Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:32 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: ./Pb.save/ file Pb.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 15 4 569 471 76 Max 18 16 5 574 486 85 Sum 637 559 163 20581 17249 2863 bravais-lattice index = 14 lattice parameter (alat) = 6.5762 a.u. unit-cell volume = 395.6375 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.576246 celldm(2)= 1.000000 celldm(3)= 1.606322 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 1.606322 ) 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 0.622540 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 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 Pb 14.00 207.20000 Pb( 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 ) ( -0.8031609 ) 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 ) ( 0.8031609 ) 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 ) ( -0.8031609 ) 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 ) ( -0.8031609 ) 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 ) ( 0.8031609 ) 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 ) ( 0.8031609 ) 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 ) ( 0.8031609 ) 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 ) ( -0.8031609 ) 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 ) ( 0.8031609 ) 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 ) ( 0.8031609 ) 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 ) ( -0.8031609 ) 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 ) ( -0.8031609 ) 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 0.0107335), wk = 0.0025907 k( 151) = ( 0.0000000 0.0000000 0.0214669), wk = 0.0025907 k( 152) = ( 0.0000000 0.0000000 0.0322004), wk = 0.0025907 k( 153) = ( 0.0000000 0.0000000 0.0429338), wk = 0.0025907 k( 154) = ( 0.0000000 0.0000000 0.0536673), wk = 0.0025907 k( 155) = ( 0.0000000 0.0000000 0.0644007), wk = 0.0025907 k( 156) = ( 0.0000000 0.0000000 0.0751342), wk = 0.0025907 k( 157) = ( 0.0000000 0.0000000 0.0858676), wk = 0.0025907 k( 158) = ( 0.0000000 0.0000000 0.0966011), wk = 0.0025907 k( 159) = ( 0.0000000 0.0000000 0.1073345), wk = 0.0025907 k( 160) = ( 0.0000000 0.0000000 0.1180680), wk = 0.0025907 k( 161) = ( 0.0000000 0.0000000 0.1288014), wk = 0.0025907 k( 162) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0025907 k( 163) = ( 0.0000000 0.0000000 0.1502683), wk = 0.0025907 k( 164) = ( 0.0000000 0.0000000 0.1610018), wk = 0.0025907 k( 165) = ( 0.0000000 0.0000000 0.1717352), wk = 0.0025907 k( 166) = ( 0.0000000 0.0000000 0.1824687), wk = 0.0025907 k( 167) = ( 0.0000000 0.0000000 0.1932021), wk = 0.0025907 k( 168) = ( 0.0000000 0.0000000 0.2039356), wk = 0.0025907 k( 169) = ( 0.0000000 0.0000000 0.2146691), wk = 0.0025907 k( 170) = ( 0.0000000 0.0000000 0.2254025), wk = 0.0025907 k( 171) = ( 0.0000000 0.0000000 0.2361360), wk = 0.0025907 k( 172) = ( 0.0000000 0.0000000 0.2468694), wk = 0.0025907 k( 173) = ( 0.0000000 0.0000000 0.2576029), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.2683363), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0025907 k( 176) = ( 0.0000000 0.0000000 0.2898032), wk = 0.0025907 k( 177) = ( 0.0000000 0.0000000 0.3005367), wk = 0.0025907 k( 178) = ( 0.0000000 0.0000000 0.3112701), wk = 0.0025907 k( 179) = ( 0.0000000 0.0000000 0.3112701), wk = 0.0025907 k( 180) = ( 0.0094340 0.0054467 0.3112701), wk = 0.0025907 k( 181) = ( 0.0188679 0.0108934 0.3112701), wk = 0.0025907 k( 182) = ( 0.0283019 0.0163401 0.3112701), wk = 0.0025907 k( 183) = ( 0.0377359 0.0217868 0.3112701), wk = 0.0025907 k( 184) = ( 0.0471698 0.0272335 0.3112701), wk = 0.0025907 k( 185) = ( 0.0566038 0.0326802 0.3112701), wk = 0.0025907 k( 186) = ( 0.0660377 0.0381269 0.3112701), wk = 0.0025907 k( 187) = ( 0.0754717 0.0435736 0.3112701), wk = 0.0025907 k( 188) = ( 0.0849057 0.0490203 0.3112701), wk = 0.0025907 k( 189) = ( 0.0943396 0.0544670 0.3112701), wk = 0.0025907 k( 190) = ( 0.1037736 0.0599137 0.3112701), wk = 0.0025907 k( 191) = ( 0.1132076 0.0653604 0.3112701), wk = 0.0025907 k( 192) = ( 0.1226415 0.0708071 0.3112701), wk = 0.0025907 k( 193) = ( 0.1320755 0.0762538 0.3112701), wk = 0.0025907 k( 194) = ( 0.1415094 0.0817005 0.3112701), wk = 0.0025907 k( 195) = ( 0.1509434 0.0871472 0.3112701), wk = 0.0025907 k( 196) = ( 0.1603774 0.0925939 0.3112701), wk = 0.0025907 k( 197) = ( 0.1698113 0.0980406 0.3112701), wk = 0.0025907 k( 198) = ( 0.1792453 0.1034873 0.3112701), wk = 0.0025907 k( 199) = ( 0.1886792 0.1089340 0.3112701), wk = 0.0025907 k( 200) = ( 0.1981132 0.1143807 0.3112701), wk = 0.0025907 k( 201) = ( 0.2075472 0.1198274 0.3112701), wk = 0.0025907 k( 202) = ( 0.2169811 0.1252741 0.3112701), wk = 0.0025907 k( 203) = ( 0.2264151 0.1307208 0.3112701), wk = 0.0025907 k( 204) = ( 0.2358491 0.1361675 0.3112701), wk = 0.0025907 k( 205) = ( 0.2452830 0.1416142 0.3112701), wk = 0.0025907 k( 206) = ( 0.2547170 0.1470609 0.3112701), wk = 0.0025907 k( 207) = ( 0.2641509 0.1525076 0.3112701), wk = 0.0025907 k( 208) = ( 0.2735849 0.1579543 0.3112701), wk = 0.0025907 k( 209) = ( 0.2830189 0.1634010 0.3112701), wk = 0.0025907 k( 210) = ( 0.2924528 0.1688477 0.3112701), wk = 0.0025907 k( 211) = ( 0.3018868 0.1742944 0.3112701), wk = 0.0025907 k( 212) = ( 0.3113207 0.1797411 0.3112701), wk = 0.0025907 k( 213) = ( 0.3207547 0.1851878 0.3112701), wk = 0.0025907 k( 214) = ( 0.3301887 0.1906345 0.3112701), wk = 0.0025907 k( 215) = ( 0.3396226 0.1960812 0.3112701), wk = 0.0025907 k( 216) = ( 0.3490566 0.2015279 0.3112701), wk = 0.0025907 k( 217) = ( 0.3584906 0.2069746 0.3112701), wk = 0.0025907 k( 218) = ( 0.3679245 0.2124213 0.3112701), wk = 0.0025907 k( 219) = ( 0.3773585 0.2178680 0.3112701), wk = 0.0025907 k( 220) = ( 0.3867925 0.2233147 0.3112701), wk = 0.0025907 k( 221) = ( 0.3962264 0.2287614 0.3112701), wk = 0.0025907 k( 222) = ( 0.4056604 0.2342081 0.3112701), wk = 0.0025907 k( 223) = ( 0.4150943 0.2396548 0.3112701), wk = 0.0025907 k( 224) = ( 0.4245283 0.2451015 0.3112701), wk = 0.0025907 k( 225) = ( 0.4339623 0.2505482 0.3112701), wk = 0.0025907 k( 226) = ( 0.4433962 0.2559949 0.3112701), wk = 0.0025907 k( 227) = ( 0.4528302 0.2614416 0.3112701), wk = 0.0025907 k( 228) = ( 0.4622641 0.2668883 0.3112701), wk = 0.0025907 k( 229) = ( 0.4716981 0.2723350 0.3112701), wk = 0.0025907 k( 230) = ( 0.4811321 0.2777817 0.3112701), wk = 0.0025907 k( 231) = ( 0.4905660 0.2832284 0.3112701), wk = 0.0025907 k( 232) = ( 0.5000000 0.2886751 0.3112701), wk = 0.0025907 k( 233) = ( 0.5000000 0.2886751 0.3112701), wk = 0.0025907 k( 234) = ( 0.4946237 0.2979872 0.3112701), wk = 0.0025907 k( 235) = ( 0.4892473 0.3072993 0.3112701), wk = 0.0025907 k( 236) = ( 0.4838710 0.3166114 0.3112701), wk = 0.0025907 k( 237) = ( 0.4784946 0.3259235 0.3112701), wk = 0.0025907 k( 238) = ( 0.4731183 0.3352356 0.3112701), wk = 0.0025907 k( 239) = ( 0.4677419 0.3445477 0.3112701), wk = 0.0025907 k( 240) = ( 0.4623656 0.3538598 0.3112701), wk = 0.0025907 k( 241) = ( 0.4569893 0.3631720 0.3112701), wk = 0.0025907 k( 242) = ( 0.4516129 0.3724840 0.3112701), wk = 0.0025907 k( 243) = ( 0.4462366 0.3817961 0.3112701), wk = 0.0025907 k( 244) = ( 0.4408602 0.3911082 0.3112701), wk = 0.0025907 k( 245) = ( 0.4354839 0.4004203 0.3112701), wk = 0.0025907 k( 246) = ( 0.4301075 0.4097325 0.3112701), wk = 0.0025907 k( 247) = ( 0.4247312 0.4190445 0.3112701), wk = 0.0025907 k( 248) = ( 0.4193548 0.4283566 0.3112701), wk = 0.0025907 k( 249) = ( 0.4139785 0.4376687 0.3112701), wk = 0.0025907 k( 250) = ( 0.4086021 0.4469809 0.3112701), wk = 0.0025907 k( 251) = ( 0.4032258 0.4562930 0.3112701), wk = 0.0025907 k( 252) = ( 0.3978495 0.4656051 0.3112701), wk = 0.0025907 k( 253) = ( 0.3924731 0.4749172 0.3112701), wk = 0.0025907 k( 254) = ( 0.3870968 0.4842293 0.3112701), wk = 0.0025907 k( 255) = ( 0.3817204 0.4935414 0.3112701), wk = 0.0025907 k( 256) = ( 0.3763441 0.5028535 0.3112701), wk = 0.0025907 k( 257) = ( 0.3709677 0.5121656 0.3112701), wk = 0.0025907 k( 258) = ( 0.3655914 0.5214777 0.3112701), wk = 0.0025907 k( 259) = ( 0.3602150 0.5307898 0.3112701), wk = 0.0025907 k( 260) = ( 0.3548387 0.5401019 0.3112701), wk = 0.0025907 k( 261) = ( 0.3494624 0.5494140 0.3112701), wk = 0.0025907 k( 262) = ( 0.3440860 0.5587261 0.3112701), wk = 0.0025907 k( 263) = ( 0.3387097 0.5680382 0.3112701), wk = 0.0025907 k( 264) = ( 0.3333333 0.5773503 0.3112701), wk = 0.0025907 k( 265) = ( 0.3333333 0.5773503 0.3112701), wk = 0.0025907 k( 266) = ( 0.3278688 0.5678855 0.3112701), wk = 0.0025907 k( 267) = ( 0.3224044 0.5584207 0.3112701), wk = 0.0025907 k( 268) = ( 0.3169399 0.5489560 0.3112701), wk = 0.0025907 k( 269) = ( 0.3114754 0.5394912 0.3112701), wk = 0.0025907 k( 270) = ( 0.3060109 0.5300265 0.3112701), wk = 0.0025907 k( 271) = ( 0.3005465 0.5205617 0.3112701), wk = 0.0025907 k( 272) = ( 0.2950820 0.5110970 0.3112701), wk = 0.0025907 k( 273) = ( 0.2896175 0.5016322 0.3112701), wk = 0.0025907 k( 274) = ( 0.2841530 0.4921675 0.3112701), wk = 0.0025907 k( 275) = ( 0.2786885 0.4827027 0.3112701), wk = 0.0025907 k( 276) = ( 0.2732240 0.4732379 0.3112701), wk = 0.0025907 k( 277) = ( 0.2677596 0.4637732 0.3112701), wk = 0.0025907 k( 278) = ( 0.2622951 0.4543084 0.3112701), wk = 0.0025907 k( 279) = ( 0.2568306 0.4448436 0.3112701), wk = 0.0025907 k( 280) = ( 0.2513661 0.4353789 0.3112701), wk = 0.0025907 k( 281) = ( 0.2459016 0.4259141 0.3112701), wk = 0.0025907 k( 282) = ( 0.2404372 0.4164494 0.3112701), wk = 0.0025907 k( 283) = ( 0.2349727 0.4069846 0.3112701), wk = 0.0025907 k( 284) = ( 0.2295082 0.3975199 0.3112701), wk = 0.0025907 k( 285) = ( 0.2240437 0.3880551 0.3112701), wk = 0.0025907 k( 286) = ( 0.2185792 0.3785903 0.3112701), wk = 0.0025907 k( 287) = ( 0.2131147 0.3691256 0.3112701), wk = 0.0025907 k( 288) = ( 0.2076503 0.3596608 0.3112701), wk = 0.0025907 k( 289) = ( 0.2021858 0.3501961 0.3112701), wk = 0.0025907 k( 290) = ( 0.1967213 0.3407313 0.3112701), wk = 0.0025907 k( 291) = ( 0.1912568 0.3312665 0.3112701), wk = 0.0025907 k( 292) = ( 0.1857923 0.3218018 0.3112701), wk = 0.0025907 k( 293) = ( 0.1803279 0.3123370 0.3112701), wk = 0.0025907 k( 294) = ( 0.1748634 0.3028723 0.3112701), wk = 0.0025907 k( 295) = ( 0.1693989 0.2934075 0.3112701), wk = 0.0025907 k( 296) = ( 0.1639344 0.2839428 0.3112701), wk = 0.0025907 k( 297) = ( 0.1584699 0.2744780 0.3112701), wk = 0.0025907 k( 298) = ( 0.1530055 0.2650132 0.3112701), wk = 0.0025907 k( 299) = ( 0.1475410 0.2555485 0.3112701), wk = 0.0025907 k( 300) = ( 0.1420765 0.2460837 0.3112701), wk = 0.0025907 k( 301) = ( 0.1366120 0.2366190 0.3112701), wk = 0.0025907 k( 302) = ( 0.1311475 0.2271542 0.3112701), wk = 0.0025907 k( 303) = ( 0.1256831 0.2176894 0.3112701), wk = 0.0025907 k( 304) = ( 0.1202186 0.2082247 0.3112701), wk = 0.0025907 k( 305) = ( 0.1147541 0.1987599 0.3112701), wk = 0.0025907 k( 306) = ( 0.1092896 0.1892952 0.3112701), wk = 0.0025907 k( 307) = ( 0.1038251 0.1798304 0.3112701), wk = 0.0025907 k( 308) = ( 0.0983607 0.1703657 0.3112701), wk = 0.0025907 k( 309) = ( 0.0928962 0.1609009 0.3112701), wk = 0.0025907 k( 310) = ( 0.0874317 0.1514361 0.3112701), wk = 0.0025907 k( 311) = ( 0.0819672 0.1419714 0.3112701), wk = 0.0025907 k( 312) = ( 0.0765027 0.1325066 0.3112701), wk = 0.0025907 k( 313) = ( 0.0710382 0.1230419 0.3112701), wk = 0.0025907 k( 314) = ( 0.0655738 0.1135771 0.3112701), wk = 0.0025907 k( 315) = ( 0.0601093 0.1041123 0.3112701), wk = 0.0025907 k( 316) = ( 0.0546448 0.0946476 0.3112701), wk = 0.0025907 k( 317) = ( 0.0491803 0.0851828 0.3112701), wk = 0.0025907 k( 318) = ( 0.0437159 0.0757181 0.3112701), wk = 0.0025907 k( 319) = ( 0.0382514 0.0662533 0.3112701), wk = 0.0025907 k( 320) = ( 0.0327869 0.0567886 0.3112701), wk = 0.0025907 k( 321) = ( 0.0273224 0.0473238 0.3112701), wk = 0.0025907 k( 322) = ( 0.0218579 0.0378590 0.3112701), wk = 0.0025907 k( 323) = ( 0.0163934 0.0283943 0.3112701), wk = 0.0025907 k( 324) = ( 0.0109290 0.0189295 0.3112701), wk = 0.0025907 k( 325) = ( 0.0054645 0.0094648 0.3112701), wk = 0.0025907 k( 326) = ( 0.0000000 0.0000000 0.3112701), wk = 0.0025907 k( 327) = ( 0.5000000 0.2886751 0.3112701), wk = 0.0025907 k( 328) = ( 0.5000000 0.2886751 0.3005367), wk = 0.0025907 k( 329) = ( 0.5000000 0.2886751 0.2898032), wk = 0.0025907 k( 330) = ( 0.5000000 0.2886751 0.2790698), wk = 0.0025907 k( 331) = ( 0.5000000 0.2886751 0.2683363), wk = 0.0025907 k( 332) = ( 0.5000000 0.2886751 0.2576029), wk = 0.0025907 k( 333) = ( 0.5000000 0.2886751 0.2468694), wk = 0.0025907 k( 334) = ( 0.5000000 0.2886751 0.2361360), wk = 0.0025907 k( 335) = ( 0.5000000 0.2886751 0.2254025), wk = 0.0025907 k( 336) = ( 0.5000000 0.2886751 0.2146691), wk = 0.0025907 k( 337) = ( 0.5000000 