356 0.2402 0.2402 0.2424 0.2424 0.4598 0.4598 0.4656 0.4656 0.5720 0.5720 0.5747 0.5747 2.4198 2.4198 2.4203 2.4203 14.2678 14.2678 14.2687 14.2687 18.4478 18.4478 18.4533 18.4533 20.0097 20.0097 k = 0.0383 0.0663 0.3138 ( 1908 PWs) bands (ev): -1.7792 -1.7792 -1.7787 -1.7787 -1.7368 -1.7368 -1.7366 -1.7366 0.2383 0.2383 0.2398 0.2398 0.4603 0.4603 0.4640 0.4640 0.5753 0.5753 0.5770 0.5770 2.3929 2.3929 2.3932 2.3932 14.2592 14.2592 14.2597 14.2597 18.5894 18.5894 18.5947 18.5947 20.1687 20.1687 k = 0.0328 0.0568 0.3138 ( 1908 PWs) bands (ev): -1.7796 -1.7796 -1.7794 -1.7794 -1.7376 -1.7376 -1.7374 -1.7374 0.2365 0.2365 0.2374 0.2374 0.4604 0.4604 0.4627 0.4627 0.5782 0.5782 0.5792 0.5792 2.3695 2.3695 2.3697 2.3697 14.2511 14.2511 14.2514 14.2514 18.7160 18.7160 18.7204 18.7204 20.3193 20.3193 k = 0.0273 0.0473 0.3138 ( 1908 PWs) bands (ev): -1.7801 -1.7801 -1.7799 -1.7799 -1.7383 -1.7383 -1.7382 -1.7382 0.2349 0.2349 0.2354 0.2354 0.4604 0.4604 0.4617 0.4617 0.5808 0.5808 0.5813 0.5813 2.3497 2.3497 2.3498 2.3498 14.2439 14.2439 14.2440 14.2440 18.8255 18.8255 18.8287 18.8287 20.4588 20.4588 k = 0.0219 0.0379 0.3138 ( 1908 PWs) bands (ev): -1.7805 -1.7805 -1.7804 -1.7804 -1.7389 -1.7389 -1.7388 -1.7388 0.2335 0.2335 0.2338 0.2338 0.4602 0.4602 0.4609 0.4609 0.5830 0.5830 0.5832 0.5832 2.3334 2.3334 2.3335 2.3335 14.2377 14.2377 14.2378 14.2378 18.9164 18.9164 18.9183 18.9183 20.5835 20.5835 k = 0.0164 0.0284 0.3138 ( 1912 PWs) bands (ev): -1.7808 -1.7808 -1.7807 -1.7807 -1.7393 -1.7393 -1.7393 -1.7393 0.2324 0.2324 0.2326 0.2326 0.4600 0.4600 0.4603 0.4603 0.5847 0.5847 0.5848 0.5848 2.3208 2.3208 2.3208 2.3208 14.2327 14.2327 14.2327 14.2327 18.9875 18.9875 18.9884 18.9884 20.6885 20.6885 k = 0.0109 0.0189 0.3138 ( 1912 PWs) bands (ev): -1.7810 -1.7810 -1.7810 -1.7810 -1.7397 -1.7397 -1.7397 -1.7397 0.2316 0.2316 0.2317 0.2317 0.4599 0.4599 0.4599 0.4599 0.5859 0.5859 0.5860 0.5860 2.3117 2.3117 2.3117 2.3117 14.2290 14.2290 14.2290 14.2290 19.0384 19.0384 19.0387 19.0387 20.7687 20.7687 k = 0.0055 0.0095 0.3138 ( 1914 PWs) bands (ev): -1.7811 -1.7811 -1.7811 -1.7811 -1.7399 -1.7399 -1.7399 -1.7399 0.2311 0.2311 0.2311 0.2311 0.4597 0.4597 0.4597 0.4597 0.5867 0.5867 0.5867 0.5867 2.3062 2.3062 2.3062 2.3062 14.2268 14.2268 14.2268 14.2268 19.0688 19.0688 19.0689 19.0689 20.8189 20.8190 k = 0.0000 0.0000 0.3138 ( 1918 PWs) bands (ev): -1.7812 -1.7812 -1.7812 -1.7812 -1.7399 -1.7399 -1.7399 -1.7399 0.2310 0.2310 0.2310 0.2310 0.4597 0.4597 0.4597 0.4597 0.5869 0.5869 0.5869 0.5869 2.3044 2.3044 2.3044 2.3044 14.2261 14.2261 14.2261 14.2261 19.0790 19.0790 19.0790 19.0790 20.8359 20.8359 k = 0.5000 0.2887 0.3138 ( 1932 PWs) bands (ev): -1.7773 -1.7773 -1.7773 -1.7773 -1.7164 -1.7164 -1.7164 -1.7164 0.2698 0.2698 0.2698 0.2698 0.4203 0.4203 0.4203 0.4203 0.7754 0.7754 0.7754 0.7754 6.3103 6.3103 6.3103 6.3103 8.5266 8.5266 8.5266 8.5266 16.1021 16.1021 16.1021 16.1021 17.5964 17.5964 k = 0.5000 0.2887 0.3030 ( 1932 PWs) bands (ev): -1.7779 -1.7779 -1.7766 -1.7766 -1.7179 -1.7179 -1.7148 -1.7148 0.2650 0.2650 0.2749 0.2749 0.4158 0.4158 0.4249 0.4249 0.7665 0.7665 0.7839 0.7839 6.2488 6.2488 6.3697 6.3697 8.4572 8.4572 8.6041 8.6041 16.0003 16.0003 16.1992 16.1992 17.4742 17.4742 k = 0.5000 0.2887 0.2922 ( 1932 PWs) bands (ev): -1.7786 -1.7786 -1.7760 -1.7760 -1.7194 -1.7194 -1.7131 -1.7131 0.2605 0.2605 0.2801 0.2801 0.4115 0.4115 0.4296 0.4296 0.7573 0.7573 0.7921 0.7921 6.1862 6.1862 6.4259 6.4259 8.3969 8.3969 8.6885 8.6885 15.8950 15.8950 16.2895 16.2895 17.3440 17.3440 k = 0.5000 0.2887 0.2813 ( 1928 PWs) bands (ev): -1.7793 -1.7793 -1.7754 -1.7754 -1.7208 -1.7208 -1.7115 -1.7115 0.2562 0.2562 0.2855 0.2855 0.4072 0.4072 0.4344 0.4344 0.7479 0.7479 0.7998 0.7998 6.1233 6.1233 6.4778 6.4778 8.3471 8.3471 8.7790 8.7790 15.7868 15.7868 16.3689 16.3689 17.2117 17.2117 k = 0.5000 0.2887 0.2705 ( 1938 PWs) bands (ev): -1.7800 -1.7800 -1.7749 -1.7749 -1.7222 -1.7222 -1.7098 -1.7098 0.2524 0.2524 0.2910 0.2910 0.4032 0.4032 0.4392 0.4392 0.7382 0.7382 0.8071 0.8071 6.0607 6.0607 6.5239 6.5239 8.3092 8.3092 8.8747 8.8747 15.6758 15.6758 16.4298 16.4298 17.0860 17.0860 k = 0.5000 0.2887 0.2597 ( 1938 PWs) bands (ev): -1.7806 -1.7806 -1.7745 -1.7745 -1.7235 -1.7235 -1.7081 -1.7081 0.2489 0.2489 0.2966 0.2966 0.3992 0.3992 0.4440 0.4440 0.7284 0.7284 0.8139 0.8139 5.9990 5.9990 6.5630 6.5630 8.2847 8.2847 8.9752 8.9752 15.5619 15.5619 16.4573 16.4573 16.9817 16.9817 k = 0.5000 0.2887 0.2489 ( 1930 PWs) bands (ev): -1.7811 -1.7811 -1.7741 -1.7741 -1.7246 -1.7246 -1.7064 -1.7064 0.2458 0.2458 0.3021 0.3021 0.3955 0.3955 0.4488 0.4488 0.7185 0.7185 0.8202 0.8202 5.9384 5.9384 6.5937 6.5937 8.2747 8.2747 9.0797 9.0797 15.4447 15.4447 16.4319 16.4319 16.9171 16.9171 k = 0.5000 0.2887 0.2381 ( 1930 PWs) bands (ev): -1.7816 -1.7816 -1.7738 -1.7738 -1.7258 -1.7258 -1.7048 -1.7048 0.2431 0.2431 0.3077 0.3077 0.3919 0.3919 0.4536 0.4536 0.7086 0.7086 0.8261 0.8261 5.8794 5.8794 6.6152 6.6152 8.2801 8.2801 9.1877 9.1877 15.3234 15.3234 16.3513 16.3513 16.8922 16.8922 k = 0.5000 0.2887 0.2272 ( 1930 PWs) bands (ev): -1.7820 -1.7820 -1.7735 -1.7735 -1.7268 -1.7268 -1.7032 -1.7032 0.2409 0.2409 0.3132 0.3132 0.3885 0.3885 0.4582 0.4582 0.6988 0.6988 0.8314 0.8314 5.8222 5.8222 6.6272 6.6272 8.3013 8.3013 9.2989 9.2989 15.1974 15.1974 16.2372 16.2372 16.8817 16.8817 k = 0.5000 0.2887 0.2164 ( 1930 PWs) bands (ev): -1.7824 -1.7824 -1.7734 -1.7734 -1.7277 -1.7277 -1.7017 -1.7017 0.2391 0.2391 0.3185 0.3185 0.3853 0.3853 0.4625 0.4625 0.6891 0.6891 0.8363 0.8363 5.7670 5.7670 6.6300 