0.2886751 0.2039356), wk = 0.0025907 k( 338) = ( 0.5000000 0.2886751 0.1932021), wk = 0.0025907 k( 339) = ( 0.5000000 0.2886751 0.1824687), wk = 0.0025907 k( 340) = ( 0.5000000 0.2886751 0.1717352), wk = 0.0025907 k( 341) = ( 0.5000000 0.2886751 0.1610018), wk = 0.0025907 k( 342) = ( 0.5000000 0.2886751 0.1502683), wk = 0.0025907 k( 343) = ( 0.5000000 0.2886751 0.1395349), wk = 0.0025907 k( 344) = ( 0.5000000 0.2886751 0.1288014), wk = 0.0025907 k( 345) = ( 0.5000000 0.2886751 0.1180680), wk = 0.0025907 k( 346) = ( 0.5000000 0.2886751 0.1073345), wk = 0.0025907 k( 347) = ( 0.5000000 0.2886751 0.0966011), wk = 0.0025907 k( 348) = ( 0.5000000 0.2886751 0.0858676), wk = 0.0025907 k( 349) = ( 0.5000000 0.2886751 0.0751342), wk = 0.0025907 k( 350) = ( 0.5000000 0.2886751 0.0644007), wk = 0.0025907 k( 351) = ( 0.5000000 0.2886751 0.0536673), wk = 0.0025907 k( 352) = ( 0.5000000 0.2886751 0.0429338), wk = 0.0025907 k( 353) = ( 0.5000000 0.2886751 0.0322004), wk = 0.0025907 k( 354) = ( 0.5000000 0.2886751 0.0214669), wk = 0.0025907 k( 355) = ( 0.5000000 0.2886751 0.0107335), 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 0.0107335), wk = 0.0025907 k( 359) = ( 0.3333333 0.5773503 0.0214669), wk = 0.0025907 k( 360) = ( 0.3333333 0.5773503 0.0322004), wk = 0.0025907 k( 361) = ( 0.3333333 0.5773503 0.0429338), wk = 0.0025907 k( 362) = ( 0.3333333 0.5773503 0.0536673), wk = 0.0025907 k( 363) = ( 0.3333333 0.5773503 0.0644007), wk = 0.0025907 k( 364) = ( 0.3333333 0.5773503 0.0751342), wk = 0.0025907 k( 365) = ( 0.3333333 0.5773503 0.0858676), wk = 0.0025907 k( 366) = ( 0.3333333 0.5773503 0.0966011), wk = 0.0025907 k( 367) = ( 0.3333333 0.5773503 0.1073345), wk = 0.0025907 k( 368) = ( 0.3333333 0.5773503 0.1180680), wk = 0.0025907 k( 369) = ( 0.3333333 0.5773503 0.1288014), wk = 0.0025907 k( 370) = ( 0.3333333 0.5773503 0.1395349), wk = 0.0025907 k( 371) = ( 0.3333333 0.5773503 0.1502683), wk = 0.0025907 k( 372) = ( 0.3333333 0.5773503 0.1610018), wk = 0.0025907 k( 373) = ( 0.3333333 0.5773503 0.1717352), wk = 0.0025907 k( 374) = ( 0.3333333 0.5773503 0.1824687), wk = 0.0025907 k( 375) = ( 0.3333333 0.5773503 0.1932021), wk = 0.0025907 k( 376) = ( 0.3333333 0.5773503 0.2039356), wk = 0.0025907 k( 377) = ( 0.3333333 0.5773503 0.2146691), wk = 0.0025907 k( 378) = ( 0.3333333 0.5773503 0.2254025), wk = 0.0025907 k( 379) = ( 0.3333333 0.5773503 0.2361360), wk = 0.0025907 k( 380) = ( 0.3333333 0.5773503 0.2468694), wk = 0.0025907 k( 381) = ( 0.3333333 0.5773503 0.2576029), wk = 0.0025907 k( 382) = ( 0.3333333 0.5773503 0.2683363), wk = 0.0025907 k( 383) = ( 0.3333333 0.5773503 0.2790698), wk = 0.0025907 k( 384) = ( 0.3333333 0.5773503 0.2898032), wk = 0.0025907 k( 385) = ( 0.3333333 0.5773503 0.3005367), wk = 0.0025907 k( 386) = ( 0.3333333 0.5773503 0.3112701), 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 0.2258065 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 0.3278688 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 0.2131148 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 0.2258065 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 0.3278688 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 0.2131148 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 0.2931035), 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: 20581 G-vectors FFT dimensions: ( 32, 32, 50) Smooth grid: 17249 G-vectors FFT dimensions: ( 30, 30, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 138, 36) NL pseudopotentials 0.07 Mb ( 69, 68) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.00 Mb ( 574) G-vector shells 0.00 Mb ( 281) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 138, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 68, 2, 36) The potential is recalculated from file : ./Pb.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 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.7 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.6 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.1 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.3 secs Computing kpt #: 26 total cpu time spent up to now is 6.5 secs Computing kpt #: 27 total cpu time spent up to now is 6.7 secs Computing kpt #: 28 total cpu time spent up to now is 6.9 secs Computing kpt #: 29 total cpu time spent up to now is 7.1 secs Computing kpt #: 30 total cpu time spent up to now is 7.3 secs Computing kpt #: 31 total cpu time spent up to now is 7.5 secs Computing kpt #: 32 total cpu time spent up to now is 7.7 secs Computing kpt #: 33 total cpu time spent up to now is 7.9 secs Computing kpt #: 34 total cpu time spent up to now is 8.1 secs Computing kpt #: 35 total cpu time spent up to now is 8.2 secs Computing kpt #: 36 total cpu time spent up to now is 8.4 secs Computing kpt #: 37 total cpu time spent up to now is 8.6 secs Computing kpt #: 38 total cpu time spent up to now is 8.7 secs Computing kpt #: 39 total cpu time spent up to now is 8.9 secs Computing kpt #: 40 total cpu time spent up to now is 9.1 secs Computing kpt #: 41 total cpu time spent up to now is 9.2 secs Computing kpt #: 42 total cpu time spent up to now is 9.4 secs Computing kpt #: 43 total cpu time spent up to now is 9.6 secs Computing kpt #: 44 total cpu time spent up to now is 9.7 secs Computing kpt #: 45 total cpu time spent up to now is 9.9 secs Computing kpt #: 46 total cpu time spent up to now is 10.1 secs Computing kpt #: 47 total cpu time spent up to now is 10.2 secs Computing kpt #: 48 total cpu time spent up to now is 10.4 secs Computing kpt #: 49 total cpu time spent up to now is 10.6 secs Computing kpt #: 50 total cpu time spent up to now is 10.7 secs Computing kpt #: 51 total cpu time spent up to now is 10.9 secs Computing kpt #: 52 total cpu time spent up to now is 11.0 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 11.7 secs Computing kpt #: 57 total cpu time spent up to now is 11.8 secs Computing kpt #: 58 total cpu time spent up to now is 12.0 secs Computing kpt #: 59 total cpu time spent up to now is 12.1 secs Computing kpt #: 60 total cpu time spent up to now is 12.3 secs Computing kpt #: 61 total cpu time spent up to now is 12.4 secs Computing kpt #: 62 total cpu time spent up to now is 12.6 secs Computing kpt #: 63 total cpu time spent up to now is 12.7 secs Computing kpt #: 64 total cpu time spent up to now is 12.9 secs Computing kpt #: 65 total cpu time spent up to now is 13.0 secs Computing kpt #: 66 total cpu time spent up to now is 13.2 secs Computing kpt #: 67 total cpu time spent up to now is 13.3 secs Computing kpt #: 68 total cpu time spent up to now is 13.5 secs Computing kpt #: 69 total cpu time spent up to now is 13.6 secs Computing kpt #: 70 total cpu time spent up to now is 13.8 secs Computing kpt #: 71 total cpu time spent up to now is 13.9 secs Computing kpt #: 72 total cpu time spent up to now is 14.1 secs Computing kpt #: 73 total cpu time spent up to now is 14.2 secs Computing kpt #: 74 total cpu time spent up to now is 14.4 secs Computing kpt #: 75 total cpu time spent up to now is 14.5 secs Computing kpt #: 76 total cpu time spent up to now is 14.7 secs Computing kpt #: 77 total cpu time spent up to now is 14.8 secs Computing kpt #: 78 total cpu time spent up to now is 15.0 secs Computing kpt #: 79 total cpu time spent up to now is 15.1 secs Computing kpt #: 80 total cpu time spent up to now is 15.2 secs Computing kpt #: 81 total cpu time spent up to now is 15.4 secs Computing kpt #: 82 total cpu time spent up to now is 15.5 secs Computing kpt #: 83 total cpu time spent up to now is 15.7 secs Computing kpt #: 84 total cpu time spent up to now is 15.8 secs Computing kpt #: 85 total cpu time spent up to now is 15.9 secs Computing kpt #: 86 total cpu time spent up to now is 16.1 secs Computing kpt #: 87 total cpu time spent up to now is 16.2 secs Computing kpt #: 88 total cpu time spent up to now is 16.3 secs Computing kpt #: 89 total cpu time spent up to now is 16.4 secs Computing kpt #: 90 total cpu time spent up to now is 16.6 secs Computing kpt #: 91 total cpu time spent up to now is 16.7 secs Computing kpt #: 92 total cpu time spent up to now is 16.9 secs Computing kpt #: 93 total cpu time spent up to now is 17.0 secs Computing kpt #: 94 total cpu time spent up to now is 17.1 secs Computing kpt #: 95 total cpu time spent up to now is 17.3 secs Computing kpt #: 96 total cpu time spent up to now is 17.4 secs Computing kpt #: 97 total cpu time spent up to now is 17.5 secs Computing kpt #: 98 total cpu time spent up to now is 17.7 secs Computing kpt #: 99 total cpu time spent up to now is 17.8 secs Computing kpt #: 100 total cpu time spent up to now is 17.9 secs Computing kpt #: 101 total cpu time spent up to now is 18.1 secs Computing kpt #: 102 total cpu time spent up to now is 18.2 secs Computing kpt #: 103 total cpu time spent up to now is 18.4 secs Computing kpt #: 104 total cpu time spent up to now is 18.5 secs Computing kpt #: 105 total cpu time spent up to now is 18.6 secs Computing kpt #: 106 total cpu time spent up to now is 18.8 secs Computing kpt #: 107 total cpu time spent up to now is 18.9 secs Computing kpt #: 108 total cpu time spent up to now is 19.0 secs Computing kpt #: 109 total cpu time spent up to now is 19.2 secs Computing kpt #: 110 total cpu time spent up to now is 19.3 secs Computing kpt #: 111 total cpu time spent up to now is 19.5 secs Computing kpt #: 112 total cpu time spent up to now is 19.6 secs Computing kpt #: 113 total cpu time spent up to now is 19.7 secs Computing kpt #: 114 total cpu time spent up to now is 19.9 secs Computing kpt #: 115 total cpu time spent up to now is 20.0 secs Computing kpt #: 116 total cpu time spent up to now is 20.2 secs Computing kpt #: 117 total cpu time spent up to now is 20.3 secs Computing kpt #: 118 total cpu time spent up to now is 20.4 secs Computing kpt #: 119 total cpu time spent up to now is 20.6 secs Computing kpt #: 120 total cpu time spent up to now is 20.7 secs Computing kpt #: 121 total cpu time spent up to now is 20.9 secs Computing kpt #: 122 total cpu time spent up to now is 21.0 secs Computing kpt #: 123 total cpu time spent up to now is 21.2 secs Computing kpt #: 124 total cpu time spent up to now is 21.3 secs Computing kpt #: 125 total cpu time spent up to now is 21.5 secs Computing kpt #: 126 total cpu time spent up to now is 21.6 secs Computing kpt #: 127 total cpu time spent up to now is 21.8 secs Computing kpt #: 128 total cpu time spent up to now is 21.9 secs Computing kpt #: 129 total cpu time spent up to now is 22.1 secs Computing kpt #: 130 total cpu time spent up to now is 22.3 secs Computing kpt #: 131 total cpu time spent up to now is 22.4 secs Computing kpt #: 132 total cpu time spent up to now is 22.6 secs Computing kpt #: 133 total cpu time spent up to now is 22.7 secs Computing kpt #: 134 total cpu time spent up to now is 22.9 secs Computing kpt #: 135 total cpu time spent up to now is 23.1 secs Computing kpt #: 136 total cpu time spent up to now is 23.3 secs Computing kpt #: 137 total cpu time spent up to now is 23.4 secs Computing kpt #: 138 total cpu time spent up to now is 23.6 secs Computing kpt #: 139 total cpu time spent up to now is 23.8 secs Computing kpt #: 140 total cpu time spent up to now is 24.0 secs Computing kpt #: 141 total cpu time spent up to now is 24.2 secs Computing kpt #: 142 total cpu time spent up to now is 24.4 secs Computing kpt #: 143 total cpu time spent up to now is 24.5 secs Computing kpt #: 144 total cpu time spent up to now is 24.8 secs Computing kpt #: 145 total cpu time spent up to now is 25.0 secs Computing kpt #: 146 total cpu time spent up to now is 25.2 secs Computing kpt #: 147 total cpu time spent up to now is 25.4 secs Computing kpt #: 148 total cpu time spent up to now is 25.6 secs Computing kpt #: 149 total cpu time spent up to now is 25.7 secs Computing kpt #: 150 total cpu time spent up to now is 25.9 secs Computing kpt #: 151 total cpu time spent up to now is 26.1 secs Computing kpt #: 152 total cpu time spent up to now is 26.3 secs Computing kpt #: 153 total cpu time spent up to now is 26.5 secs Computing kpt #: 154 total cpu time spent up to now is 26.6 secs Computing kpt #: 155 total cpu time spent up to now is 26.8 secs Computing kpt #: 156 total cpu time spent up to now is 27.0 secs Computing kpt #: 157 total cpu time spent up to now is 27.1 secs Computing kpt #: 158 total cpu time spent up to now is 27.3 secs Computing kpt #: 159 total cpu time spent up to now is 27.5 secs Computing kpt #: 160 total cpu time spent up to now is 27.6 secs Computing kpt #: 161 total cpu time spent up to now is 27.8 secs Computing kpt #: 162 