6.6300 8.3380 8.3380 9.4126 9.4126 15.0659 15.0659 16.1099 16.1099 16.8615 16.8615 k = 0.5000 0.2887 0.2056 ( 1932 PWs) bands (ev): -1.7827 -1.7827 -1.7732 -1.7732 -1.7285 -1.7285 -1.7003 -1.7003 0.2378 0.2378 0.3237 0.3237 0.3824 0.3824 0.4666 0.4666 0.6797 0.6797 0.8406 0.8406 5.7141 5.7141 6.6243 6.6243 8.3894 8.3894 9.5286 9.5286 14.9283 14.9283 15.9806 15.9806 16.8190 16.8190 k = 0.5000 0.2887 0.1948 ( 1938 PWs) bands (ev): -1.7830 -1.7830 -1.7731 -1.7731 -1.7292 -1.7292 -1.6991 -1.6991 0.2369 0.2369 0.3286 0.3286 0.3796 0.3796 0.4703 0.4703 0.6708 0.6708 0.8445 0.8445 5.6635 5.6635 6.6114 6.6114 8.4543 8.4543 9.6462 9.6462 14.7841 14.7841 15.8552 15.8552 16.7506 16.7506 k = 0.5000 0.2887 0.1840 ( 1944 PWs) bands (ev): -1.7833 -1.7833 -1.7730 -1.7730 -1.7297 -1.7297 -1.6979 -1.6979 0.2365 0.2365 0.3333 0.3333 0.3772 0.3772 0.4735 0.4735 0.6624 0.6624 0.8478 0.8478 5.6154 5.6154 6.5925 6.5925 8.5312 8.5312 9.7651 9.7651 14.6334 14.6334 15.7365 15.7365 16.6585 16.6585 k = 0.5000 0.2887 0.1731 ( 1936 PWs) bands (ev): -1.7835 -1.7835 -1.7729 -1.7729 -1.7301 -1.7301 -1.6969 -1.6969 0.2365 0.2365 0.3377 0.3377 0.3751 0.3751 0.4760 0.4760 0.6547 0.6547 0.8508 0.8508 5.5698 5.5698 6.5691 6.5691 8.6186 8.6186 9.8848 9.8848 14.4766 14.4766 15.6260 15.6260 16.5475 16.5475 k = 0.5000 0.2887 0.1623 ( 1940 PWs) bands (ev): -1.7837 -1.7837 -1.7728 -1.7728 -1.7304 -1.7304 -1.6961 -1.6961 0.2370 0.2370 0.3417 0.3417 0.3733 0.3733 0.4777 0.4777 0.6478 0.6478 0.8532 0.8532 5.5269 5.5269 6.5425 6.5425 8.7151 8.7151 10.0046 10.0046 14.3147 14.3147 15.5243 15.5243 16.4229 16.4229 k = 0.5000 0.2887 0.1515 ( 1940 PWs) bands (ev): -1.7840 -1.7840 -1.7726 -1.7726 -1.7304 -1.7304 -1.6955 -1.6955 0.2378 0.2378 0.3451 0.3451 0.3721 0.3721 0.4786 0.4786 0.6419 0.6419 0.8553 0.8553 5.4866 5.4866 6.5140 6.5140 8.8193 8.8193 10.1239 10.1239 14.1490 14.1490 15.4313 15.4313 16.2891 16.2891 k = 0.5000 0.2887 0.1407 ( 1936 PWs) bands (ev): -1.7843 -1.7843 -1.7724 -1.7724 -1.7303 -1.7303 -1.6951 -1.6951 0.2390 0.2390 0.3480 0.3480 0.3714 0.3714 0.4784 0.4784 0.6371 0.6371 0.8569 0.8569 5.4490 5.4490 6.4844 6.4844 8.9300 8.9300 10.2420 10.2420 13.9808 13.9808 15.3466 15.3466 16.1499 16.1499 k = 0.5000 0.2887 0.1298 ( 1936 PWs) bands (ev): -1.7846 -1.7846 -1.7722 -1.7722 -1.7300 -1.7300 -1.6949 -1.6949 0.2404 0.2404 0.3502 0.3502 0.3715 0.3715 0.4772 0.4772 0.6334 0.6334 0.8582 0.8582 5.4141 5.4141 6.4547 6.4547 9.0460 9.0460 10.3581 10.3581 13.8118 13.8118 15.2697 15.2697 16.0083 16.0083 k = 0.5000 0.2887 0.1190 ( 1928 PWs) bands (ev): -1.7849 -1.7849 -1.7719 -1.7719 -1.7295 -1.7295 -1.6949 -1.6949 0.2422 0.2422 0.3516 0.3516 0.3723 0.3723 0.4750 0.4750 0.6307 0.6308 0.8591 0.8591 5.3820 5.3820 6.4255 6.4255 9.1663 9.1663 10.4709 10.4709 13.6434 13.6434 15.2000 15.2000 15.8670 15.8670 k = 0.5000 0.2887 0.1082 ( 1928 PWs) bands (ev): -1.7852 -1.7852 -1.7716 -1.7716 -1.7288 -1.7288 -1.6952 -1.6952 0.2441 0.2441 0.3524 0.3524 0.3738 0.3738 0.4718 0.4718 0.6291 0.6291 0.8598 0.8598 5.3527 5.3527 6.3974 6.3974 9.2897 9.2897 10.5795 10.5795 13.4775 13.4775 15.1369 15.1369 15.7283 15.7283 k = 0.5000 0.2887 0.0974 ( 1924 PWs) bands (ev): -1.7856 -1.7856 -1.7714 -1.7714 -1.7278 -1.7278 -1.6956 -1.6956 0.2462 0.2462 0.3527 0.3527 0.3757 0.3757 0.4678 0.4678 0.6284 0.6284 0.8602 0.8602 5.3262 5.3262 6.3709 6.3709 9.4151 9.4151 10.6821 10.6821 13.3160 13.3160 15.0798 15.0798 15.5943 15.5943 k = 0.5000 0.2887 0.0866 ( 1924 PWs) bands (ev): -1.7859 -1.7859 -1.7711 -1.7711 -1.7267 -1.7267 -1.6963 -1.6963 0.2484 0.2484 0.3528 0.3528 0.3780 0.3780 0.4632 0.4632 0.6284 0.6284 0.8604 0.8604 5.3024 5.3024 6.3464 6.3464 9.5412 9.5412 10.7772 10.7772 13.1608 13.1608 15.0281 15.0281 15.4673 15.4673 k = 0.5000 0.2887 0.0757 ( 1928 PWs) bands (ev): -1.7863 -1.7863 -1.7709 -1.7709 -1.7254 -1.7254 -1.6972 -1.6972 0.2505 0.2505 0.3528 0.3528 0.3804 0.3804 0.4581 0.4581 0.6288 0.6288 0.8605 0.8605 5.2815 5.2815 6.3242 6.3242 9.6665 9.6665 10.8626 10.8626 13.0144 13.0144 14.9810 14.9810 15.3498 15.3498 k = 0.5000 0.2887 0.0649 ( 1928 PWs) bands (ev): -1.7866 -1.7866 -1.7707 -1.7707 -1.7240 -1.7240 -1.6982 -1.6982 0.2526 0.2526 0.3528 0.3528 0.3828 0.3828 0.4529 0.4529 0.6297 0.6297 0.8604 0.8604 5.2634 5.2634 6.3044 6.3044 9.7890 9.7891 10.9362 10.9362 12.8795 12.8795 14.9376 14.9376 15.2444 15.2444 k = 0.5000 0.2887 0.0541 ( 1940 PWs) bands (ev): -1.7869 -1.7869 -1.7706 -1.7706 -1.7225 -1.7225 -1.6994 -1.6994 0.2545 0.2545 0.3527 0.3527 0.3853 0.3853 0.4477 0.4477 0.6306 0.6306 0.8602 0.8602 5.2480 5.2480 6.2874 6.2874 9.9063 9.9063 10.9957 10.9957 12.7591 12.7591 14.8970 14.8970 15.1542 15.1542 k = 0.5000 0.2887 0.0433 ( 1936 PWs) bands (ev): -1.7872 -1.7872 -1.7705 -1.7705 -1.7209 -1.7209 -1.7006 -1.7006 0.2562 0.2562 0.3528 0.3528 0.3877 0.3877 0.4428 0.4428 0.6316 0.6316 0.8600 0.8600 5.2354 5.2354 6.2733 6.2733 10.0147 10.0147 11.0397 11.0397 12.6564 12.6564 14.8584 14.8584 15.0817 15.0817 k = 0.5000 0.2887 0.0325 ( 1934 PWs) bands (ev): -1.7874 -1.7874 -1.7704 -1.7704 -1.7194 -1.7194 -1.7018 -1.7018 0.2576 0.2576 0.3529 0.3529 0.3900 0.3900 0.4384 0.4384 0.6325 0.6325 0.8599 0.8599 5.2257 5.2257 6.2623 6.2623 10.1099 10.1099 11.0680 11.0680 12.5744 12.5744 14.8227 14.8227 15.0282 15.0282 k = 0.5000 0.2887 0.0216 ( 1934 PWs) bands (ev): -1.7875 -1.7875 -1.7703 -1.7703 -1.7181 -1.7181 -1.7030 -1.7030 0.2586 0.2586 0.3529 0.3529 0.3919 0.3919 0.4349 0.4349 0.6332 0.6332 0.8597 0.8597 5.2187 5.2187 6.2543 6.2543 10.1857 10.1857 11.0827 11.0827 12.5149 12.5149 14.7929 14.7929 14.9927 14.9927 k = 0.5000 0.2887 0.0108 ( 1928 