total cpu time spent up to now is 27.9 secs Computing kpt #: 163 total cpu time spent up to now is 28.1 secs Computing kpt #: 164 total cpu time spent up to now is 28.3 secs Computing kpt #: 165 total cpu time spent up to now is 28.4 secs Computing kpt #: 166 total cpu time spent up to now is 28.6 secs Computing kpt #: 167 total cpu time spent up to now is 28.7 secs Computing kpt #: 168 total cpu time spent up to now is 28.9 secs Computing kpt #: 169 total cpu time spent up to now is 29.0 secs Computing kpt #: 170 total cpu time spent up to now is 29.2 secs Computing kpt #: 171 total cpu time spent up to now is 29.3 secs Computing kpt #: 172 total cpu time spent up to now is 29.5 secs Computing kpt #: 173 total cpu time spent up to now is 29.6 secs Computing kpt #: 174 total cpu time spent up to now is 29.8 secs Computing kpt #: 175 total cpu time spent up to now is 29.9 secs Computing kpt #: 176 total cpu time spent up to now is 30.1 secs Computing kpt #: 177 total cpu time spent up to now is 30.2 secs Computing kpt #: 178 total cpu time spent up to now is 30.4 secs Computing kpt #: 179 total cpu time spent up to now is 30.5 secs Computing kpt #: 180 total cpu time spent up to now is 30.6 secs Computing kpt #: 181 total cpu time spent up to now is 30.8 secs Computing kpt #: 182 total cpu time spent up to now is 31.0 secs Computing kpt #: 183 total cpu time spent up to now is 31.1 secs Computing kpt #: 184 total cpu time spent up to now is 31.3 secs Computing kpt #: 185 total cpu time spent up to now is 31.4 secs Computing kpt #: 186 total cpu time spent up to now is 31.6 secs Computing kpt #: 187 total cpu time spent up to now is 31.7 secs Computing kpt #: 188 total cpu time spent up to now is 31.9 secs Computing kpt #: 189 total cpu time spent up to now is 32.0 secs Computing kpt #: 190 total cpu time spent up to now is 32.2 secs Computing kpt #: 191 total cpu time spent up to now is 32.3 secs Computing kpt #: 192 total cpu time spent up to now is 32.5 secs Computing kpt #: 193 total cpu time spent up to now is 32.6 secs Computing kpt #: 194 total cpu time spent up to now is 32.8 secs Computing kpt #: 195 total cpu time spent up to now is 33.0 secs Computing kpt #: 196 total cpu time spent up to now is 33.1 secs Computing kpt #: 197 total cpu time spent up to now is 33.3 secs Computing kpt #: 198 total cpu time spent up to now is 33.4 secs Computing kpt #: 199 total cpu time spent up to now is 33.6 secs Computing kpt #: 200 total cpu time spent up to now is 33.7 secs Computing kpt #: 201 total cpu time spent up to now is 33.8 secs Computing kpt #: 202 total cpu time spent up to now is 34.0 secs Computing kpt #: 203 total cpu time spent up to now is 34.1 secs Computing kpt #: 204 total cpu time spent up to now is 34.3 secs Computing kpt #: 205 total cpu time spent up to now is 34.4 secs Computing kpt #: 206 total cpu time spent up to now is 34.6 secs Computing kpt #: 207 total cpu time spent up to now is 34.7 secs Computing kpt #: 208 total cpu time spent up to now is 34.9 secs Computing kpt #: 209 total cpu time spent up to now is 35.0 secs Computing kpt #: 210 total cpu time spent up to now is 35.2 secs Computing kpt #: 211 total cpu time spent up to now is 35.3 secs Computing kpt #: 212 total cpu time spent up to now is 35.5 secs Computing kpt #: 213 total cpu time spent up to now is 35.6 secs Computing kpt #: 214 total cpu time spent up to now is 35.8 secs Computing kpt #: 215 total cpu time spent up to now is 35.9 secs Computing kpt #: 216 total cpu time spent up to now is 36.1 secs Computing kpt #: 217 total cpu time spent up to now is 36.2 secs Computing kpt #: 218 total cpu time spent up to now is 36.3 secs Computing kpt #: 219 total cpu time spent up to now is 36.5 secs Computing kpt #: 220 total cpu time spent up to now is 36.6 secs Computing kpt #: 221 total cpu time spent up to now is 36.7 secs Computing kpt #: 222 total cpu time spent up to now is 36.9 secs Computing kpt #: 223 total cpu time spent up to now is 37.0 secs Computing kpt #: 224 total cpu time spent up to now is 37.2 secs Computing kpt #: 225 total cpu time spent up to now is 37.3 secs Computing kpt #: 226 total cpu time spent up to now is 37.4 secs Computing kpt #: 227 total cpu time spent up to now is 37.6 secs Computing kpt #: 228 total cpu time spent up to now is 37.7 secs Computing kpt #: 229 total cpu time spent up to now is 37.8 secs Computing kpt #: 230 total cpu time spent up to now is 38.0 secs Computing kpt #: 231 total cpu time spent up to now is 38.1 secs Computing kpt #: 232 total cpu time spent up to now is 38.3 secs Computing kpt #: 233 total cpu time spent up to now is 38.4 secs Computing kpt #: 234 total cpu time spent up to now is 38.6 secs Computing kpt #: 235 total cpu time spent up to now is 38.7 secs Computing kpt #: 236 total cpu time spent up to now is 38.8 secs Computing kpt #: 237 total cpu time spent up to now is 39.0 secs Computing kpt #: 238 total cpu time spent up to now is 39.1 secs Computing kpt #: 239 total cpu time spent up to now is 39.3 secs Computing kpt #: 240 total cpu time spent up to now is 39.4 secs Computing kpt #: 241 total cpu time spent up to now is 39.5 secs Computing kpt #: 242 total cpu time spent up to now is 39.7 secs Computing kpt #: 243 total cpu time spent up to now is 39.8 secs Computing kpt #: 244 total cpu time spent up to now is 40.0 secs Computing kpt #: 245 total cpu time spent up to now is 40.1 secs Computing kpt #: 246 total cpu time spent up to now is 40.2 secs Computing kpt #: 247 total cpu time spent up to now is 40.4 secs Computing kpt #: 248 total cpu time spent up to now is 40.5 secs Computing kpt #: 249 total cpu time spent up to now is 40.7 secs Computing kpt #: 250 total cpu time spent up to now is 40.8 secs Computing kpt #: 251 total cpu time spent up to now is 41.0 secs Computing kpt #: 252 total cpu time spent up to now is 41.1 secs Computing kpt #: 253 total cpu time spent up to now is 41.3 secs Computing kpt #: 254 total cpu time spent up to now is 41.4 secs Computing kpt #: 255 total cpu time spent up to now is 41.6 secs Computing kpt #: 256 total cpu time spent up to now is 41.7 secs Computing kpt #: 257 total cpu time spent up to now is 41.9 secs Computing kpt #: 258 total cpu time spent up to now is 42.0 secs Computing kpt #: 259 total cpu time spent up to now is 42.2 secs Computing kpt #: 260 total cpu time spent up to now is 42.3 secs Computing kpt #: 261 total cpu time spent up to now is 42.5 secs Computing kpt #: 262 total cpu time spent up to now is 42.6 secs Computing kpt #: 263 total cpu time spent up to now is 42.7 secs Computing kpt #: 264 total cpu time spent up to now is 42.9 secs Computing kpt #: 265 total cpu time spent up to now is 43.0 secs Computing kpt #: 266 total cpu time spent up to now is 43.2 secs Computing kpt #: 267 total cpu time spent up to now is 43.3 secs Computing kpt #: 268 total cpu time spent up to now is 43.5 secs Computing kpt #: 269 total cpu time spent up to now is 43.6 secs Computing kpt #: 270 total cpu time spent up to now is 43.8 secs Computing kpt #: 271 total cpu time spent up to now is 43.9 secs Computing kpt #: 272 total cpu time spent up to now is 44.1 secs Computing kpt #: 273 total cpu time spent up to now is 44.2 secs Computing kpt #: 274 total cpu time spent up to now is 44.4 secs Computing kpt #: 275 total cpu time spent up to now is 44.5 secs Computing kpt #: 276 total cpu time spent up to now is 44.7 secs Computing kpt #: 277 total cpu time spent up to now is 44.8 secs Computing kpt #: 278 total cpu time spent up to now is 45.0 secs Computing kpt #: 279 total cpu time spent up to now is 45.1 secs Computing kpt #: 280 total cpu time spent up to now is 45.3 secs Computing kpt #: 281 total cpu time spent up to now is 45.4 secs Computing kpt #: 282 total cpu time spent up to now is 45.6 secs Computing kpt #: 283 total cpu time spent up to now is 45.7 secs Computing kpt #: 284 total cpu time spent up to now is 45.8 secs Computing kpt #: 285 total cpu time spent up to now is 46.0 secs Computing kpt #: 286 total cpu time spent up to now is 46.1 secs Computing kpt #: 287 total cpu time spent up to now is 46.3 secs Computing kpt #: 288 total cpu time spent up to now is 46.4 secs Computing kpt #: 289 total cpu time spent up to now is 46.6 secs Computing kpt #: 290 total cpu time spent up to now is 46.7 secs Computing kpt #: 291 total cpu time spent up to now is 46.8 secs Computing kpt #: 292 total cpu time spent up to now is 47.0 secs Computing kpt #: 293 total cpu time spent up to now is 47.1 secs Computing kpt #: 294 total cpu time spent up to now is 47.3 secs Computing kpt #: 295 total cpu time spent up to now is 47.4 secs Computing kpt #: 296 total cpu time spent up to now is 47.5 secs Computing kpt #: 297 total cpu time spent up to now is 47.7 secs Computing kpt #: 298 total cpu time spent up to now is 47.8 secs Computing kpt #: 299 total cpu time spent up to now is 47.9 secs Computing kpt #: 300 total cpu time spent up to now is 48.1 secs Computing kpt #: 301 total cpu time spent up to now is 48.2 secs Computing kpt #: 302 total cpu time spent up to now is 48.4 secs Computing kpt #: 303 total cpu time spent up to now is 48.5 secs Computing kpt #: 304 total cpu time spent up to now is 48.6 secs Computing kpt #: 305 total cpu time spent up to now is 48.8 secs Computing kpt #: 306 total cpu time spent up to now is 48.9 secs Computing kpt #: 307 total cpu time spent up to now is 49.1 secs Computing kpt #: 308 total cpu time spent up to now is 49.2 secs Computing kpt #: 309 total cpu time spent up to now is 49.4 secs Computing kpt #: 310 total cpu time spent up to now is 49.5 secs Computing kpt #: 311 total cpu time spent up to now is 49.7 secs Computing kpt #: 312 total cpu time spent up to now is 49.8 secs Computing kpt #: 313 total cpu time spent up to now is 50.0 secs Computing kpt #: 314 total cpu time spent up to now is 50.1 secs Computing kpt #: 315 total cpu time spent up to now is 50.3 secs Computing kpt #: 316 total cpu time spent up to now is 50.4 secs Computing kpt #: 317 total cpu time spent up to now is 50.6 secs Computing kpt #: 318 total cpu time spent up to now is 50.7 secs Computing kpt #: 319 total cpu time spent up to now is 50.9 secs Computing kpt #: 320 total cpu time spent up to now is 51.1 secs Computing kpt #: 321 total cpu time spent up to now is 51.2 secs Computing kpt #: 322 total cpu time spent up to now is 51.4 secs Computing kpt #: 323 total cpu time spent up to now is 51.5 secs Computing kpt #: 324 total cpu time spent up to now is 51.7 secs Computing kpt #: 325 total cpu time spent up to now is 51.8 secs Computing kpt #: 326 total cpu time spent up to now is 51.9 secs Computing kpt #: 327 total cpu time spent up to now is 52.1 secs Computing kpt #: 328 total cpu time spent up to now is 52.2 secs Computing kpt #: 329 total cpu time spent up to now is 52.4 secs Computing kpt #: 330 total cpu time spent up to now is 52.5 secs Computing kpt #: 331 total cpu time spent up to now is 52.7 secs Computing kpt #: 332 total cpu time spent up to now is 52.8 secs Computing kpt #: 333 total cpu time spent up to now is 52.9 secs Computing kpt #: 334 total cpu time spent up to now is 53.1 secs Computing kpt #: 335 total cpu time spent up to now is 53.2 secs Computing kpt #: 336 total cpu time spent up to now is 53.4 secs Computing kpt #: 337 total cpu time spent up to now is 53.5 secs Computing kpt #: 338 total cpu time spent up to now is 53.7 secs Computing kpt #: 339 total cpu time spent up to now is 53.8 secs Computing kpt #: 340 total cpu time spent up to now is 54.0 secs Computing kpt #: 341 total cpu time spent up to now is 54.1 secs Computing kpt #: 342 total cpu time spent up to now is 54.3 secs Computing kpt #: 343 total cpu time spent up to now is 54.4 secs Computing kpt #: 344 total cpu time spent up to now is 54.6 secs Computing kpt #: 345 total cpu time spent up to now is 54.7 secs Computing kpt #: 346 total cpu time spent up to now is 54.9 secs Computing kpt #: 347 total cpu time spent up to now is 55.1 secs Computing kpt #: 348 total cpu time spent up to now is 55.2 secs Computing kpt #: 349 total cpu time spent up to now is 55.4 secs Computing kpt #: 350 total cpu time spent up to now is 55.5 secs Computing kpt #: 351 total cpu time spent up to now is 55.7 secs Computing kpt #: 352 total cpu time spent up to now is 55.8 secs Computing kpt #: 353 total cpu time spent up to now is 56.0 secs Computing kpt #: 354 total cpu time spent up to now is 56.2 secs Computing kpt #: 355 total cpu time spent up to now is 56.3 secs Computing kpt #: 356 total cpu time spent