PWs) bands (ev): -1.7876 -1.7876 -1.7703 -1.7703 -1.7171 -1.7171 -1.7038 -1.7038 0.2593 0.2593 0.3530 0.3530 0.3933 0.3933 0.4326 0.4326 0.6337 0.6337 0.8596 0.8596 5.2145 5.2145 6.2495 6.2495 10.2353 10.2353 11.0882 11.0882 12.4792 12.4792 14.7728 14.7728 14.9729 14.9729 k = 0.5000 0.2887-0.0000 ( 1930 PWs) bands (ev): -1.7876 -1.7876 -1.7703 -1.7703 -1.7168 -1.7168 -1.7041 -1.7041 0.2595 0.2595 0.3530 0.3530 0.3937 0.3937 0.4317 0.4317 0.6339 0.6339 0.8596 0.8596 5.2131 5.2131 6.2478 6.2478 10.2527 10.2527 11.0893 11.0893 12.4673 12.4673 14.7657 14.7657 14.9665 14.9665 k = 0.3333 0.5774-0.0000 ( 1941 PWs) bands (ev): -1.7638 -1.7638 -1.7255 -1.7255 -1.7042 -1.7042 -1.6851 -1.6851 0.2617 0.2617 0.3557 0.3557 0.3736 0.3736 0.5234 0.5234 0.6443 0.6443 0.6999 0.6999 6.3621 6.3621 6.4281 6.4281 9.4778 9.4778 12.1345 12.1345 13.1773 13.1773 13.3898 13.3898 14.2656 14.2656 k = 0.3333 0.5774 0.0108 ( 1938 PWs) bands (ev): -1.7637 -1.7637 -1.7256 -1.7256 -1.7044 -1.7044 -1.6849 -1.6849 0.2621 0.2621 0.3515 0.3515 0.3777 0.3777 0.5231 0.5231 0.6444 0.6444 0.6996 0.6996 6.3634 6.3634 6.4293 6.4293 9.4797 9.4797 12.1192 12.1192 13.1207 13.1207 13.4265 13.4265 14.2839 14.2839 k = 0.3333 0.5774 0.0216 ( 1944 PWs) bands (ev): -1.7635 -1.7635 -1.7260 -1.7260 -1.7049 -1.7049 -1.6842 -1.6842 0.2633 0.2633 0.3433 0.3433 0.3855 0.3855 0.5222 0.5222 0.6447 0.6447 0.6989 0.6989 6.3672 6.3672 6.4332 6.4332 9.4854 9.4854 12.0748 12.0748 13.0052 13.0052 13.4824 13.4824 14.3372 14.3372 k = 0.3333 0.5774 0.0325 ( 1938 PWs) bands (ev): -1.7633 -1.7633 -1.7265 -1.7265 -1.7056 -1.7056 -1.6832 -1.6832 0.2653 0.2653 0.3342 0.3342 0.3940 0.3940 0.5208 0.5208 0.6453 0.6453 0.6976 0.6976 6.3736 6.3736 6.4395 6.4395 9.4950 9.4950 12.0054 12.0054 12.8701 12.8701 13.5191 13.5191 14.4215 14.4215 k = 0.3333 0.5774 0.0433 ( 1932 PWs) bands (ev): -1.7629 -1.7629 -1.7273 -1.7273 -1.7064 -1.7064 -1.6819 -1.6819 0.2680 0.2680 0.3249 0.3249 0.4024 0.4024 0.5189 0.5189 0.6461 0.6461 0.6958 0.6958 6.3826 6.3826 6.4484 6.4484 9.5084 9.5084 11.9160 11.9160 12.7264 12.7264 13.5290 13.5290 14.5316 14.5316 k = 0.3333 0.5774 0.0541 ( 1932 PWs) bands (ev): -1.7624 -1.7624 -1.7283 -1.7283 -1.7072 -1.7072 -1.6804 -1.6804 0.2715 0.2715 0.3156 0.3156 0.4104 0.4104 0.5167 0.5167 0.6472 0.6472 0.6935 0.6935 6.3940 6.3940 6.4597 6.4597 9.5255 9.5255 11.8117 11.8117 12.5788 12.5788 13.5132 13.5132 14.6625 14.6625 k = 0.3333 0.5774 0.0649 ( 1932 PWs) bands (ev): -1.7619 -1.7619 -1.7294 -1.7294 -1.7081 -1.7081 -1.6788 -1.6788 0.2758 0.2758 0.3064 0.3064 0.4178 0.4178 0.5141 0.5141 0.6484 0.6484 0.6908 0.6908 6.4078 6.4078 6.4734 6.4734 9.5462 9.5462 11.6969 11.6969 12.4297 12.4297 13.4759 13.4759 14.8099 14.8099 k = 0.3333 0.5774 0.0757 ( 1932 PWs) bands (ev): -1.7613 -1.7613 -1.7308 -1.7308 -1.7088 -1.7088 -1.6772 -1.6772 0.2808 0.2808 0.2975 0.2975 0.4244 0.4244 0.5115 0.5115 0.6499 0.6499 0.6875 0.6875 6.4240 6.4240 6.4895 6.4895 9.5706 9.5706 11.5750 11.5750 12.2810 12.2810 13.4213 13.4213 14.9701 14.9701 k = 0.3333 0.5774 0.0866 ( 1932 PWs) bands (ev): -1.7608 -1.7608 -1.7323 -1.7323 -1.7094 -1.7094 -1.6755 -1.6755 0.2865 0.2865 0.2888 0.2888 0.4300 0.4300 0.5091 0.5091 0.6515 0.6515 0.6837 0.6837 6.4425 6.4425 6.5077 6.5077 9.5985 9.5985 11.4486 11.4486 12.1337 12.1337 13.3533 13.3533 15.1405 15.1405 k = 0.3333 0.5774 0.0974 ( 1935 PWs) bands (ev): -1.7602 -1.7602 -1.7339 -1.7339 -1.7098 -1.7098 -1.6737 -1.6737 0.2804 0.2804 0.2928 0.2928 0.4342 0.4342 0.5071 0.5071 0.6534 0.6534 0.6794 0.6794 6.4633 6.4633 6.5281 6.5281 9.6298 9.6298 11.3198 11.3198 11.9889 11.9889 13.2749 13.2749 15.3191 15.3191 k = 0.3333 0.5774 0.1082 ( 1935 PWs) bands (ev): -1.7598 -1.7598 -1.7357 -1.7357 -1.7100 -1.7100 -1.6720 -1.6720 0.2723 0.2723 0.2998 0.2998 0.4368 0.4368 0.5059 0.5059 0.6555 0.6555 0.6747 0.6747 6.4861 6.4861 6.5504 6.5504 9.6643 9.6643 11.1903 11.1903 11.8471 11.8471 13.1883 13.1883 15.5039 15.5040 k = 0.3333 0.5774 0.1190 ( 1932 PWs) bands (ev): -1.7594 -1.7594 -1.7375 -1.7375 -1.7100 -1.7100 -1.6704 -1.6704 0.2647 0.2647 0.3074 0.3074 0.4375 0.4375 0.5057 0.5057 0.6577 0.6577 0.6695 0.6695 6.5108 6.5108 6.5746 6.5746 9.7019 9.7019 11.0612 11.0612 11.7091 11.7091 13.0955 13.0955 15.6939 15.6939 k = 0.3333 0.5774 0.1298 ( 1929 PWs) bands (ev): -1.7590 -1.7590 -1.7395 -1.7395 -1.7097 -1.7097 -1.6687 -1.6687 0.2575 0.2575 0.3156 0.3156 0.4364 0.4364 0.5065 0.5065 0.6601 0.6601 0.6638 0.6638 6.5374 6.5374 6.6004 6.6004 9.7423 9.7423 10.9336 10.9336 11.5755 11.5755 12.9980 12.9980 15.8878 15.8878 k = 0.3333 0.5774 0.1407 ( 1929 PWs) bands (ev): -1.7589 -1.7589 -1.7414 -1.7414 -1.7092 -1.7092 -1.6672 -1.6672 0.2507 0.2507 0.3242 0.3242 0.4336 0.4336 0.5083 0.5083 0.6577 0.6577 0.6626 0.6626 6.5656 6.5656 6.6277 6.6277 9.7852 9.7852 10.8082 10.8082 11.4470 11.4470 12.8969 12.8969 16.0845 16.0845 k = 0.3333 0.5774 0.1515 ( 1929 PWs) bands (ev): -1.7588 -1.7588 -1.7434 -1.7434 -1.7084 -1.7084 -1.6657 -1.6657 0.2444 0.2444 0.3334 0.3334 0.4296 0.4296 0.5106 0.5106 0.6512 0.6512 0.6652 0.6652 6.5951 6.5951 6.6562 6.6562 9.8303 9.8303 10.6859 10.6859 11.3241 11.3241 12.7932 12.7932 16.2832 16.2832 k = 0.3333 0.5774 0.1623 ( 1935 PWs) bands (ev): -1.7588 -1.7588 -1.7455 -1.7455 -1.7074 -1.7074 -1.6644 -1.6644 0.2385 0.2385 0.3429 0.3429 0.4245 0.4245 0.5134 0.5134 0.6442 0.6442 0.6679 0.6679 6.6259 6.6259 6.6858 6.6858 9.8770 9.8770 10.5672 10.5672 11.2078 11.2078 12.6878 12.6878 16.4830 16.4830 k = 0.3333 0.5774 0.1731 ( 1935 PWs) bands (ev): -1.7589 -1.7589 -1.7475 -1.7475 -1.7062 -1.7062 -1.6631 -1.6631 0.2332 0.2332 0.3529 0.3529 