up to now is 56.5 secs Computing kpt #: 357 total cpu time spent up to now is 56.6 secs Computing kpt #: 358 total cpu time spent up to now is 56.7 secs Computing kpt #: 359 total cpu time spent up to now is 56.9 secs Computing kpt #: 360 total cpu time spent up to now is 57.0 secs Computing kpt #: 361 total cpu time spent up to now is 57.1 secs Computing kpt #: 362 total cpu time spent up to now is 57.3 secs Computing kpt #: 363 total cpu time spent up to now is 57.4 secs Computing kpt #: 364 total cpu time spent up to now is 57.6 secs Computing kpt #: 365 total cpu time spent up to now is 57.7 secs Computing kpt #: 366 total cpu time spent up to now is 57.8 secs Computing kpt #: 367 total cpu time spent up to now is 58.0 secs Computing kpt #: 368 total cpu time spent up to now is 58.1 secs Computing kpt #: 369 total cpu time spent up to now is 58.3 secs Computing kpt #: 370 total cpu time spent up to now is 58.4 secs Computing kpt #: 371 total cpu time spent up to now is 58.5 secs Computing kpt #: 372 total cpu time spent up to now is 58.7 secs Computing kpt #: 373 total cpu time spent up to now is 58.8 secs Computing kpt #: 374 total cpu time spent up to now is 59.0 secs Computing kpt #: 375 total cpu time spent up to now is 59.1 secs Computing kpt #: 376 total cpu time spent up to now is 59.3 secs Computing kpt #: 377 total cpu time spent up to now is 59.4 secs Computing kpt #: 378 total cpu time spent up to now is 59.6 secs Computing kpt #: 379 total cpu time spent up to now is 59.7 secs Computing kpt #: 380 total cpu time spent up to now is 59.9 secs Computing kpt #: 381 total cpu time spent up to now is 60.0 secs Computing kpt #: 382 total cpu time spent up to now is 60.2 secs Computing kpt #: 383 total cpu time spent up to now is 60.3 secs Computing kpt #: 384 total cpu time spent up to now is 60.5 secs Computing kpt #: 385 total cpu time spent up to now is 60.6 secs Computing kpt #: 386 total cpu time spent up to now is 60.7 secs ethr = 3.57E-08, avg # of iterations = 13.5 total cpu time spent up to now is 60.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2165 PWs) bands (ev): -6.6737 -6.6737 -6.6665 -6.6665 -6.6522 -6.6522 -6.5909 -6.5909 -4.1589 -4.1589 -4.1473 -4.1473 -4.1293 -4.1293 -4.0986 -4.0986 -4.0932 -4.0932 -3.9215 -3.9215 -0.1883 -0.1883 3.8173 3.8173 7.2869 7.2869 16.2421 16.2421 17.0086 17.0086 18.1361 18.1361 20.0224 20.0224 20.6251 20.6251 k = 0.0094 0.0054-0.0000 ( 2171 PWs) bands (ev): -6.6737 -6.6737 -6.6665 -6.6665 -6.6521 -6.6521 -6.5909 -6.5909 -4.1591 -4.1591 -4.1470 -4.1470 -4.1292 -4.1292 -4.0991 -4.0991 -4.0925 -4.0925 -3.9216 -3.9216 -0.1867 -0.1867 3.8185 3.8185 7.2888 7.2888 16.2315 16.2315 16.9981 16.9981 18.1263 18.1263 20.0048 20.0048 20.6131 20.6131 k = 0.0189 0.0109-0.0000 ( 2163 PWs) bands (ev): -6.6736 -6.6736 -6.6663 -6.6663 -6.6520 -6.6520 -6.5909 -6.5909 -4.1594 -4.1594 -4.1462 -4.1462 -4.1291 -4.1291 -4.1004 -4.1004 -4.0909 -4.0909 -3.9218 -3.9218 -0.1821 -0.1821 3.8219 3.8219 7.2942 7.2942 16.1998 16.1998 16.9663 16.9663 18.0984 18.0984 19.9543 19.9543 20.5880 20.5880 k = 0.0283 0.0163-0.0000 ( 2163 PWs) bands (ev): -6.6735 -6.6735 -6.6660 -6.6660 -6.6517 -6.6517 -6.5909 -6.5909 -4.1598 -4.1598 -4.1450 -4.1450 -4.1289 -4.1289 -4.1018 -4.1018 -4.0890 -4.0890 -3.9223 -3.9223 -0.1743 -0.1743 3.8276 3.8276 7.3033 7.3033 16.1471 16.1471 16.9137 16.9137 18.0562 18.0562 19.8775 19.8775 20.5647 20.5647 k = 0.0377 0.0218-0.0000 ( 2161 PWs) bands (ev): -6.6733 -6.6733 -6.6656 -6.6656 -6.6514 -6.6514 -6.5909 -6.5909 -4.1603 -4.1603 -4.1435 -4.1435 -4.1287 -4.1287 -4.1033 -4.1033 -4.0867 -4.0867 -3.9230 -3.9230 -0.1634 -0.1634 3.8355 3.8355 7.3161 7.3161 16.0735 16.0735 16.8413 16.8413 18.0044 18.0044 19.7827 19.7827 20.5476 20.5476 k = 0.0472 0.0272-0.0000 ( 2155 PWs) bands (ev): -6.6731 -6.6731 -6.6651 -6.6651 -6.6510 -6.6510 -6.5908 -6.5908 -4.1607 -4.1607 -4.1417 -4.1417 -4.1284 -4.1284 -4.1048 -4.1048 -4.0843 -4.0843 -3.9238 -3.9238 -0.1494 -0.1494 3.8457 3.8457 7.3324 7.3324 15.9791 15.9791 16.7514 16.7514 17.9463 17.9463 19.6774 19.6774 20.5352 20.5352 k = 0.0566 0.0327-0.0000 ( 2155 PWs) bands (ev): -6.6729 -6.6729 -6.6645 -6.6645 -6.6505 -6.6505 -6.5908 -6.5908 -4.1611 -4.1611 -4.1397 -4.1397 -4.1279 -4.1279 -4.1062 -4.1062 -4.0817 -4.0817 -3.9248 -3.9248 -0.1323 -0.1323 3.8582 3.8582 7.3524 7.3524 15.8639 15.8639 16.6475 16.6475 17.8837 17.8837 19.5669 19.5669 20.5249 20.5249 k = 0.0660 0.0381-0.0000 ( 2157 PWs) bands (ev): -6.6726 -6.6726 -6.6638 -6.6638 -6.6499 -6.6499 -6.5907 -6.5907 -4.1615 -4.1615 -4.1376 -4.1376 -4.1274 -4.1274 -4.1076 -4.1076 -4.0789 -4.0789 -3.9260 -3.9260 -0.1121 -0.1121 3.8729 3.8729 7.3759 7.3759 15.7283 15.7283 16.5336 16.5336 17.8168 17.8168 19.4548 19.4548 20.5138 20.5138 k = 0.0755 0.0436-0.0000 ( 2153 PWs) bands (ev): -6.6723 -6.6723 -6.6629 -6.6629 -6.6492 -6.6492 -6.5907 -6.5907 -4.1617 -4.1617 -4.1354 -4.1354 -4.1268 -4.1268 -4.1089 -4.1089 -4.0760 -4.0760 -3.9272 -3.9272 -0.0888 -0.0888 3.8899 3.8899 7.4030 7.4030 15.5734 15.5734 16.4137 16.4137 17.7446 17.7446 19.3434 19.3434 20.4995 20.4995 k = 0.0849 0.0490-0.0000 ( 2157 PWs) bands (ev): -6.6720 -6.6720 -6.6619 -6.6619 -6.6485 -6.6485 -6.5906 -6.5906 -4.1619 -4.1619 -4.1331 -4.1331 -4.1260 -4.1260 -4.1101 -4.1101 -4.0729 -4.0729 -3.9287 -3.9287 -0.0624 -0.0624 3.9091 3.9091 7.4336 7.4336 15.4005 15.4005 16.2905 16.2905 17.6658 17.6658 19.2340 19.2340 20.4797 20.4797 k = 0.0943 0.0545-0.0000 ( 2155 PWs) bands (ev): -6.6717 -6.6717 -6.6608 -6.6608 -6.6477 -6.6477 -6.5906 -6.5906 -4.1620 -4.1620 -4.1309 -4.1309 -4.1251 -4.1251 -4.1112 -4.1112 -4.0696 -4.0696 -3.9302 -3.9302 -0.0328 -0.0328 3.9305 3.9305 7.4677 7.4677 15.2119 15.2119 16.1658 16.1658 17.5791 17.5791 19.1273 19.1273 20.4523 20.4523 k = 0.1038 0.0599-0.0000 ( 2159 PWs) bands (ev): -6.6713 -6.6713 -6.6596 -6.6596 -6.6469 -6.6469 -6.5905 -6.5905 -4.1620 -4.1620 -4.1287 -4.1287 -4.1242 -4.1242 -4.1121 -4.1121 -4.0661 -4.0661 -3.9318 -3.9318 -0.0001 -0.0001 3.9541 3.9541 7.5053 7.5053 15.0100 15.0100 16.0406 16.0406 17.4837 17.4837 19.0233 19.0233 20.4157 20.4157 k = 0.1132 0.0654-0.0000 ( 2163 PWs) bands (ev): -6.6710 -6.6710 -6.6583 -6.6583 -6.6460 -6.6460 -6.5904 -6.5904 -4.1620 -4.1620 -4.1268 -4.1268 -4.1231 -4.1231 -4.1127 -4.1127 -4.0625 -4.0625 -3.9335 -3.9335 0.0357 0.0357 3.9799 3.9799 7.5463 7.5463 14.7975 14.7975 15.9150 15.9150 17.3791 17.3791 18.9217 18.9217 20.3682 20.3682 k = 0.1226 0.0708-0.0000 ( 2159 PWs) bands (ev): -6.6706 -6.6706 -6.6569 -6.6569 -6.6450 -6.6450 -6.5904 -6.5904 -4.1619 -4.1619 -4.1253 -4.1253 -4.1219 -4.1219 -4.1128 -4.1128 -4.0587 -4.0587 -3.9352 -3.9352 0.0746 0.0746 4.0079 4.0079 7.5907 7.5907 14.5766 14.5766 15.7889 15.7889 17.2654 17.2654 18.8219 18.8219 20.3091 20.3091 k = 0.1321 0.0763-0.0000 ( 2155 PWs) bands (ev): -6.6702 -6.6702 -6.6554 -6.6554 -6.6440 -6.6440 -6.5903 -6.5903 -4.1618 -4.1618 -4.1245 -4.1245 -4.1205 -4.1205 -4.1123 -4.1123 -4.0547 -4.0547 -3.9369 -3.9369 0.1167 0.1167 4.0380 4.0380 7.6384 7.6384 14.3493 14.3493 15.6623 15.6623 17.1431 17.1431 18.7230 18.7230 20.2380 20.2380 k = 0.1415 0.0817-0.0000 ( 2153 PWs) bands (ev): -6.6698 -6.6698 -6.6539 -6.6539 -6.6430 -6.6430 -6.5902 -6.5902 -4.1616 -4.1616 -4.1246 -4.1246 -4.1188 -4.1188 -4.1111 -4.1111 -4.0507 -4.0507 -3.9386 -3.9386 0.1619 0.1619 4.0702 4.0702 7.6894 7.6894 14.1173 14.1173 15.5347 15.5347 17.0130 17.0130 18.6240 18.6240 20.1550 20.1550 k = 0.1509 0.0871-0.0000 ( 2149 PWs) bands (ev): -6.6694 -6.6694 -6.6522 -6.6522 -6.6420 -6.6420 -6.5902 -6.5902 -4.1613 -4.1613 -4.1251 -4.1251 -4.1169 -4.1169 -4.1094 -4.1094 -4.0466 -4.0466 -3.9401 -3.9401 0.2102 0.2102 4.1044 4.1044 7.7436 7.7436 13.8822 13.8822 15.4058 15.4058 16.8761 16.8761 18.5238 18.5238 20.0607 20.0607 k = 0.1604 0.0926-0.0000 ( 2147 PWs) bands (ev): -6.6690 -6.6690 -6.6505 -6.6505 -6.6409 -6.6409 -6.5901 -6.5901 -4.1611 -4.1611 -4.1261 -4.1261 -4.1150 -4.1150 -4.1074 -4.1074 -4.0424 -4.0424 -3.9416 -3.9416 0.2616 0.2616 4.1407 4.1407 7.8009 7.8009 13.6451 13.6451 15.2755 15.2755 16.7336 16.7336 18.4214 18.4214 19.9559 19.9559 k = 0.1698 0.0980-0.0000 ( 2151 PWs) bands (ev): -6.6685 -6.6685 -6.6488 -6.6488 -6.6399 -6.6399 -6.5901 -6.5901 -4.1608 -4.1608 -4.1272 -4.1272 -4.1130 -4.1130 -4.1052 -4.1052 -4.0383 -4.0383 -3.9428 -3.9428 0.3161 0.3161 4.1788 4.1788 7.8613 7.8613 13.4070 13.4070 15.1433 15.1433 16.5867 16.5867 18.3157 18.3157 19.8412 19.8412 k = 0.1792 0.1035-0.0000 ( 2153 PWs) bands (ev): -6.6681 -6.6681 -6.6469 -6.6469 -6.6388 -6.6388 -6.5900 -6.5900 -4.1605 -4.1605 -4.1285 -4.1285 -4.1109 -4.1109 -4.1029 -4.1029 -4.0342 -4.0342 -3.9438 -3.9438 0.3738 0.3738 4.2189 4.2189 7.9247 7.9247 13.1689 13.1689 15.0088 15.0088 16.4367 16.4367 18.2059 18.2059 19.7181 19.7181 k = 0.1887 0.1089-0.0000 ( 2153 PWs) bands (ev): -6.6676 -6.6676 -6.6451 -6.6451 -6.6378 -6.6378 -6.5900 -6.5900 -4.1601 -4.1601 -4.1298 -4.1298 -4.1087 -4.1087 -4.1006 -4.1006 -4.0302 -4.0302 -3.9445 -3.9445 0.4345 0.4345 4.2607 4.2607 7.9910 7.9910 12.9314 12.9314 14.8719 14.8719 16.2851 16.2851 18.0912 18.0912 19.5894 19.5894 k = 0.1981 0.1144-0.0000 ( 2151 PWs) bands (ev): -6.6671 -6.6671 -6.6432 -6.6432 -6.6367 -6.6367 -6.5899 -6.5899 -4.1597 -4.1597 -4.1312 -4.1312 -4.1065 -4.1065 -4.0982 -4.0982 -4.0264 -4.0264 -3.9447 -3.9447 0.4983 0.4983 4.3042 4.3042 8.0601 8.0601 12.6952 12.6952 14.7320 14.7320 16.1329 16.1329 17.9710 17.9710 19.4585 19.4585 k = 0.2075 0.1198-0.0000 ( 2151 PWs) bands (ev): -6.6667 -6.6667 -6.6413 -6.6413 -6.6357 -6.6357 -6.5899 -6.5899 -4.1593 -4.1593 -4.1327 -4.1327 -4.1043 -4.1043 -4.0959 -4.0959 -4.0229 -4.0229 -3.9445 -3.9445 0.5652 0.5652 4.3493 4.3493 8.1317 8.1317 12.4610 12.4610 14.5889 14.5889 15.9817 15.9817 17.8448 17.8448 19.3284 19.3284 k = 0.2170 0.1253-0.0000 ( 2150 PWs) bands (ev): -6.6662 -6.6662 -6.6394 -6.6394 -6.6347 -6.6347 -6.5899 -6.5899 -4.1588 -4.1588 -4.1342 -4.1342 -4.1022 -4.1022 -4.0935 -4.0935 -4.0196 -4.0196 -3.9438 -3.9438 0.6351 0.6351 4.3958 4.3958 8.2059 8.2059 12.2294 12.2294 14.4423 14.4423 15.8324 15.8324 17.7126 17.7126 19.2008 19.2008 k = 0.2264 0.1307-0.0000 ( 2150 PWs) bands (ev): -6.6657 -6.6657 -6.6375 -6.6375 -6.6338 -6.6338 -6.5898 -6.5898 -4.1583 -4.1583 -4.1357 -4.1357 -4.1001 -4.1001 -4.0913 -4.0913 -4.0168 -4.0168 -3.9424 -3.9424 0.7081 0.7081 4.4436 4.4436 8.2824 8.2824 12.0009 12.0009 14.2919 14.2919 15.6862 15.6862 17.5742 17.5742 19.0770 19.0770 k = 0.2358 0.1362-0.0000 ( 2146 PWs) bands (ev): -6.6651 -6.6651 -6.6356 -6.6356 -6.6328 -6.6328 -6.5898 -6.5898 -4.1578 -4.1578 -4.1371 -4.1371 -4.0981 -4.0981 -4.0890 -4.0890 -4.0142 -4.0142 -3.9405 -3.9405 0.7840 0.7840 4.4925 4.4925 8.3610 8.3610 11.7761 11.7761 14.1376 14.1376 15.5440 15.5440 17.4299 17.4299 18.9576 18.9576 k = 0.2453 0.1416-0.0000 ( 2146 PWs) bands (ev): -6.6646 -6.6646 -6.6340 -6.6340 -6.6317 -6.6317 -6.5898 -6.5898 -4.1573 -4.1573 -4.1386 -4.1386 -4.0962 -4.0962 -4.0868 -4.0868 -4.0120 -4.0120 -3.9379 -3.9379 0.8629 0.8629 4.5422 4.5422 8.4413 8.4413 11.5558 11.5558 13.9794 13.9794 15.4066 15.4066 17.2800 17.2800 18.8429 18.8429 k = 0.2547 0.1471-0.0000 ( 2154 PWs) bands (ev): -6.6641 -6.6641 -6.6327 -6.6327 -6.6303 -6.6303 -6.5897 -6.5897 -4.1567 -4.1567 -4.1401 -4.1401 -4.0945 -4.0945 -4.0847 -4.0847 -4.0100 -4.0100 -3.9348 -3.9348 0.9447 0.9447 4.5925 4.5925 8.5231 8.5231 11.3406 11.3406 13.8174 13.8174 15.2744 15.2744 17.1251 17.1251 18.7331 18.7331 k = 0.2642 0.1525-0.0000 ( 2154 PWs) bands (ev): -6.6636 -6.6636 -6.6317 -6.6317 -6.6287 -6.6287 -6.5897 -6.5897 -4.1562 -4.1562 -4.1415 -4.1415 -4.0930 -4.0930 -4.0827 -4.0827 -4.0083 -4.0083 -3.9312 -3.9312 1.0295 1.0295 4.6432 4.6432 8.6059 8.6059 11.1314 11.1314 13.6519 13.6519 15.1480 15.1480 16.9657 16.9657 18.6281 18.6281 k = 0.2736 0.1580-0.0000 ( 2158 PWs) bands (ev): -6.6630 -6.6630 -6.6309 -6.6309 -6.6269 -6.6269 -6.5897 -6.5897 -4.1557 -4.1557 -4.1429 -4.1429 -4.0916 -4.0916 -4.0807 -4.0807 -4.0067 -4.0067 -3.9272 -3.9272 1.1170 1.1170 4.6938 4.6938 8.6889 8.6889 10.9292 10.9292 13.4834 13.4834 15.0276 15.0276 16.8027 16.8027 18.5278 18.5278 k = 0.2830 0.1634-0.0000 ( 2158 PWs) bands (ev): -6.6625 -6.6625 -6.6304 -6.6304 -6.6251 -6.6251 -6.5897 -6.5897 -4.1552 -4.1552 -4.1442 -4.1442 -4.0906 -4.0906 -4.0788 -4.0788 -4.0052 -4.0052 -3.9228 -3.9228 1.2073 1.2073 4.7440 4.7440 8.7712 8.7712 10.7354 10.7354 13.3123 13.3123 14.9131 14.9131 16.6365 16.6365 18.4322 18.4322 k = 0.2925 0.1688-0.0000 ( 2158 PWs) bands (ev): -6.6619 -6.6619 -6.6299 -6.6299 -6.6232 -6.6232 -6.5897 -6.5897 -4.1547 -4.1547 -4.1454 -4.1454 -4.0897 -4.0897 -4.0769 -4.0769 -4.0037 -4.0037 -3.9182 -3.9182 1.3003 1.3003 4.7932 4.7932 8.8514 8.8514 10.5518 10.5518 