0.4188 0.4188 0.5163 0.5163 0.6368 0.6368 0.6707 0.6707 6.6576 6.6576 6.7159 6.7159 9.9246 9.9246 10.4527 10.4527 11.0990 11.0990 12.5813 12.5813 16.6829 16.6829 k = 0.3333 0.5774 0.1840 ( 1935 PWs) bands (ev): -1.7592 -1.7592 -1.7494 -1.7494 -1.7048 -1.7048 -1.6619 -1.6619 0.2284 0.2284 0.3632 0.3632 0.4126 0.4126 0.5192 0.5192 0.6290 0.6290 0.6734 0.6734 6.6898 6.6898 6.7465 6.7465 9.9721 9.9721 10.3431 10.3431 10.9990 10.9990 12.4744 12.4744 16.8818 16.8818 k = 0.3333 0.5774 0.1948 ( 1926 PWs) bands (ev): -1.7594 -1.7594 -1.7513 -1.7513 -1.7033 -1.7033 -1.6609 -1.6609 0.2241 0.2241 0.3738 0.3738 0.4063 0.4063 0.5220 0.5220 0.6208 0.6208 0.6762 0.6762 6.7223 6.7223 6.7771 6.7771 10.0179 10.0179 10.2389 10.2389 10.9095 10.9095 12.3678 12.3678 17.0786 17.0786 k = 0.3333 0.5774 0.2056 ( 1932 PWs) bands (ev): -1.7598 -1.7598 -1.7531 -1.7531 -1.7018 -1.7018 -1.6599 -1.6599 0.2203 0.2203 0.3847 0.3847 0.3999 0.3999 0.5246 0.5246 0.6123 0.6123 0.6788 0.6788 6.7546 6.7546 6.8073 6.8073 10.0600 10.0600 10.1406 10.1406 10.8330 10.8330 12.2618 12.2618 17.2720 17.2720 k = 0.3333 0.5774 0.2164 ( 1926 PWs) bands (ev): -1.7601 -1.7601 -1.7548 -1.7548 -1.7002 -1.7002 -1.6591 -1.6591 0.2170 0.2170 0.3937 0.3937 0.3957 0.3957 0.5270 0.5270 0.6034 0.6034 0.6814 0.6814 6.7863 6.7863 6.8367 6.8367 10.0489 10.0489 10.0952 10.0952 10.7725 10.7725 12.1571 12.1571 17.4604 17.4604 k = 0.3333 0.5774 0.2272 ( 1926 PWs) bands (ev): -1.7605 -1.7605 -1.7564 -1.7564 -1.6987 -1.6987 -1.6584 -1.6584 0.2141 0.2141 0.3877 0.3877 0.4069 0.4069 0.5291 0.5291 0.5943 0.5943 0.6838 0.6838 6.8168 6.8168 6.8648 6.8648 9.9643 9.9643 10.1202 10.1202 10.7316 10.7316 12.0544 12.0544 17.6419 17.6419 k = 0.3333 0.5774 0.2381 ( 1920 PWs) bands (ev): -1.7608 -1.7608 -1.7578 -1.7578 -1.6972 -1.6972 -1.6578 -1.6578 0.2117 0.2117 0.3821 0.3821 0.4181 0.4181 0.5310 0.5310 0.5849 0.5849 0.6860 0.6860 6.8457 6.8457 6.8913 6.8913 9.8876 9.8876 10.1319 10.1319 10.7133 10.7133 11.9543 11.9543 17.8142 17.8142 k = 0.3333 0.5774 0.2489 ( 1920 PWs) bands (ev): -1.7611 -1.7611 -1.7591 -1.7591 -1.6958 -1.6958 -1.6573 -1.6573 0.2097 0.2097 0.3770 0.3770 0.4293 0.4293 0.5326 0.5326 0.5754 0.5754 0.6880 0.6880 6.8724 6.8724 6.9155 6.9155 9.8193 9.8193 10.1304 10.1304 10.7174 10.7174 11.8576 11.8576 17.9747 17.9747 k = 0.3333 0.5774 0.2597 ( 1908 PWs) bands (ev): -1.7614 -1.7614 -1.7602 -1.7602 -1.6945 -1.6945 -1.6569 -1.6569 0.2081 0.2081 0.3725 0.3725 0.4404 0.4404 0.5339 0.5339 0.5658 0.5658 0.6898 0.6898 6.8963 6.8963 6.9370 6.9370 9.7602 9.7602 10.1188 10.1188 10.7401 10.7401 11.7658 11.7658 18.1201 18.1201 k = 0.3333 0.5774 0.2705 ( 1914 PWs) bands (ev): -1.7617 -1.7617 -1.7611 -1.7611 -1.6935 -1.6935 -1.6566 -1.6566 0.2069 0.2069 0.3687 0.3687 0.4511 0.4511 0.5350 0.5350 0.5562 0.5562 0.6912 0.6912 6.9168 6.9168 6.9553 6.9553 9.7107 9.7107 10.1020 10.1020 10.7751 10.7751 11.6805 11.6805 18.2470 18.2470 k = 0.3333 0.5774 0.2813 ( 1914 PWs) bands (ev): -1.7619 -1.7619 -1.7618 -1.7618 -1.6926 -1.6926 -1.6564 -1.6564 0.2060 0.2060 0.3656 0.3656 0.4613 0.4613 0.5358 0.5358 0.5470 0.5470 0.6924 0.6924 6.9334 6.9334 6.9701 6.9701 9.6715 9.6715 10.0846 10.0846 10.8156 10.8156 11.6047 11.6047 18.3514 18.3514 k = 0.3333 0.5774 0.2922 ( 1914 PWs) bands (ev): -1.7623 -1.7623 -1.7621 -1.7621 -1.6920 -1.6920 -1.6562 -1.6562 0.2053 0.2053 0.3633 0.3633 0.4702 0.4702 0.5364 0.5364 0.5387 0.5387 0.6932 0.6932 6.9456 6.9456 6.9809 6.9809 9.6432 9.6432 10.0701 10.0701 10.8541 10.8541 11.5427 11.5427 18.4296 18.4296 k = 0.3333 0.5774 0.3030 ( 1914 PWs) bands (ev): -1.7627 -1.7627 -1.7621 -1.7621 -1.6916 -1.6916 -1.6561 -1.6561 0.2049 0.2049 0.3620 0.3620 0.4769 0.4769 0.5324 0.5324 0.5368 0.5368 0.6937 0.6937 6.9531 6.9531 6.9875 6.9875 9.6260 9.6260 10.0606 10.0606 10.8826 10.8826 11.5008 11.5008 18.4780 18.4780 k = 0.3333 0.5774 0.3138 ( 1920 PWs) bands (ev): -1.7628 -1.7628 -1.7622 -1.7622 -1.6914 -1.6914 -1.6561 -1.6561 0.2048 0.2048 0.3615 0.3615 0.4796 0.4796 0.5299 0.5299 0.5369 0.5369 0.6939 0.6939 6.9556 6.9556 6.9898 6.9898 9.6202 9.6202 10.0573 10.0573 10.8932 10.8932 11.4858 11.4858 18.4944 18.4944 Writing output data file Tl.save init_run : 0.14s CPU 1.93s WALL ( 1 calls) electrons : 56.33s CPU 59.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 1.67s WALL ( 1 calls) potinit : 0.00s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 56.32s CPU 59.50s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 386 calls) cegterg : 51.50s CPU 52.61s WALL ( 429 calls) Called by sum_band: Called by *egterg: h_psi : 26.30s CPU 27.41s WALL ( 7157 calls) s_psi : 1.09s CPU 1.13s WALL ( 7157 calls) g_psi : 0.06s CPU 0.07s WALL ( 6342 calls) cdiaghg : 22.94s CPU 23.23s WALL ( 6728 calls) cegterg:over : 1.75s CPU 1.69s WALL ( 6342 calls) cegterg:upda : 1.11s CPU 1.14s WALL ( 6342 calls) cegterg:last : 0.71s CPU 0.74s WALL ( 1201 calls) cdiaghg:chol : 1.04s CPU 1.16s WALL ( 6728 calls) cdiaghg:inve : 0.53s CPU 0.53s WALL ( 6728 calls) cdiaghg:para : 1.39s CPU 1.42s WALL ( 13456 calls) Called by h_psi: h_psi:vloc : 23.68s CPU 24.64s WALL ( 7157 calls) h_psi:vnl : 2.58s CPU 2.74s WALL ( 7157 calls) add_vuspsi : 1.44s CPU 1.50s WALL ( 7157 calls) General routines calbec : 1.13s CPU 1.22s WALL ( 7157 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.50s CPU 23.39s WALL ( 482736 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.10s WALL ( 772 calls) Parallel routines fft_scatter : 9.75s CPU 10.26s WALL ( 482759 calls) PWSCF : 1m 5.56s CPU 2m 6.05s WALL This run was terminated on: 21:19:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=