13.1393 13.1393 14.8045 14.8045 16.4680 16.4680 18.3412 18.3412 k = 0.3019 0.1743-0.0000 ( 2158 PWs) bands (ev): -6.6614 -6.6614 -6.6295 -6.6295 -6.6214 -6.6214 -6.5897 -6.5897 -4.1544 -4.1544 -4.1465 -4.1465 -4.0892 -4.0892 -4.0751 -4.0751 -4.0022 -4.0022 -3.9134 -3.9134 1.3960 1.3960 4.8409 4.8409 8.9274 8.9274 10.3811 10.3811 12.9651 12.9651 14.7018 14.7018 16.2979 16.2979 18.2545 18.2545 k = 0.3113 0.1797-0.0000 ( 2160 PWs) bands (ev): -6.6608 -6.6608 -6.6292 -6.6292 -6.6196 -6.6196 -6.5897 -6.5897 -4.1544 -4.1544 -4.1473 -4.1473 -4.0889 -4.0889 -4.0734 -4.0734 -4.0005 -4.0005 -3.9085 -3.9085 1.4942 1.4942 4.8866 4.8866 8.9957 8.9957 10.2271 10.2271 12.7904 12.7904 14.6048 14.6048 16.1267 16.1267 18.1720 18.1720 k = 0.3208 0.1852-0.0000 ( 2164 PWs) bands (ev): -6.6603 -6.6603 -6.6290 -6.6290 -6.6179 -6.6179 -6.5897 -6.5897 -4.1546 -4.1546 -4.1477 -4.1477 -4.0888 -4.0888 -4.0717 -4.0717 -3.9988 -3.9988 -3.9036 -3.9036 1.5948 1.5948 4.9294 4.9294 9.0509 9.0509 10.0956 10.0956 12.6161 12.6161 14.5132 14.5132 15.9551 15.9551 18.0937 18.0937 k = 0.3302 0.1906-0.0000 ( 2160 PWs) bands (ev): -6.6597 -6.6597 -6.6289 -6.6289 -6.6162 -6.6162 -6.5897 -6.5897 -4.1551 -4.1551 -4.1479 -4.1479 -4.0889 -4.0889 -4.0701 -4.0701 -3.9970 -3.9970 -3.8986 -3.8986 1.6977 1.6977 4.9686 4.9686 9.0854 9.0854 9.9949 9.9949 12.4431 12.4431 14.4269 14.4269 15.7837 15.7837 18.0195 18.0195 k = 0.3396 0.1961-0.0000 ( 2160 PWs) bands (ev): -6.6591 -6.6591 -6.6288 -6.6288 -6.6145 -6.6145 -6.5897 -6.5897 -4.1558 -4.1558 -4.1477 -4.1477 -4.0893 -4.0893 -4.0685 -4.0685 -3.9950 -3.9950 -3.8937 -3.8937 1.8028 1.8028 5.0033 5.0033 9.0910 9.0910 9.9335 9.9335 12.2722 12.2722 14.3457 14.3457 15.6131 15.6131 17.9493 17.9493 k = 0.3491 0.2015-0.0000 ( 2166 PWs) bands (ev): -6.6586 -6.6586 -6.6288 -6.6288 -6.6129 -6.6129 -6.5897 -6.5897 -4.1567 -4.1567 -4.1474 -4.1474 -4.0897 -4.0897 -4.0670 -4.0670 -3.9931 -3.9931 -3.8889 -3.8889 1.9099 1.9099 5.0326 5.0326 9.0647 9.0647 9.9147 9.9147 12.1045 12.1045 14.2692 14.2692 15.4438 15.4438 17.8830 17.8830 k = 0.3585 0.2070-0.0000 ( 2166 PWs) bands (ev): -6.6580 -6.6580 -6.6288 -6.6288 -6.6113 -6.6113 -6.5898 -6.5898 -4.1576 -4.1576 -4.1470 -4.1470 -4.0903 -4.0903 -4.0656 -4.0656 -3.9910 -3.9910 -3.8843 -3.8843 2.0187 2.0187 5.0554 5.0554 9.0126 9.0126 9.9324 9.9324 11.9414 11.9414 14.1974 14.1974 15.2766 15.2766 17.8207 17.8207 k = 0.3679 0.2124-0.0000 ( 2162 PWs) bands (ev): -6.6575 -6.6575 -6.6289 -6.6289 -6.6099 -6.6099 -6.5898 -6.5898 -4.1586 -4.1586 -4.1466 -4.1466 -4.0910 -4.0910 -4.0643 -4.0643 -3.9890 -3.9890 -3.8798 -3.8798 2.1292 2.1292 5.0708 5.0708 8.9464 8.9464 9.9748 9.9748 11.7845 11.7845 14.1299 14.1299 15.1119 15.1119 17.7624 17.7624 k = 0.3774 0.2179-0.0000 ( 2174 PWs) bands (ev): -6.6569 -6.6569 -6.6291 -6.6291 -6.6084 -6.6084 -6.5899 -6.5899 -4.1596 -4.1596 -4.1462 -4.1462 -4.0917 -4.0917 -4.0630 -4.0630 -3.9870 -3.9870 -3.8754 -3.8754 2.2408 2.2408 5.0779 5.0779 8.8766 8.8766 10.0303 10.0303 11.6358 11.6358 14.0664 14.0664 14.9506 14.9506 17.7080 17.7080 k = 0.3868 0.2233-0.0000 ( 2170 PWs) bands (ev): -6.6564 -6.6564 -6.6293 -6.6293 -6.6071 -6.6071 -6.5900 -6.5900 -4.1605 -4.1605 -4.1458 -4.1458 -4.0924 -4.0924 -4.0618 -4.0618 -3.9850 -3.9850 -3.8714 -3.8714 2.3535 2.3535 5.0758 5.0758 8.8107 8.8107 10.0894 10.0894 11.4984 11.4984 14.0066 14.0066 14.7936 14.7936 17.6575 17.6575 k = 0.3962 0.2288-0.0000 ( 2170 PWs) bands (ev): -6.6559 -6.6559 -6.6295 -6.6295 -6.6058 -6.6058 -6.5902 -6.5902 -4.1613 -4.1613 -4.1454 -4.1454 -4.0932 -4.0932 -4.0607 -4.0607 -3.9830 -3.9830 -3.8675 -3.8675 2.4666 2.4666 5.0641 5.0641 8.7532 8.7532 10.1443 10.1443 11.3764 11.3764 13.9500 13.9500 14.6420 14.6420 17.6110 17.6110 k = 0.4057 0.2342-0.0000 ( 2164 PWs) bands (ev): -6.6554 -6.6554 -6.6298 -6.6298 -6.6045 -6.6045 -6.5903 -6.5903 -4.1622 -4.1622 -4.1450 -4.1450 -4.0939 -4.0939 -4.0597 -4.0597 -3.9812 -3.9812 -3.8639 -3.8639 2.5797 2.5797 5.0426 5.0426 8.7069 8.7069 10.1867 10.1867 11.2756 11.2756 13.8958 13.8958 14.4972 14.4972 17.5684 17.5684 k = 0.4151 0.2397-0.0000 ( 2162 PWs) bands (ev): -6.6549 -6.6549 -6.6301 -6.6301 -6.6033 -6.6033 -6.5905 -6.5905 -4.1629 -4.1629 -4.1447 -4.1447 -4.0946 -4.0946 -4.0588 -4.0588 -3.9794 -3.9794 -3.8606 -3.8606 2.6920 2.6920 5.0114 5.0114 8.6729 8.6729 10.2087 10.2087 11.2024 11.2024 13.8432 13.8432 14.3610 14.3610 17.5299 17.5299 k = 0.4245 0.2451-0.0000 ( 2162 PWs) bands (ev): -6.6544 -6.6544 -6.6304 -6.6304 -6.6023 -6.6023 -6.5907 -6.5907 -4.1636 -4.1636 -4.1445 -4.1445 -4.0952 -4.0952 -4.0580 -4.0580 -3.9778 -3.9778 -3.8576 -3.8576 2.8028 2.8028 4.9714 4.9714 8.6515 8.6515 10.2043 10.2043 11.1619 11.1619 13.7906 13.7906 14.2361 14.2361 17.4953 17.4953 k = 0.4340 0.2505-0.0000 ( 2166 PWs) bands (ev): -6.6540 -6.6540 -6.6306 -6.6306 -6.6012 -6.6012 -6.5909 -6.5909 -4.1642 -4.1642 -4.1443 -4.1443 -4.0957 -4.0957 -4.0572 -4.0572 -3.9764 -3.9764 -3.8550 -3.8550 2.9109 2.9109 4.9239 4.9239 8.6422 8.6422 10.1730 10.1730 11.1538 11.1538 13.7360 13.7360 14.1257 14.1257 17.4647 17.4647 k = 0.4434 0.2560-0.0000 ( 2174 PWs) bands (ev): -6.6536 -6.6536 -6.6309 -6.6309 -6.6003 -6.6003 -6.5912 -6.5912 -4.1647 -4.1647 -4.1441 -4.1441 -4.0962 -4.0962 -4.0566 -4.0566 -3.9751 -3.9751 -3.8526 -3.8526 3.0147 3.0147 4.8707 4.8707 8.6436 8.6436 10.1207 10.1207 11.1718 11.1718 13.6779 13.6779 14.0331 14.0331 17.4382 17.4382 k = 0.4528 0.2614-0.0000 ( 2174 PWs) bands (ev): -6.6533 -6.6533 -6.6311 -6.6311 -6.5994 -6.5994 -6.5915 -6.5915 -4.1652 -4.1652 -4.1439 -4.1439 -4.0966 -4.0966 -4.0560 -4.0560 -3.9740 -3.9740 -3.8506 -3.8506 3.1123 3.1123 4.8143 4.8143 8.6535 8.6535 10.0569 10.0569 11.2060 11.2060 13.6163 13.6163 13.9604 13.9604 17.4157 17.4157 k = 0.4623 0.2669-0.0000 ( 2170 PWs) bands (ev): -6.6530 -6.6530 -6.6313 -6.6313 -6.5987 -6.5987 -6.5917 -6.5917 -4.1656 -4.1656 -4.1438 -4.1438 -4.0970 -4.0970 -4.0556 -4.0556 -3.9730 -3.9730 -3.8490 -3.8490 3.2009 3.2009 4.7583 4.7583 8.6693 8.6693 9.9906 9.9906 11.2472 11.2472 13.5542 13.5542 13.9067 13.9067 17.3973 17.3973 k = 0.4717 0.2723-0.0000 ( 2166 PWs) bands (ev): -6.6528 -6.6528 -6.6315 -6.6315 -6.5980 -6.5980 -6.5920 -6.5920 -4.1659 -4.1659 -4.1438 -4.1438 -4.0972 -4.0972 -4.0552 -4.0552 -3.9723 -3.9723 -3.8477 -3.8477 3.2772 3.2772 4.7066 4.7066 8.6877 8.6877 9.9298 9.9298 11.2875 11.2875 13.4973 13.4973 13.8692 13.8692 17.3830 17.3830 k = 0.4811 0.2778-0.0000 ( 2160 PWs) bands (ev): -6.6526 -6.6526 -6.6316 -6.6316 -6.5975 -6.5975 -6.5922 -6.5922 -4.1661 -4.1661 -4.1437 -4.1437 -4.0974 -4.0974 -4.0550 -4.0550 -3.9718 -3.9718 -3.8467 -3.8467 3.3367 3.3367 4.6641 4.6641 8.7047 8.7047 9.8809 9.8809 11.3209 11.3209 13.4517 13.4517 13.8447 13.8447 17.3727 17.3727 k = 0.4906 0.2832-0.0000 ( 2164 PWs) bands (ev): -6.6525 -6.6525 -6.6317 -6.6317 -6.5972 -6.5972 -6.5924 -6.5924 -4.1662 -4.1662 -4.1437 -4.1437 -4.0975 -4.0975 -4.0548 -4.0548 -3.9715 -3.9715 -3.8462 -3.8462 3.3750 3.3750 4.6359 4.6359 8.7169 8.7169 9.8491 9.8491 11.3429 11.3429 13.4221 13.4221 13.8309 13.8309 17.3666 17.3666 k = 0.5000 0.2887-0.0000 ( 2164 PWs) bands (ev): -6.6525 -6.6525 -6.6318 -6.6318 -6.5971 -6.5971 -6.5925 -6.5925 -4.1662 -4.1662 -4.1437 -4.1437 -4.0975 -4.0975 -4.0548 -4.0548 -3.9714 -3.9714 -3.8460 -3.8460 3.3883 3.3883 4.6260 4.6260 8.7213 8.7213 9.8381 9.8381 11.3505 11.3505 13.4119 13.4119 13.8264 13.8264 17.3645 17.3645 k = 0.5000 0.2887-0.0000 ( 2164 PWs) bands (ev): -6.6525 -6.6525 -6.6318 -6.6318 -6.5971 -6.5971 -6.5925 -6.5925 -4.1662 -4.1662 -4.1437 -4.1437 -4.0975 -4.0975 -4.0548 -4.0548 -3.9714 -3.9714 -3.8460 -3.8460 3.3883 3.3883 4.6260 4.6260 8.7213 8.7213 9.8381 9.8381 11.3505 11.3505 13.4119 13.4119 13.8264 13.8264 17.3645 17.3645 k = 0.4946 0.2980-0.0000 ( 2164 PWs) bands (ev): -6.6525 -6.6525 -6.6317 -6.6317 -6.5971 -6.5971 -6.5925 -6.5925 -4.1662 -4.1662 -4.1436 -4.1436 -4.0975 -4.0975 -4.0547 -4.0547 -3.9714 -3.9714 -3.8462 -3.8462 3.3895 3.3895 4.6266 4.6266 8.7222 8.7222 9.8395 9.8395 11.3522 11.3522 13.4120 13.4120 13.8121 13.8121 17.3488 17.3488 k = 0.4892 0.3073-0.0000 ( 2160 PWs) bands (ev): -6.6523 -6.6523 -6.6315 -6.6315 -6.5972 -6.5972 -6.5925 -6.5925 -4.1661 -4.1661 -4.1434 -4.1434 -4.0975 -4.0975 -4.0544 -4.0544 -3.9716 -3.9716 -3.8467 -3.8467 3.3931 3.3931 4.6286 4.6286 8.7246 8.7246 9.8435 9.8435 11.3571 11.3571 13.4120 13.4120 13.7702 13.7702 17.3020 17.3020 k = 0.4839 0.3166-0.0000 ( 2164 PWs) bands (ev): -6.6521 -6.6521 -6.6312 -6.6312 -6.5973 -6.5973 -6.5924 -6.5924 -4.1659 -4.1659 -4.1431 -4.1431 -4.0975 -4.0975 -4.0539 -4.0539 -3.9719 -3.9719 -3.8475 -3.8475 3.3992 3.3992 4.6318 4.6318 8.7288 8.7288 9.8502 9.8502 11.3654 11.3654 13.4119 13.4119 13.7031 13.7031 17.2262 17.2262 k = 0.4785 0.3259-0.0000 ( 2160 PWs) bands (ev): -6.6518 -6.6518 -6.6308 -6.6308 -6.5974 -6.5974 -6.5924 -6.5924 -4.1656 -4.1656 -4.1427 -4.1427 -4.0974 -4.0974 -4.0532 -4.0532 -3.9723 -3.9723 -3.8486 -3.8486 3.4077 3.4077 4.6363 4.6363 8.7344 8.7344 9.8595 9.8595 11.3769 11.3769 13.4107 13.4107 13.6150 13.6150 17.1243 17.1243 k = 0.4731 0.3352-0.0000 ( 2156 PWs) bands (ev): -6.6514 -6.6514 -6.6303 -6.6303 -6.5976 -6.5976 -6.5924 -6.5924 -4.1653 -4.1653 -4.1422 -4.1422 -4.0973 -4.0973 -4.0523 -4.0523 -3.9728 -3.9728 -3.8501 -3.8501 3.4186 3.4186 4.6419 4.6419 8.7416 8.7416 9.8714 9.8714 11.3916 11.3916 13.4046 13.4046 13.5137 13.5137 16.9998 16.9998 k = 0.4677 0.3445-0.0000 ( 2152 PWs) bands (ev): -6.6509 -6.6509 -6.6297 -6.6297 -6.5978 -6.5978 -6.5923 -6.5923 -4.1649 -4.1649 -4.1415 -4.1415 -4.0972 -4.0972 -4.0512 -4.0512 -3.9733 -3.9733 -3.8519 -3.8519 3.4320 3.4320 4.6487 4.6487 8.7500 8.7500 9.8857 9.8857 11.4094 11.4094 13.3570 13.3570 13.4396 13.4396 16.8566 16.8566 k = 0.4624 0.3539-0.0000 ( 2154 PWs) bands (ev): -6.6504 -6.6504 -6.6289 -6.6289 -6.5980 -6.5980 -6.5923 -6.5923 -4.1644 -4.1644 -4.1408 -4.1408 -4.0970 -4.0970 -4.0501 -4.0501 -3.9739 -3.9739 -3.8540 -3.8540 3.4478 3.4478 4.6565 4.6565 8.7597 8.7597 9.9024 9.9024 11.4302 11.4302 13.2380 13.2380 13.4264 13.4264 16.6982 16.6982 k = 0.4570 0.3632-0.0000 ( 2148 PWs) bands (ev): -6.6498 -6.6498 -6.6281 -6.6281 -6.5983 -6.5983 -6.5923 -6.5923 -4.1639 -4.1639 -4.1401 -4.1401 -4.0967 -4.0967 -4.0488 -4.0488 -3.9746 -3.9746 -3.8564 -3.8564 3.4660 3.4660 4.6653 4.6653 8.7703 8.7703 9.9214 9.9214 11.4538 11.4538 13.1016 13.1016 13.4232 13.4232 16.5278 16.5278 k = 0.4516 0.3725-0.0000 ( 2152 PWs) bands (ev): -6.6491 -6.6491 -6.6273 -6.6273 -6.5986 -6.5986 -6.5922 -6.5922 -4.1633 -4.1633 -4.1392 -4.1392 -4.0964 -4.0964 -4.0475 -4.0475 -3.9752 -3.9752 -3.8591 -3.8591 3.4866 3.4866 4.6748 4.6748 8.7817 8.7817 9.9425 9.9425 11.4801 11.4801 12.9599 12.9599 13.4209 13.4209 16.3484 16.3484 k = 0.4462 0.3818-0.0000 ( 2152 PWs) bands (ev): -6.6484 -6.6484 -6.6264 -6.6264 -6.5989 -6.5989 -6.5922 -6.5922 -4.1626 -4.1626 -4.1383 -4.1383 -4.0960 -4.0960 -4.0460 -4.0460 -3.9759 -3.9759 -3.8621 -3.8621 3.5096 3.5096 4.6850 4.6850 8.7936 8.7936 9.9655 9.9655 11.5087 11.5087 12.8170 12.8170 13.4179 13.4179 16.1625 16.1625 k = 0.4409 0.3911-0.0000 ( 2152 PWs) bands (ev): -6.6476 -6.6476 -6.6254 -6.6254 -6.5992 -6.5992 -6.5921 -6.5921 -4.1618 -4.1618 -4.1374 -4.1374 -4.0955 -4.0955 -4.0446 -4.0446 -3.9764 -3.9764 -3.8653 -3.8653 3.5349 3.5349 4.6957 4.6957 8.8055 8.8055 9.9902 9.9902 11.5390 11.5390 12.6763 12.6763 13.4134 13.4134 15.9722 15.9722 k = 0.4355 0.4004-0.0000 ( 2156 PWs) bands (ev): -6.6467 -6.6467 -6.6244 -6.6244 -6.5995 -6.5995 -6.5921 -6.5921 -4.1609 -4.1609 -4.1365 -4.1365 -4.0950 -4.0950 -4.0431 -4.0431 -3.9769 -3.9769 -3.8688 -3.8688 3.5627 3.5627 4.7067 4.7067 8.8172 8.8172 10.0164 10.0164 11.5703 11.5703 12.5407 12.5407 13.4067 13.4067 15.7794 15.7794 k = 0.4301 0.4097-0.0000 ( 2152 PWs) bands (ev): -6.6458 -6.6458 -6.6234 -6.6234 -6.5998 -6.5998 -6.5921 -6.5921 -4.1600 -4.1600 -4.1356 -4.1356 -4.0944 -4.0944 -4.0415 -4.0415 -3.9773 -3.9773 -3.8725 -3.8725 3.5928 3.5928 4.7178 4.7178 8.8282 8.8282 10.0437 10.0437 11.6012 11.6012 12.4136 12.4136 13.3971 13.3971 15.5860 15.5860 k = 0.4247 0.4190-0.0000 ( 2154 PWs) bands (ev): -6.6449 -6.6449 -6.6225 -6.6225 -6.6001 -6.6001 -6.5921 -6.5921 -4.1590 -4.1590 -4.1347 -4.1347 -4.0938 -4.0938 -4.0400 -4.0400 -3.9776 -3.9776 -3.8764 -3.8764 3.6252 3.6252 4.7286 4.7286 8.8378 8.8378 10.0720 10.0720 11.6295 11.6295 12.2994 12.2994 13.3837 13.3837 15.3935 15.3935 k = 0.4194 0.4284-0.0000 ( 2162 PWs) bands (ev): -6.6440 -6.6440 -6.6215 -6.6215 -6.6003 -6.6003 -6.5921 -6.5921 -4.1579 -4.1579 -4.1339 -4.1339 -4.0932 -4.0932 -4.0385 -4.0385 -3.9776 -3.9776 -3.8804 -3.8804 3.6599 3.6599 4.7390 4.7390 8.8456 8.8456 10.1007 10.1007 11.6512 11.6512 12.2037 12.2037 13.3656 13.3656 15.2035 15.2035 k = 0.4140 0.4377-0.0000 ( 2160 PWs) bands (ev): -6.6430 -6.6430 -6.6207 -6.6207 -6.6005 -6.6005 -6.5921 -6.5921 -4.1567 -4.1567 -4.1331 -4.1331 -4.0925 -4.0925 -4.0369 -4.0369 -3.9775 -3.9775 -3.8847 -3.8847 3.6969 3.6969 4.7486 4.7486 8.8510 8.8510 10.1296 10.1296 11.6606 11.6606 12.1338 12.1338 13.3416 13.3416 15.0176 15.0176 k = 0.4086 0.4470-0.0000 ( 2159 PWs) bands (ev): -6.6420 -6.6420 -6.6199 -6.6199 -6.6006 -6.6006 -6.5921 -6.5921 -4.1555 -4.1555 -4.1324 -4.1324 -4.0919 -4.0919 -4.0354 -4.0354 -3.9772 -3.9772 -3.8891 -3.8891 3.7361 3.7361 4.7571 4.7571 8.8532 8.8532 10.1585 10.1585 11.6524 11.6524 12.0968 12.0968 13.3105 13.3105 14.8375 14.8375 k = 0.4032 0.4563-0.0000 ( 2159 PWs) bands (ev): -6.6410 -6.6410 -6.6193 -6.6193 -6.6006 -6.6006 -6.5921 -6.5921 -4.1541 -4.1541 -4.1318 -4.1318 -4.0914 -4.0914 -4.0337 -4.0337 -3.9767 -3.9767 -3.8936 -3.8936 3.7775 3.7775 4.7639 4.7639 8.8518 8.8518 10.1869 10.1869 11.6277 11.6277 12.0928 12.0928 13.2708 13.2708 14.6649 14.6649 k = 0.3978 0.4656-0.0000 ( 2163 PWs) bands (ev): -6.6400 -6.6400 -6.6187 -6.6187 -6.6005 -6.6005 -6.5922 -6.5922 -4.1527 -4.1527 -4.1313 -4.1313 -4.0910 -4.0910 -4.0321 -4.0321 -3.9759 -3.9759 -3.8982 -3.8982 3.8211 3.8211 4.7688 4.7688 8.8461 8.8461 10.2148 10.2148 11.5948 11.5948 12.1144 12.1144 13.2213 13.2213 14.5015 14.5015 k = 0.3925 0.4749-0.0000 ( 2161 PWs) bands (ev): -6.6390 -6.6390 -6.6184 -6.6184 -6.6003 -6.6003 -6.5922 -6.5922 -4.1513 -4.1513 -4.1309 -4.1309 -4.0908 -4.0908 -4.0303 -4.0303 -3.9750 -3.9750 -3.9028 -3.9028 3.8668 3.8668 4.7712 4.7712 8.8360 8.8360 10.2423 10.2423 11.5631 11.5631 12.1526 12.1526 13.1609 13.1609 14.3486 14.3486 k = 0.3871 0.4842-0.0000 ( 2161 PWs) bands (ev): -6.6379 -6.6379 -6.6182 -6.6182 -6.6000 -6.6000 -6.5923 -6.5923 -4.1498 -4.1498 -4.1306 -4.1306 -4.0906 -4.0906 -4.0285 -4.0285 -3.9739 -3.9739 -3.9075 -3.9075 3.9145 3.9145 4.7706 4.7706 8.8214 8.8214 10.2694 10.2694 11.5390 11.5390 12.2007 12.2007 13.0895 13.0895 14.2073 14.2073 k = 0.3817 0.4935-0.0000 ( 2161 PWs) bands (ev): -6.6369 -6.6369 -6.6182 -6.6182 -6.5996 -6.5996 -6.5924 -6.5924 -4.1483 -4.1483 -4.1304 -4.1304 -4.0906 -4.0906 -4.0265 -4.0265 -3.9727 -3.9727 -3.9121 -3.9121 3.9641 3.9641 4.7664 4.7664 8.8027 8.8027 10.2964 10.2964 11.5254 11.5254 12.2539 12.2539 13.0086 13.0086 14.0776 14.0776 k = 0.3763 0.5029-0.0000 ( 2161 PWs) bands (ev): -6.6360 -6.6360 -6.6183 -6.6183 -6.5991 -6.5991 -6.5925 -6.5925 -4.1468 -4.1468 -4.1303 -4.1303 -4.0908 -4.0908 -4.0245 -4.0245 -3.9714 -3.9714 -3.9166 -3.9166 4.0156 4.0156 4.7581 4.7581 8.7804 8.7804 10.3238 10.3238 11.5234 11.5234 12.3076 12.3076 12.9219 12.9219 13.9588 13.9588 k = 0.3710 0.5122-0.0000 ( 2161 PWs) bands (ev): -6.6350 -6.6350 -6.6185 -6.6185 -6.5985 -6.5985 -6.5927 -6.5927 -4.1452 -4.1452 -4.1304 -4.1304 -4.0911 -4.0911 -4.0224 -4.0224 -3.9701 -3.9701 -3.9209 -3.9209 4.0689 4.0689 4.7452 4.7452 8.7555 8.7555 10.3517 10.3517 11.5329 11.5329 12.3549 12.3549 12.8378 12.8378 13.8490 13.8490 k = 0.3656 0.5215-0.0000 ( 2161 PWs) bands (ev): -6.6342 -6.6342 -6.6189 -6.6189 -6.5979 -6.5979 -6.5928 -6.5928 -4.1437 -4.1437 -4.1305 -4.1305 -4.0914 -4.0914 -4.0203 -4.0203 -3.9689 -3.9689 -3.9250 -3.9250 4.1238 4.1238 4.7270 4.7270 8.7295 8.7295 10.3801 10.3801 11.5525 11.5525 12.3817 12.3817 12.7729 12.7729 13.7462 13.7462 k = 0.3602 0.5308-0.0000 ( 2159 PWs) bands (ev): -6.6333 -6.6333 -6.6193 -6.6193 -6.5973 -6.5973 -6.5930 -6.5930 -4.1421 -4.1421 -4.1309 -4.1309 -4.0918 -4.0918 -4.0182 -4.0182 -3.9677 -3.9677 -3.9287 -3.9287 4.1802 4.1802 4.7031 4.7031 8.7036 8.7036 10.4088 10.4088 11.5804 11.5804 12.3681 12.3681 12.7504 12.7504 13.6485 13.6485 k = 0.3548 0.5401-0.0000 ( 2159 PWs) bands (ev): -6.6326 -6.6326 -6.6197 -6.6197 -6.5968 -6.5968 -6.5932 -6.5932 -4.1407 -4.1407 -4.1313 -4.1313 -4.0923 -4.0923 -4.0163 -4.0163 -3.9668 -3.9668 -3.9318 -3.9318 4.2380 4.2380 4.6730 4.6730 8.6795 8.6795 10.4368 10.4368 11.6141 11.6141 12.3129 12.3129 12.7755 12.7755 13.5544 13.5544 k = 0.3495 0.5494-0.0000 ( 2155 PWs) bands (ev): -6.6319 -6.6319 -6.6201 -6.6201 -6.5962 -6.5962 -6.5935 -6.5935 -4.1393 -4.1393 -4.1319 -4.1319 -4.0926 -4.0926 -4.0146 -4.0146 -3.9662 -3.9662 -3.9344 -3.9344 4.2967 4.2967 4.6365 4.6365 8.6586 8.6586 10.4628 10.4628 11.6499 11.6499 12.2400 12.2400 12.8288 12.8288 13.4642 13.4642 k = 0.3441 0.5587-0.0000 ( 2155 PWs) bands (ev): -6.6314 -6.6314 -6.6204 -6.6204 -6.5958 -6.5958 -6.5937 -6.5937 -4.1381 -4.1381 -4.1325 -4.1325 -4.0929 -4.0929 -4.0132 -4.0132 -3.9659 -3.9659 -3.9362 -3.9362 4.3562 4.3562 4.5933 4.5933 8.6424 8.6424 10.4848 10.4848 11.6827 11.6827 12.1717 12.1717 12.8919 12.8919 13.3805 13.3805 k = 0.3387 0.5680-0.0000 ( 2159 PWs) bands (ev): -6.6311 -6.6311 -6.6206 -6.6206 -6.5954 -6.5954 -6.5939 -6.5939 -4.1371 -4.1371 -4.1331 -4.1331 -4.0931 -4.0931 -4.0123 -4.0123 -3.9658 -3.9658 -3.9372 -3.9372 4.4149 4.4149 4.5446 4.5446 8.6320 8.6320 10.5001 10.5001 11.7053 11.7053 12.1243 12.1243 12.9488 12.9488 13.3125 13.3125 k = 0.3333 0.5774-0.0000 ( 2163 PWs) bands (ev): -6.6310 -6.6310 -6.6207 -6.6207 -6.5953 -6.5953 -6.5940 -6.5940 -4.1367 -4.1367 -4.1334 -4.1334 -4.0932 -4.0932 -4.0120 -4.0120 -3.9658 -3.9658 -3.9375 -3.9375 4.4567 4.4567 4.5061 4.5061 8.6283 8.6283 10.5059 10.5059 11.7127 11.7127 12.1081 12.1081 12.9744 12.9744 13.2832 13.2832 k = 0.3333 0.5774-0.0000 ( 2163 PWs) bands (ev): -6.6310 -6.6310 -6.6207 -6.6207 -6.5953 -6.5953 -6.5940 -6.5940 -4.1367 -4.1367 -4.1334 -4.1334 -4.0932 -4.0932 -4.0120 -4.0120 -3.9658 -3.9658 -3.9375 -3.9375 4.4567 4.4567 4.5061 4.5061 8.6283 8.6283 10.5059 10.5059 11.7127 11.7127 12.1081 12.1081 12.9744 12.9744 13.2832 13.2832 k = 0.3279 0.5679-0.0000 ( 2159 PWs) bands (ev): -6.6311 -6.6311 -6.6206 -6.6206 -6.5954 -6.5954 -6.5939 -6.5939 -4.1371 -4.1371 -4.1331 -4.1331 -4.0931 -4.0931 -4.0123 -4.0123 -3.9657 -3.9657 -3.9372 -3.9372 4.4104 4.4104 4.5489 4.5489 8.6323 8.6323 10.4990 10.4990 11.7083 11.7083 12.1220 12.1220 12.9478 12.9478 13.3142 13.3142 k = 0.3224 0.5584-0.0000 ( 2151 PWs) bands (ev): -6.6314 -6.6314 -6.6204 -6.6204 -6.5957 -6.5957 -6.5938 -6.5938 -4.1381 -4.1381 -4.1325 -4.1325 -4.0929 -4.0929 -4.0134 -4.0134 -3.9654 -3.9654 -3.9365 -3.9365 4.3391 4.3391 4.6096 4.6096 8.6446 8.6446 10.4773 10.4773 11.7038 11.7038 12.1539 12.1539 12.8899 12.8899 13.3883 13.3883 k = 0.3169 0.5490-0.0000 ( 2151 PWs) bands (ev): -6.6320 -6.6320 -6.6199 -6.6199 -6.5961 -6.5961 -6.5937 -6.5937 -4.1394 -4.1394 -4.1318 -4.1318 -4.0925 -4.0925 -4.0152 -4.0152 -3.9647 -3.9647 -3.9356 -3.9356 4.2595 4.2595 4.6713 4.6713 8.6653 8.6653 10.4403 10.4403 11.7089 11.7089 12.1877 12.1877 12.8309 12.8309 13.4824 13.4824 k = 0.3115 0.5395-0.0000 ( 2155 PWs) bands (ev): -6.6327 -6.6327 -6.6194 -6.6194 -6.5966 -6.5966 -6.5936 -6.5936 -4.1407 -4.1407 -4.1311 -4.1311 -4.0921 -4.0921 -4.0175 -4.0175 -3.9636 -3.9636 -3.9345 -3.9345 4.1733 4.1733 4.7327 4.7327 8.6947 8.6947 10.3899 10.3899 11.7271 11.7271 12.2071 12.2071 12.7921 12.7921 13.5868 13.5868 k = 0.3060 0.5300-0.0000 ( 2159 PWs) bands (ev): -6.6335 -6.6335 -6.6188 -6.6188 -6.5971 -6.5971 -6.5936 -6.5936 -4.1422 -4.1422 -4.1306 -4.1306 -4.0915 -4.0915 -4.0203 -4.0203 -3.9624 -3.9624 -3.9334 -3.9334 4.0810 4.0810 4.7930 4.7930 8.7326 8.7326 10.3293 10.3293 11.7566 11.7566 12.1998 12.1998 12.7891 12.7891 13.6977 13.6977 k = 0.3005 0.5206-0.0000 ( 2155 PWs) bands (ev): -6.6344 -6.6344 -6.6182 -6.6182 -6.5976 -6.5976 -6.5937 -6.5937 -4.1437 -4.1437 -4.1301 -4.1301 -4.0909 -4.0909 -4.0234 -4.0234 -3.9609 -3.9609 -3.9323 -3.9323 3.9834 3.9834 4.8517 4.8517 8.7786 8.7786 10.2624 10.2624 11.7895 11.7895 12.1685 12.1685 12.8254 12.8254 13.8136 13.8136 k = 0.2951 0.5111-0.0000 ( 2155 PWs) bands (ev): -6.6354 -6.6354 -6.6176 -6.6176 -6.5981 -6.5981 -6.5939 -6.5939 -4.1451 -4.1451 -4.1298 -4.1298 -4.0903 -4.0903 -4.0266 -4.0266 -3.9593 -3.9593 -3.9313 -3.9313 3.8812 3.8812 4.9082 4.9082 8.8324 8.8324 10.1929 10.1929 11.8086 11.8086 12.1371 12.1371 12.8925 12.8925 13.9335 13.9335 k = 0.2896 0.5016-0.0000 ( 2155 PWs) bands (ev): -6.6364 -6.6364 -6.6169 -6.6169 -6.5987 -6.5987 -6.5942 -6.5942 -4.1466 -4.1466 -4.1295 -4.1295 -4.0897 -4.0897 -4.0300 -4.0300 -3.9577 -3.9577 -3.9304 -3.9304 3.7749 3.7749 4.9619 4.9619 8.8934 8.8934 10.1243 10.1243 11.7879 11.7879 12.1398 12.1398 12.9801 12.9801 14.0571 14.0571 k = 0.2842 0.4922-0.0000 ( 2155 PWs) bands (ev): -6.6375 -6.6375 -6.6163 -6.6163 -6.5993 -6.5993 -6.5945 -6.5945 -4.1479 -4.1479 -4.1293 -4.1293 -4.0892 -4.0892 -4.0333 -4.0333 -3.9561 -3.9561 -3.9297 -3.9297 3.6651 3.6651 5.0123 5.0123 8.9607 8.9607 10.0596 10.0596 11.7222 11.7222 12.1874 12.1874 13.0813 13.0813 14.1839 14.1839 k = 0.2787 0.4827-0.0000 ( 2151 PWs) bands (ev): -6.6386 -6.6386 -6.6158 -6.6158 -6.5998 -6.5998 -6.5949 -6.5949 -4.1493 -4.1493 -4.1292 -4.1292 -4.0888 -4.0888 -4.0365 -4.0365 -3.9545 -3.9545 -3.9292 -3.9292 3.5525 3.5525 5.0588 5.0588 9.0332 9.0332 10.0014 10.0014 11.6301 11.6301 12.2643 12.2643 13.1920 13.1920 14.3139 14.3139 k = 0.2732 0.4732-0.0000 ( 2143 PWs) bands (ev): -6.6397 -6.6397 -6.6152 -6.6152 -6.6004 -6.6004 -6.5953 -6.5953 -4.1505 -4.1505 -4.1292 -4.1292 -4.0886 -4.0886 -4.0395 -4.0395 -3.9531 -3.9531 -3.9289 -3.9289 3.4377 3.4377 5.1007 5.1007 9.1096 9.1096 9.9525 9.9525 11.5260 11.5260 12.3579 12.3579 13.3098 13.3098 14.4469 14.4469 k = 0.2678 0.4638-0.0000 ( 2131 PWs) bands (ev): -6.6408 -6.6408 -6.6148 -6.6148 -6.6010 -6.6010 -6.5957 -6.5957 -4.1516 -4.1516 -4.1292 -4.1292 -4.0886 -4.0886 -4.0423 -4.0423 -3.9519 -3.9519 -3.9289 -3.9289 3.3210 3.3210 5.1375 5.1375 9.1876 9.1876 9.9157 9.9157 11.4169 11.4169 12.4621 12.4621 13.4333 13.4333 14.5826 14.5826 k = 0.2623 0.4543-0.0000 ( 2139 PWs) bands (ev): -6.6419 -6.6419 -6.6145 -6.6145 -6.6016 -6.6016 -6.5962 -6.5962 -4.1527 -4.1527 -4.1292 -4.1292 -4.0888 -4.0888 -4.0448 -4.0448 -3.9507 -3.9507 -3.9291 -3.9291 3.2030 3.2030 5.1686 5.1686 9.2641 9.2641 9.8946 9.8946 11.3066 11.3066 12.5740 12.5740 13.5617 13.5617 14.7211 14.7211 k = 0.2568 0.4448-0.0000 ( 2147 PWs) bands (ev): -6.6431 -6.6431 -6.6143 -6.6143 -6.6023 -6.6023 -6.5966 -6.5966 -4.1536 -4.1536 -4.1293 -4.1293 -4.0894 -4.0894 -4.0469 -4.0469 -3.9498 -3.9498 -3.9296 -3.9296 3.0842 3.0842 5.1936 5.1936 9.3347 9.3347 9.8936 9.8936 11.1976 11.1976 12.6922 12.6922 13.6943 13.6943 14.8622 14.8622 k = 0.2514 0.4354-0.0000 ( 2145 PWs) bands (ev): -6.6442 -6.6442 -6.6143 -6.6143 -6.6029 -6.6029 -6.5970 -6.5970 -4.1545 -4.1545 -4.1293 -4.1293 -4.0903 -4.0903 -4.0487 -4.0487 -3.9490 -3.9490 -3.9303 -3.9303 2.9650 2.9650 5.2120 5.2120 9.3942 9.3942 9.9173 9.9173 11.0920 11.0920 12.8156 12.8156 13.8306 13.8306 15.0059 15.0059 k = 0.2459 0.4259-0.0000 ( 2141 PWs) bands (ev): -6.6453 -6.6453 -6.6144 -6.6144 -6.6037 -6.6037 -6.5972 -6.5972 -4.1552 -4.1552 -4.1294 -4.1294 -4.0914 -4.0914 -4.0502 -4.0502 -3.9485 -3.9485 -3.9314 -3.9314 2.8456 2.8456 5.2238 5.2238 9.4390 9.4390 9.9684 9.9684 10.9917 10.9917 12.9435 12.9435 13.9703 13.9703 15.1521 15.1521 k = 0.2404 0.4164-0.0000 ( 2143 PWs) bands (ev): -6.6464 -6.6464 -6.6146 -6.6146 -6.6046 -6.6046 -6.5974 -6.5974 -4.1558 -4.1558 -4.1296 -4.1296 -4.0929 -4.0929 -4.0514 -4.0514 -3.9481 -3.9481 -3.9328 -3.9328 2.7266 2.7266 5.2286 5.2286 9.4689 9.4689 10.0451 10.0451 10.8992 10.8992 13.0754 13.0754 14.1132 14.1132 15.3007 15.3007 k = 0.2350 0.4070-0.0000 ( 2143 PWs) bands (ev): -6.6475 -6.6475 -6.6149 -6.6149 -6.6055 -6.6055 -6.5973 -6.5973 -4.1562 -4.1562 -4.1297 -4.1297 -4.0945 -4.0945 -4.0522 -4.0522 -3.9479 -3.9479 -3.9344 -3.9344 2.6081 2.6081 5.2266 5.2266 9.4866 9.4866 10.1426 10.1426 10.8173 10.8173 13.2109 13.2109 14.2590 14.2590 15.4516 15.4516 k = 0.2295 0.3975-0.0000 ( 2141 PWs) bands (ev): -6.6486 -6.6486 -6.6154 -6.6154 -6.6066 -6.6066 -6.5972 -6.5972 -4.1566 -4.1566 -4.1298 -4.1298 -4.0964 -4.0964 -4.0529 -4.0529 -3.9479 -3.9479 -3.9363 -3.9363 2.4905 2.4905 5.2179 5.2179 9.4939 9.4939 10.2554 10.2554 10.7494 10.7494 13.3497 13.3497 14.4076 14.4076 15.6048 15.6048 k = 0.2240 0.3881-0.0000 ( 2141 PWs) bands (ev): -6.6497 -6.6497 -6.6160 -6.6160 -6.6078 -6.6078 -6.5969 -6.5969 -4.1568 -4.1568 -4.1299 -4.1299 -4.0984 -4.0984 -4.0534 -4.0534 -3.9480 -3.9480 -3.9386 -3.9386 2.3740 2.3740 5.2027 5.2027 9.4911 9.4911 10.3783 10.3783 10.7004 10.7004 13.4916 13.4916 14.5588 14.5588 15.7602 15.7602 k = 0.2186 0.3786-0.0000 ( 2141 PWs) bands (ev): -6.6508 -6.6508 -6.6167 -6.6167 -6.6091 -6.6091 -6.5966 -6.5966 -4.1570 -4.1570 -4.1300 -4.1300 -4.1005 -4.1005 -4.0538 -4.0538 -3.9483 -3.9483 -3.9411 -3.9411 2.2588 2.2588 5.1815 5.1815 9.4768 9.4768 10.5045 10.5045 10.6782 10.6782 13.6362 13.6362 14.7124 14.7124 15.9178 15.9178 k = 0.2131 0.3691-0.0000 ( 2145 PWs) bands (ev): -6.6518 -6.6518 -6.6175 -6.6175 -6.6105 -6.6105 -6.5962 -6.5962 -4.1570 -4.1570 -4.1302 -4.1302 -4.1026 -4.1026 -4.0541 -4.0541 -3.9488 -3.9488 -3.9439 -3.9439 2.1451 2.1451 5.1548 5.1548 9.4497 9.4497 10.6044 10.6044 10.7133 10.7133 13.7832 13.7832 14.8682 14.8682 16.0773 16.0773 k = 0.2077 0.3597-0.0000 ( 2137 PWs) bands (ev): -6.6528 -6.6528 -6.6183 -6.6183 -6.6119 -6.6119 -6.5958 -6.5958 -4.1570 -4.1570 -4.1303 -4.1303 -4.1047 -4.1047 -4.0544 -4.0544 -3.9493 -3.9493 -3.9469 -3.9469 2.0331 2.0331 5.1230 5.1230 9.4090 9.4090 10.6501 10.6501 10.8338 10.8338 13.9326 13.9326 15.0262 15.0262 16.2389 16.2389 k = 0.2022 0.3502-0.0000 ( 2137 PWs) bands (ev): -6.6538 -6.6538 -6.6192 -6.6192 -6.6134 -6.6134 -6.5953 -6.5953 -4.1569 -4.1569 -4.1304 -4.1304 -4.1068 -4.1068 -4.0548 -4.0548 -3.9506 -3.9506 -3.9496 -3.9496 1.9230 1.9230 5.0867 5.0867 9.3556 9.3556 10.6974 10.6974 10.9822 10.9822 14.0840 14.0840 15.1862 15.1862 16.4024 16.4024 k = 0.1967 0.3407-0.0000 ( 2137 PWs) bands (ev): -6.6548 -6.6548 -6.6201 -6.6201 -6.6150 -6.6150 -6.5948 -6.5948 -4.1567 -4.1567 -4.1305 -4.1305 -4.1088 -4.1088 -4.0552 -4.0552 -3.9539 -3.9539 -3.9505 -3.9505 1.8150 1.8150 5.0466 5.0466 9.2913 9.2913 10.7627 10.7627 11.1400 11.1400 14.2371 14.2371 15.3481 15.3481 16.5676 16.5676 k = 0.1913 0.3313-0.0000 ( 2137 PWs) bands (ev): -6.6558 -6.6558 -6.6211 -6.6211 -6.6166 -6.6166 -6.5944 -6.5944 -4.1564 -4.1564 -4.1306 -4.1306 -4.1107 -4.1107 -4.0558 -4.0558 -3.9576 -3.9576 -3.9512 -3.9512 1.7091 1.7091 5.0032 5.0032 9.2186 9.2186 10.8461 10.8461 11.3037 11.3037 14.3918 14.3918 15.5116 15.5116 16.7345 16.7345 k = 0.1858 0.3218-0.0000 ( 2141 PWs) bands (ev): -6.6567 -6.6567 -6.6221 -6.6221 -6.6183 -6.6183 -6.5939 -6.5939 -4.1562 -4.1562 -4.1308 -4.1308 -4.1125 -4.1125 -4.0565 -4.0565 -3.9616 -3.9616 -3.9520 -3.9520 1.6054 1.6054 4.9572 4.9572 9.1397 9.1397 10.9458 10.9458 11.4722 11.4722 14.5478 14.5478 15.6766 15.6766 16.9031 16.9031 k = 0.1803 0.3123-0.0000 ( 2145 PWs) bands (ev): -6.6576 -6.6576 -6.6232 -6.6232 -6.6199 -6.6199 -6.5935 -6.5935 -4.1559 -4.1559 -4.1310 -4.1310 -4.1141 -4.1141 -4.0573 -4.0573 -3.9658 -3.9658 -3.9527 -3.9527 1.5042 1.5042 4.9089 4.9089 9.0565 9.0565 11.0598 11.0598 11.6449 11.6449 14.7047 14.7047 15.8430 15.8430 17.0730 17.0730 k = 0.1749 0.3029-0.0000 ( 2145 PWs) bands (ev): -6.6585 -6.6585 -6.6244 -6.6244 -6.6216 -6.6216 -6.5930 -6.5930 -4.1556 -4.1556 -4.1312 -4.1312 -4.1156 -4.1156 -4.0584 -4.0584 -3.9701 -3.9701 -3.9533 -3.9533 1.4055 1.4055 4.8591 4.8591 8.9708 8.9708 11.1862 11.1862 11.8215 11.8215 14.8624 14.8624 16.0105 16.0105 17.2443 17.2443 k = 0.1694 0.2934-0.0000 ( 2147 PWs) bands (ev): -6.6593 -6.6593 -6.6256 -6.6256 -6.6232 -6.6232 -6.5926 -6.5926 -4.1553 -4.1553 -4.1314 -4.1314 -4.1168 -4.1168 -4.0597 -4.0597 -3.9746 -3.9746 -3.9538 -3.9538 1.3093 1.3093 4.8080 4.8080 8.8836 8.8836 11.3235 11.3235 12.0016 12.0016 15.0204 15.0204 16.1789 16.1789 17.4167 17.4167 k = 0.1639 0.2839-0.0000 ( 2151 PWs) bands (ev): -6.6602 -6.6602 -6.6270 -6.6270 -6.6248 -6.6248 -6.5923 -6.5923 -4.1550 -4.1550 -4.1317 -4.1317 -4.1179 -4.1179 -4.0612 -4.0612 -3.9792 -3.9792 -3.9542 -3.9542 1.2157 1.2157 4.7562 4.7562 8.7959 8.7959 11.4703 11.4703 12.1850 12.1850 15.1785 15.1785 16.3480 16.3480 17.5901 17.5901 k = 0.1585 0.2745-0.0000 ( 2151 PWs) bands (ev): -6.6610 -6.6610 -6.6286 -6.6286 -6.6262 -6.6262 -6.5919 -6.5919 -4.1548 -4.1548 -4.1320 -4.1320 -4.1187 -4.1187 -4.0630 -4.0630 -3.9839 -3.9839 -3.9544 -3.9544 1.1249 1.1249 4.7040 4.7040 8.7084 8.7084 11.6256 11.6256 12.3713 12.3713 15.3362 15.3362 16.5175 16.5175 17.7642 17.7642 k = 0.1530 0.2650-0.0000 ( 2155 PWs) bands (ev): -6.6618 -6.6618 -6.6303 -6.6303 -6.6275 -6.6275 -6.5916 -6.5916 -4.1547 -4.1547 -4.1323 -4.1323 -4.1194 -4.1194 -4.0650 -4.0650 -3.9887 -3.9887 -3.9545 -3.9545 1.0369 1.0369 4.6518 4.6518 8.6218 8.6218 11.7885 11.7885 12.5603 12.5603 15.4932 15.4932 16.6870 16.6870 17.9387 17.9387 k = 0.1475 0.2555-0.0000 ( 2149 PWs) bands (ev): -6.6625 -6.6625 -6.6320 -6.6320 -6.6288 -6.6288 -6.5913 -6.5913 -4.1546 -4.1546 -4.1325 -4.1325 -4.1198 -4.1198 -4.0673 -4.0673 -3.9936 -3.9936 -3.9543 -3.9543 0.9517 0.9517 4.5999 4.5999 8.5364 8.5364 11.9581 11.9581 12.7519 12.7519 15.6490 15.6490 16.8563 16.8563 18.1135 18.1135 k = 0.1421 0.2461-0.0000 ( 2145 PWs) bands (ev): -6.6632 -6.6632 -6.6339 -6.6339 -6.6300 -6.6300 -6.5911 -6.5911 -4.1547 -4.1547 -4.1327 -4.1327 -4.1201 -4.1201 -4.0698 -4.0698 -3.9985 -3.9985 -3.9540 -3.9540 0.8695 0.8695 4.5486 4.5486 8.4525 8.4525 12.1338 12.1338 12.9457 12.9457 15.8031 15.8031 17.0248 17.0248 18.2881 18.2881 k = 0.1366 0.2366-0.0000 ( 2151 PWs) bands (ev): -6.6640 -6.6640 -6.6358 -6.6358 -6.6312 -6.6312 -6.5909 -6.5909 -4.1549 -4.1549 -4.1328 -4.1328 -4.1203 -4.1203 -4.0726 -4.0726 -4.0035 -4.0035 -3.9534 -3.9534 0.7901 0.7901 4.4980 4.4980 8.3706 8.3706 12.3149 12.3149 13.1414 13.1414 15.9550 15.9550 17.1920 17.1920 18.4621 18.4621 k = 0.1311 0.2272-0.0000 ( 2151 PWs) bands (ev): -6.6646 -6.6646 -6.6377 -6.6377 -6.6324 -6.6324 -6.5907 -6.5907 -4.1552 -4.1552 -4.1328 -4.1328 -4.1204 -4.1204 -4.0755 -4.0755 -4.0084 -4.0084 -3.9527 -3.9527 0.7137 0.7137 4.4485 4.4485 8.2908 8.2908 12.5009 12.5009 13.3388 13.3388 16.1042 16.1042 17.3575 17.3575 18.6351 18.6351 k = 0.1257 0.2177-0.0000 ( 2161 PWs) bands (ev): -6.6653 -6.6653 -6.6396 -6.6396 -6.6336 -6.6336 -6.5906 -6.5906 -4.1556 -4.1556 -4.1327 -4.1327 -4.1204 -4.1204 -4.0787 -4.0787 -4.0134 -4.0134 -3.9517 -3.9517 0.6403 0.6403 4.4001 4.4001 8.2132 8.2132 12.6912 12.6912 13.5376 13.5376 16.2501 16.2501 17.5205 17.5205 18.8063 18.8063 k = 0.1202 0.2082-0.0000 ( 2165 PWs) bands (ev): -6.6659 -6.6659 -6.6415 -6.6415 -6.6348 -6.6348 -6.5905 -6.5905 -4.1561 -4.1561 -4.1326 -4.1326 -4.1202 -4.1202 -4.0820 -4.0820 -4.0183 -4.0183 -3.9506 -3.9506 0.5700 0.5700 4.3531 4.3531 8.1382 8.1382 12.8852 12.8852 13.7375 13.7375 16.3921 16.3921 17.6804 17.6804 18.9751 18.9751 k = 0.1148 0.1988-0.0000 ( 2153 PWs) bands (ev): -6.6665 -6.6665 -6.6434 -6.6434 -6.6360 -6.6360 -6.5904 -6.5904 -4.1567 -4.1567 -4.1323 -4.1323 -4.1200 -4.1200 -4.0855 -4.0855 -4.0231 -4.0231 -3.9493 -3.9493 0.5027 0.5027 4.3076 4.3076 8.0657 8.0657 13.0824 13.0824 13.9381 13.9381 16.5297 16.5297 17.8364 17.8364 19.1406 19.1406 k = 0.1093 0.1893-0.0000 ( 2153 PWs) bands (ev): -6.6671 -6.6671 -6.6452 -6.6452 -6.6372 -6.6372 -6.5903 -6.5903 -4.1573 -4.1573 -4.1320 -4.1320 -4.1197 -4.1197 -4.0891 -4.0891 -4.0279 -4.0279 -3.9478 -3.9478 0.4385 0.4385 4.2637 4.2637 7.9960 7.9960 13.2823 13.2823 14.1391 14.1391 16.6623 16.6623 17.9876 17.9876 19.3017 19.3017 k = 0.1038 0.1798-0.0000 ( 2161 PWs) bands (ev): -6.6677 -6.6677 -6.6470 -6.6470 -6.6383 -6.6383 -6.5903 -6.5903 -4.1579 -4.1579 -4.1318 -4.1318 -4.1193 -4.1193 -4.0927 -4.0927 -4.0327 -4.0327 -3.9462 -3.9462 0.3774 0.3774 4.2216 4.2216 7.9292 7.9292 13.4842 13.4842 14.3399 14.3399 16.7893 16.7893 18.1333 18.1333 19.4572 19.4572 k = 0.0984 0.1704-0.0000 ( 2161 PWs) bands (ev): -6.6682 -6.6682 -6.6488 -6.6488 -6.6395 -6.6395 -6.5903 -6.5903 -4.1586 -4.1586 -4.1315 -4.1315 -4.1189 -4.1189 -4.0964 -4.0964 -4.0373 -4.0373 -3.9446 -3.9446 0.3194 0.3194 4.1812 4.1812 7.8653 7.8653 13.6876 13.6876 14.5402 14.5402 16.9102 16.9102 18.2728 18.2728 19.6057 19.6057 k = 0.0929 0.1609-0.0000 ( 2157 PWs) bands (ev): -6.6687 -6.6687 -6.6506 -6.6506 -6.6406 -6.6406 -6.5903 -6.5903 -4.1592 -4.1592 -4.1313 -4.1313 -4.1183 -4.1183 -4.1000 -4.1000 -4.0418 -4.0418 -3.9428 -3.9428 0.2645 0.2645 4.1428 4.1428 7.8044 7.8044 13.8918 13.8918 14.7395 14.7395 17.0247 17.0247 18.4056 18.4056 19.7456 19.7456 k = 0.0874 0.1514-0.0000 ( 2157 PWs) bands (ev): -6.6692 -6.6692 -6.6523 -6.6523 -6.6418 -6.6418 -6.5903 -6.5903 -4.1597 -4.1597 -4.1311 -4.1311 -4.1177 -4.1177 -4.1036 -4.1036 -4.0462 -4.0462 -3.9410 -3.9410 0.2127 0.2127 4.1063 4.1063 7.7466 7.7466 14.0960 14.0960 14.9371 14.9371 17.1323 17.1323 18.5313 18.5313 19.8751 19.8751 k = 0.0820 0.1420-0.0000 ( 2149 PWs) bands (ev): -6.6696 -6.6696 -6.6539 -6.6539 -6.6428 -6.6428 -6.5903 -6.5903 -4.1603 -4.1603 -4.1311 -4.1311 -4.1170 -4.1170 -4.1072 -4.1072 -4.0505 -4.0505 -3.9392 -3.9392 0.1641 0.1641 4.0718 4.0718 7.6921 7.6921 14.2993 14.2993 15.1324 15.1324 17.2330 17.2330 18.6501 18.6501 19.9926 19.9926 k = 0.0765 0.1325-0.0000 ( 2149 PWs) bands (ev): -6.6701 -6.6701 -6.6555 -6.6555 -6.6439 -6.6439 -6.5903 -6.5903 -4.1607 -4.1607 -4.1311 -4.1311 -4.1163 -4.1163 -4.1105 -4.1105 -4.0546 -4.0546 -3.9373 -3.9373 0.1187 0.1187 4.0395 4.0395 7.6407 7.6407 14.5008 14.5008 15.3247 15.3247 17.3268 17.3268 18.7624 18.7624 20.0969 20.0969 k = 0.0710 0.1230-0.0000 ( 2149 PWs) bands (ev): -6.6705 -6.6705 -6.6569 -6.6569 -6.6449 -6.6449 -6.5904 -6.5904 -4.1611 -4.1611 -4.1313 -4.1313 -4.1161 -4.1161 -4.1130 -4.1130 -4.0586 -4.0586 -3.9355 -3.9355 0.0763 0.0763 4.0092 4.0092 7.5927 7.5927 14.6992 14.6992 15.5133 15.5133 17.4138 17.4138 18.8694 18.8694 20.1872 20.1872 k = 0.0656 0.1136-0.0000 ( 2147 PWs) bands (ev): -6.6709 -6.6709 -6.6583 -6.6583 -6.6459 -6.6459 -6.5904 -6.5904 -4.1614 -4.1614 -4.1316 -4.1316 -4.1179 -4.1179 -4.1133 -4.1133 -4.0624 -4.0624 -3.9337 -3.9337 0.0371 0.0371 3.9810 3.9810 7.5480 7.5480 14.8932 14.8932 15.6971 15.6971 17.4944 17.4944 18.9721 18.9721 20.2636 20.2636 k = 0.0601 0.1041-0.0000 ( 2153 PWs) bands (ev): -6.6713 -6.6713 -6.6596 -6.6596 -6.6468 -6.6468 -6.5905 -6.5905 -4.1616 -4.1616 -4.1322 -4.1322 -4.1205 -4.1205 -4.1125 -4.1125 -4.0660 -4.0660 -3.9319 -3.9319 0.0011 0.0011 3.9550 3.9550 7.5067 7.5067 15.0813 15.0813 15.8753 15.8753 17.5692 17.5692 19.0722 19.0722 20.3266 20.3266 k = 0.0546 0.0946-0.0000 ( 2157 PWs) bands (ev): -6.6716 -6.6716 -6.6608 -6.6608 -6.6477 -6.6477 -6.5906 -6.5906 -4.1617 -4.1617 -4.1331 -4.1331 -4.1228 -4.1228 -4.1114 -4.1114 -4.0695 -4.0695 -3.9303 -3.9303 -0.0318 -0.0318 3.9313 3.9313 7.4689 7.4689 15.2618 15.2618 16.0466 16.0466 17.6390 17.6390 19.1712 19.1712 20.3778 20.3778 k = 0.0492 0.0852-0.0000 ( 2161 PWs) bands (ev): -6.6720 -6.6720 -6.6619 -6.6619 -6.6485 -6.6485 -6.5906 -6.5906 -4.1617 -4.1617 -4.1344 -4.1344 -4.1247 -4.1247 -4.1102 -4.1102 -4.0728 -4.0728 -3.9287 -3.9287 -0.0616 -0.0616 3.9097 3.9097 7.4346 7.4346 15.4327 15.4327 16.2098 16.2098 17.7049 17.7049 19.2705 19.2705 20.4188 20.4188 k = 0.0437 0.0757-0.0000 ( 2153 PWs) bands (ev): -6.6723 -6.6723 -6.6629 -6.6629 -6.6492 -6.6492 -6.5907 -6.5907 -4.1616 -4.1616 -4.1360 -4.1360 -4.1261 -4.1261 -4.1089 -4.1089 -4.0759 -4.0759 -3.9273 -3.9273 -0.0882 -0.0882 3.8904 3.8904 7.4038 7.4038 15.5919 15.5919 16.3632 16.3632 17.7678 17.7678 19.3713 19.3713 20.4515 20.4515 k = 0.0383 0.0663-0.0000 ( 2149 PWs) bands (ev): -6.6726 -6.6726 -6.6638 -6.6638 -6.6499 -6.6499 -6.5907 -6.5907 -4.1614 -4.1614 -4.1378 -4.1378 -4.1271 -4.1271 -4.1076 -4.1076 -4.0789 -4.0789 -3.9260 -3.9260 -0.1116 -0.1116 3.8733 3.8733 7.3765 7.3765 15.7374 15.7374 16.5050 16.5050 17.8289 17.8289 19.4740 19.4740 20.4779 20.4779 k = 0.0328 0.0568-0.0000 ( 2153 PWs) bands (ev): -6.6729 -6.6729 -6.6645 -6.6645 -6.6505 -6.6505 -6.5908 -6.5908 -4.1611 -4.1611 -4.1398 -4.1398 -4.1278 -4.1278 -4.1062 -4.1062 -4.0817 -4.0817 -3.9248 -3.9248 -0.1320 -0.1320 3.8585 3.8585 7.3528 7.3528 15.8672 15.8672 16.6330 16.6330 17.8889 17.8889 19.5784 19.5784 20.4999 20.4999 k = 0.0273 0.0473-0.0000 ( 2149 PWs) bands (ev): -6.6731 -6.6731 -6.6651 -6.6651 -6.6510 -6.6510 -6.5908 -6.5908 -4.1607 -4.1607 -4.1417 -4.1417 -4.1283 -4.1283 -4.1048 -4.1048 -4.0843 -4.0843 -3.9238 -3.9238 -0.1492 -0.1492 3.8459 3.8459 7.3327 7.3327 15.9796 15.9796 16.7450 16.7450 17.9478 17.9478 19.6830 19.6830 20.5197 20.5197 k = 0.0219 0.0379-0.0000 ( 2155 PWs) bands (ev): -6.6733 -6.6733 -6.6656 -6.6656 -6.6514 -6.6514 -6.5909 -6.5909 -4.1603 -4.1603 -4.1434 -4.1434 -4.1287 -4.1287 -4.1033 -4.1033 -4.0867 -4.0867 -3.9230 -3.9230 -0.1633 -0.1633 3.8356 3.8356 7.3163 7.3163 16.0730 16.0730 16.8388 16.8388 18.0044 18.0044 19.7845 19.7845 20.5394 20.5394 k = 0.0164 0.0284-0.0000 ( 2161 PWs) bands (ev): -6.6735 -6.6735 -6.6660 -6.6660 -6.6517 -6.6517 -6.5909 -6.5909 -4.1598 -4.1598 -4.1450 -4.1450 -4.1289 -4.1289 -4.1019 -4.1019 -4.0889 -4.0889 -3.9223 -3.9223 -0.1742 -0.1742 3.8276 3.8276 7.3034 7.3034 16.1466 16.1466 16.9128 16.9128 18.0559 18.0559 19.8775 19.8775 20.5614 20.5614 k = 0.0109 0.0189-0.0000 ( 2165 PWs) bands (ev): -6.6736 -6.6736 -6.6663 -6.6663 -6.6520 -6.6520 -6.5909 -6.5909 -4.1594 -4.1594 -4.1462 -4.1462 -4.1291 -4.1291 -4.1004 -4.1004 -4.0909 -4.0909 -3.9218 -3.9218 -0.1820 -0.1820 3.8219 3.8219 7.2943 7.2943 16.1995 16.1995 16.9660 16.9660 18.0982 18.0982 19.9540 19.9540 20.5871 20.5871 k = 0.0055 0.0095-0.0000 ( 2169 PWs) bands (ev): -6.6737 -6.6737 -6.6665 -6.6665 -6.6521 -6.6521 -6.5909 -6.5909 -4.1591 -4.1591 -4.1470 -4.1470 -4.1292 -4.1292 -4.0991 -4.0991 -4.0925 -4.0925 -3.9216 -3.9216 -0.1867 -0.1867 3.8185 3.8185 7.2888 7.2888 16.2314 16.2314 16.9980 16.9980 18.1263 18.1263 20.0047 20.0047 20.6130 20.6130 k = 0.0000 0.0000 0.0000 ( 2165 PWs) bands (ev): -6.6737 -6.6737 -6.6665 -6.6665 -6.6522 -6.6522 -6.5909 -6.5909 -4.1589 -4.1589 -4.1473 -4.1473 -4.1293 -4.1293 -4.0986 -4.0986 -4.0932 -4.0932 -3.9215 -3.9215 -0.1883 -0.1883 3.8173 3.8173 7.2869 7.2869 16.2421 16.2421 17.0086 17.0086 18.1361 18.1361 20.0224 20.0224 20.6251 20.6251 k = 0.0000 0.0000 0.0000 ( 2165 PWs) bands (ev): -6.6737 -6.6737 -6.6665 -6.6665 -6.6522 -6.6522 -6.5909 -6.5909 -4.1589 -4.1589 -4.1473 -4.1473 -4.1293 -4.1293 -4.0986 -4.0986 -4.0932 -4.0932 -3.9215 -3.9215 -0.1883 -0.1883 3.8173 3.8173 7.2869 7.2869 16.2421 16.2421 17.0086 17.0086 18.1361 18.1361 20.0224 20.0224 20.6251 20.6251 k = 0.0000 0.0000 0.0107 ( 2171 PWs) bands (ev): -6.6737 -6.6737 -6.6665 -6.6665 -6.6522 -6.6522 -6.5910 -6.5910 -4.1596 -4.1596 -4.1465 -4.1465 -4.1296 -4.1296 -4.0984 -4.0984 -4.0929 -4.0929 -3.9216 -3.9216 -0.1868 -0.1868 3.8083 3.8083 7.2990 7.2990 16.2433 16.2433 17.0041 17.0041 18.1375 18.1375 20.0214 20.0214 20.6027 20.6027 k = 0.0000 0.0000 0.0215 ( 2171 PWs) bands (ev): -6.6735 -6.6735 -6.6665 -6.6665 -6.6522 -6.6522 -6.5912 -6.5912 -4.1614 -4.1614 -4.1445 -4.1445 -4.1304 -4.1304 -4.0980 -4.0980 -4.0922 -4.0922 -3.9220 -3.9220 -0.1822 -0.1822 3.7818 3.7818 7.3347 7.3347 16.2469 16.2469 16.9905 16.9905 18.1415 18.1415 20.0185 20.0185 20.5376 20.5376 k = 0.0000 0.0000 0.0322 ( 2159 PWs) bands (ev): -6.6731 -6.6731 -6.6665 -6.6665 -6.6523 -6.6523 -6.5914 -6.5914 -4.1635 -4.1635 -4.1419 -4.1419 -4.1318 -4.1318 -4.0974 -4.0974 -4.0910 -4.0910 -3.9226 -3.9226 -0.1747 -0.1747 3.7387 3.7387 7.3931 7.3931 16.2529 16.2529 16.9677 16.9677 18.1483 18.1483 20.0136 20.0136 20.4351 20.4351 k = 0.0000 0.0000 0.0429 ( 2159 PWs) bands (ev): -6.6727 -6.6727 -6.6664 -6.6664 -6.6524 -6.6524 -6.5918 -6.5918 -4.1658 -4.1658 -4.1390 -4.1390 -4.1336 -4.1336 -4.0964 -4.0964 -4.0895 -4.0895 -3.9235 -3.9235 -0.1641 -0.1641 3.6806 3.6806 7.4724 7.4724 16.2612 16.2612 16.9351 16.9351 18.1578 18.1578 20.0066 20.0066 20.3020 20.3020 k = 0.0000 0.0000 0.0537 ( 2153 PWs) bands (ev): -6.6721 -6.6721 -6.6664 -6.6664 -6.6525 -6.6525 -6.5923 -6.5923 -4.1681 -4.1681 -4.1359 -4.1359 -4.1357 -4.1357 -4.0953 -4.0953 -4.0878 -4.0878 -3.9246 -3.9246 -0.1504 -0.1504 3.6096 3.6096 7.5709 7.5709 16.2720 16.2720 16.8925 16.8925 18.1699 18.1699 19.9976 19.9976 20.1457 20.1457 k = 0.0000 0.0000 0.0644 ( 2153 PWs) bands (ev): -6.6713 -6.6713 -6.6663 -6.6663 -6.6526 -6.6526 -6.5929 -6.5929 -4.1704 -4.1704 -4.1380 -4.1380 -4.1326 -4.1326 -4.0938 -4.0938 -4.0859 -4.0859 -3.9260 -3.9260 -0.1338 -0.1338 3.5275 3.5275 7.6865 7.6865 16.2851 16.2851 16.8391 16.8391 18.1846 18.1846 19.9731 19.9731 19.9865 19.9865 k = 0.0000 0.0000 0.0751 ( 2141 PWs) bands (ev): -6.6705 -6.6705 -6.6662 -6.6662 -6.6528 -6.6528 -6.5936 -6.5936 -4.1726 -4.1726 -4.1405 -4.1405 -4.1293 -4.1293 -4.0921 -4.0921 -4.0840 -4.0840 -3.9276 -3.9276 -0.1141 -0.1141 3.4363 3.4363 7.8172 7.8172 16.3006 16.3006 16.7742 16.7742 18.2020 18.2020 19.7904 19.7904 19.9732 19.9732 k = 0.0000 0.0000 0.0859 ( 2141 PWs) bands (ev): -6.6695 -6.6695 -6.6661 -6.6661 -6.6530 -6.6530 -6.5944 -6.5944 -4.1747 -4.1747 -4.1431 -4.1431 -4.1260 -4.1260 -4.0902 -4.0902 -4.0820 -4.0820 -3.9295 -3.9295 -0.0914 -0.0914 3.3378 3.3378 7.9612 7.9612 16.3184 16.3184 16.6970 16.6970 18.2220 18.2220 19.6026 19.6026 19.9577 19.9577 k = 0.0000 0.0000 0.0966 ( 2141 PWs) bands (ev): -6.6684 -6.6684 -6.6660 -6.6660 -6.6532 -6.6532 -6.5953 -6.5953 -4.1767 -4.1767 -4.1458 -4.1458 -4.1226 -4.1226 -4.0880 -4.0880 -4.0801 -4.0801 -3.9316 -3.9316 -0.0656 -0.0656 3.2336 3.2336 8.1170 8.1170 16.3385 16.3385 16.6066 16.6066 18.2445 18.2445 19.4143 19.4143 19.9398 19.9398 k = 0.0000 0.0000 0.1073 ( 2147 PWs) bands (ev): -6.6672 -6.6672 -6.6658 -6.6658 -6.6535 -6.6535 -6.5963 -6.5963 -4.1786 -4.1786 -4.1485 -4.1485 -4.1192 -4.1192 -4.0857 -4.0857 -4.0782 -4.0782 -3.9339 -3.9339 -0.0368 -0.0368 3.1251 3.1251 8.2831 8.2831 16.3609 16.3609 16.5021 16.5021 18.2696 18.2696 19.2289 19.2289 19.9196 19.9196 k = 0.0000 0.0000 0.1181 ( 2153 PWs) bands (ev): -6.6659 -6.6659 -6.6657 -6.6657 -6.6537 -6.6537 -6.5974 -6.5974 -4.1804 -4.1804 -4.1512 -4.1512 -4.1158 -4.1158 -4.0830 -4.0830 -4.0763 -4.0763 -3.9365 -3.9365 -0.0049 -0.0049 3.0134 3.0134 8.4584 8.4584 16.3829 16.3829 16.3856 16.3856 18.2971 18.2971 19.0495 19.0495 19.8969 19.8969 k = 0.0000 0.0000 0.1288 ( 2153 PWs) bands (ev): -6.6655 -6.6655 -6.6645 -6.6645 -6.6540 -6.6540 -6.5986 -6.5986 -4.1820 -4.1820 -4.1539 -4.1539 -4.1125 -4.1125 -4.0802 -4.0802 -4.0746 -4.0746 -3.9392 -3.9392 0.0301 0.0301 2.8995 2.8995 8.6418 8.6418 16.2484 16.2484 16.4125 16.4125 18.3270 18.3270 18.8783 18.8783 19.8717 19.8717 k = 0.0000 0.0000 0.1395 ( 2153 PWs) bands (ev): -6.6653 -6.6653 -6.6629 -6.6629 -6.6543 -6.6543 -6.5998 -6.5998 -4.1834 -4.1834 -4.1566 -4.1566 -4.1091 -4.1091 -4.0772 -4.0772 -4.0729 -4.0729 -3.9422 -3.9422 0.0681 0.0681 2.7843 2.7843 8.8324 8.8324 16.0987 16.0987 16.4416 16.4416 18.3592 18.3592 18.7167 18.7167 19.8440 19.8440 k = 0.0000 0.0000 0.1503 ( 2153 PWs) bands (ev): -6.6651 -6.6651 -6.6613 -6.6613 -6.6546 -6.6546 -6.6012 -6.6012 -4.1848 -4.1848 -4.1593 -4.1593 -4.1058 -4.1058 -4.0739 -4.0739 -4.0714 -4.0714 -3.9453 -3.9453 0.1091 0.1091 2.6684 2.6684 9.0296 9.0296 15.9340 15.9340 16.4730 16.4730 18.3938 18.3938 18.5655 18.5655 19.8137 19.8137 k = 0.0000 0.0000 0.1610 ( 2153 PWs) bands (ev): -6.6649 -6.6649 -6.6596 -6.6596 -6.6549 -6.6549 -6.6027 -6.6027 -4.1860 -4.1860 -4.1618 -4.1618 -4.1026 -4.1026 -4.0705 -4.0705 -4.0701 -4.0701 -3.9487 -3.9487 0.1533 0.1533 2.5524 2.5524 9.2327 9.2327 15.7551 15.7551 16.5065 16.5065 18.4251 18.4251 18.4305 18.4305 19.7809 19.7809 k = 0.0000 0.0000 0.1717 ( 2153 PWs) bands (ev): -6.6647 -6.6647 -6.6578 -6.6578 -6.6553 -6.6553 -6.6042 -6.6042 -4.1870 -4.1870 -4.1644 -4.1644 -4.0994 -4.0994 -4.0689 -4.0689 -4.0669 -4.0669 -3.9522 -3.9522 0.2005 0.2005 2.4368 2.4368 9.4413 9.4413 15.5631 15.5631 16.5421 16.5421 18.2952 18.2952 18.4694 18.4694 19.7456 19.7456 k = 0.0000 0.0000 0.1825 ( 2153 PWs) bands (ev): -6.6645 -6.6645 -6.6560 -6.6560 -6.6556 -6.6556 -6.6059 -6.6059 -4.1879 -4.1879 -4.1668 -4.1668 -4.0963 -4.0963 -4.0678 -4.0678 -4.0631 -4.0631 -3.9559 -3.9559 0.2508 0.2508 2.3219 2.3219 9.6547 9.6547 15.3594 15.3594 16.5798 16.5798 18.1750 18.1750 18.5103 18.5103 19.7078 19.7078 k = 0.0000 0.0000 0.1932 ( 2153 PWs) bands (ev): -6.6642 -6.6642 -6.6560 -6.6560 -6.6540 -6.6540 -6.6076 -6.6076 -4.1887 -4.1887 -4.1691 -4.1691 -4.0933 -4.0933 -4.0669 -4.0669 -4.0592 -4.0592 -3.9598 -3.9598 0.3041 0.3041 2.2082 2.2082 9.8727 9.8727 15.1454 15.1454 16.6196 16.6196 18.0636 18.0636 18.5531 18.5531 19.6676 19.6676 k = 0.0000 0.0000 0.2039 ( 2147 PWs) bands (ev): -6.6639 -6.6639 -6.6564 -6.6564 -6.6520 -6.6520 -6.6093 -6.6093 -4.1893 -4.1893 -4.1714 -4.1714 -4.0905 -4.0905 -4.0662 -4.0662 -4.0551 -4.0551 -3.9638 -3.9638 0.3606 0.3606 2.0960 2.0960 10.0948 10.0948 14.9228 14.9228 16.6614 16.6614 17.9601 17.9601 18.5978 18.5978 19.6252 19.6252 k = 0.0000 0.0000 0.2147 ( 2147 PWs) bands (ev): -6.6636 -6.6636 -6.6568 -6.6568 -6.6500 -6.6500 -6.6112 -6.6112 -4.1898 -4.1898 -4.1735 -4.1735 -4.0877 -4.0877 -4.0656 -4.0656 -4.0509 -4.0509 -3.9679 -3.9679 0.4200 0.4200 1.9853 1.9853 10.3208 10.3208 14.6930 14.6930 16.7052 16.7052 17.8635 17.8635 18.6442 18.6442 19.5806 19.5806 k = 0.0000 0.0000 0.2254 ( 2135 PWs) bands (ev): -6.6633 -6.6633 -6.6572 -6.6572 -6.6479 -6.6479 -6.6131 -6.6131 -4.1901 -4.1901 -4.1755 -4.1755 -4.0850 -4.0850 -4.0653 -4.0653 -4.0465 -4.0465 -3.9722 -3.9722 0.4826 0.4826 1.8766 1.8766 10.5503 10.5503 14.4574 14.4574 16.7510 16.7510 17.7728 17.7728 18.6921 18.6921 19.5340 19.5340 k = 0.0000 0.0000 0.2361 ( 2129 PWs) bands (ev): -6.6630 -6.6630 -6.6576 -6.6576 -6.6457 -6.6457 -6.6151 -6.6151 -4.1902 -4.1902 -4.1775 -4.1775 -4.0825 -4.0825 -4.0651 -4.0651 -4.0421 -4.0421 -3.9766 -3.9766 0.5481 0.5481 1.7699 1.7699 10.7832 10.7832 14.2172 14.2172 16.7987 16.7987 17.6873 17.6873 18.7416 18.7416 19.4856 19.4856 k = 0.0000 0.0000 0.2469 ( 2117 PWs) bands (ev): -6.6627 -6.6627 -6.6580 -6.6580 -6.6435 -6.6435 -6.6171 -6.6171 -4.1903 -4.1903 -4.1793 -4.1793 -4.0801 -4.0801 -4.0651 -4.0651 -4.0376 -4.0376 -3.9810 -3.9810 0.6167 0.6167 1.6654 1.6654 11.0190 11.0190 13.9735 13.9735 16.8483 16.8483 17.6062 17.6062 18.7923 18.7923 19.4356 19.4356 k = 0.0000 0.0000 0.2576 ( 2117 PWs) bands (ev): -6.6623 -6.6623 -6.6584 -6.6584 -6.6413 -6.6413 -6.6192 -6.6192 -4.1901 -4.1901 -4.1809 -4.1809 -4.0779 -4.0779 -4.0654 -4.0654 -4.0330 -4.0330 -3.9856 -3.9856 0.6884 0.6884 1.5632 1.5632 11.2575 11.2575 13.7271 13.7271 16.8999 16.8999 17.5289 17.5289 18.8442 18.8442 19.3843 19.3843 k = 0.0000 0.0000 0.2683 ( 2105 PWs) bands (ev): -6.6620 -6.6620 -6.6588 -6.6588 -6.6391 -6.6391 -6.6213 -6.6213 -4.1898 -4.1898 -4.1825 -4.1825 -4.0758 -4.0758 -4.0658 -4.0658 -4.0283 -4.0283 -3.9902 -3.9902 0.7630 0.7630 1.4635 1.4635 11.4986 11.4986 13.4791 13.4791 16.9534 16.9534 17.4550 17.4550 18.8970 18.8970 19.3317 19.3317 k = 0.0000 0.0000 0.2791 ( 2111 PWs) bands (ev): -6.6616 -6.6616 -6.6592 -6.6592 -6.6368 -6.6368 -6.6234 -6.6234 -4.1894 -4.1894 -4.1839 -4.1839 -4.0740 -4.0740 -4.0664 -4.0664 -4.0236 -4.0236 -3.9949 -3.9949 0.8405 0.8405 1.3663 1.3663 11.7418 11.7418 13.2299 13.2299 17.0087 17.0087 17.3841 17.3841 18.9507 18.9507 19.2782 19.2782 k = 0.0000 0.0000 0.2898 ( 2111 PWs) bands (ev): -6.6612 -6.6612 -6.6596 -6.6596 -6.6346 -6.6346 -6.6256 -6.6256 -4.1889 -4.1889 -4.1852 -4.1852 -4.0722 -4.0722 -4.0672 -4.0672 -4.0188 -4.0188 -3.9997 -3.9997 0.9211 0.9211 1.2717 1.2717 11.9870 11.9870 12.9803 12.9803 17.0661 17.0661 17.3159 17.3159 19.0050 19.0050 19.2241 19.2241 k = 0.0000 0.0000 0.3005 ( 2112 PWs) bands (ev): -6.6608 -6.6608 -6.6601 -6.6601 -6.6323 -6.6323 -6.6279 -6.6279 -4.1882 -4.1882 -4.1863 -4.1863 -4.0707 -4.0707 -4.0681 -4.0681 -4.0140 -4.0140 -4.0044 -4.0044 1.0045 1.0045 1.1799 1.1799 12.2337 12.2337 12.7308 12.7308 17.1254 17.1254 17.2502 17.2502 19.0596 19.0596 19.1694 19.1694 k = 0.0000 0.0000 0.3113 ( 2112 PWs) bands (ev): -6.6605 -6.6605 -6.6605 -6.6605 -6.6301 -6.6301 -6.6301 -6.6301 -4.1873 -4.1873 -4.1873 -4.1873 -4.0693 -4.0693 -4.0693 -4.0693 -4.0092 -4.0092 -4.0092 -4.0092 1.0908 1.0908 1.0908 1.0908 12.4818 12.4818 12.4818 12.4818 17.1867 17.1867 17.1867 17.1867 19.1145 19.1145 19.1145 19.1145 k = 0.0000 0.0000 0.3113 ( 2112 PWs) bands (ev): -6.6605 -6.6605 -6.6605 -6.6605 -6.6301 -6.6301 -6.6301 -6.6301 -4.1873 -4.1873 -4.1873 -4.1873 -4.0693 -4.0693 -4.0693 -4.0693 -4.0092 -4.0092 -4.0092 -4.0092 1.0908 1.0908 1.0908 1.0908 12.4818 12.4818 12.4818 12.4818 17.1867 17.1867 17.1867 17.1867 19.1145 19.1145 19.1145 19.1145 k = 0.0094 0.0054 0.3113 ( 2112 PWs) bands (ev): -6.6604 -6.6604 -6.6604 -6.6604 -6.6301 -6.6301 -6.6301 -6.6301 -4.1872 -4.1872 -4.1872 -4.1872 -4.0693 -4.0693 -4.0693 -4.0693 -4.0092 -4.0092 -4.0092 -4.0092 1.0923 1.0923 1.0923 1.0923 12.4823 12.4823 12.4823 12.4823 17.1780 17.1780 17.1780 17.1780 19.0988 19.0988 19.0988 19.0988 k = 0.0189 0.0109 0.3113 ( 2116 PWs) bands (ev): -6.6603 -6.6603 -6.6603 -6.6603 -6.6300 -6.6300 -6.6300 -6.6300 -4.1869 -4.1869 -4.1869 -4.1869 -4.0693 -4.0693 -4.0693 -4.0693 -4.0093 -4.0093 -4.0093 -4.0093 1.0969 1.0969 1.0969 1.0969 12.4839 12.4839 12.4839 12.4839 17.1517 17.1517 17.1517 17.1517 19.0531 19.0531 19.0531 19.0531 k = 0.0283 0.0163 0.3113 ( 2120 PWs) bands (ev): -6.6601 -6.6601 -6.6601 -6.6601 -6.6298 -6.6298 -6.6298 -6.6298 -4.1865 -4.1865 -4.1865 -4.1865 -4.0693 -4.0693 -4.0693 -4.0693 -4.0093 -4.0093 -4.0093 -4.0093 1.1046 1.1046 1.1046 1.1046 12.4865 12.4865 12.4865 12.4865 17.1080 17.1080 17.1080 17.1080 18.9811 18.9811 18.9811 18.9811 k = 0.0377 0.0218 0.3113 ( 2120 PWs) bands (ev): -6.6599 -6.6599 -6.6599 -6.6599 -6.6296 -6.6296 -6.6296 -6.6296 -4.1858 -4.1858 -4.1858 -4.1858 -4.0692 -4.0692 -4.0692 -4.0692 -4.0094 -4.0094 -4.0094 -4.0094 1.1153 1.1153 1.1153 1.1153 12.4900 12.4900 12.4900 12.4900 17.0470 17.0470 17.0470 17.0470 18.8883 18.8883 18.8883 18.8883 k = 0.0472 0.0272 0.3113 ( 2124 PWs) bands (ev): -6.6596 -6.6596 -6.6596 -6.6596 -6.6294 -6.6294 -6.6294 -6.6294 -4.1850 -4.1850 -4.1850 -4.1850 -4.0692 -4.0692 -4.0692 -4.0692 -4.0095 -4.0095 -4.0095 -4.0095 1.1291 1.1291 1.1291 1.1291 12.4943 12.4943 12.4943 12.4943 16.9690 16.9690 16.9690 16.9690 18.7803 18.7803 18.7803 18.7803 k = 0.0566 0.0327 0.3113 ( 2128 PWs) bands (ev): -6.6592 -6.6592 -6.6592 -6.6592 -6.6291 -6.6291 -6.6291 -6.6291 -4.1841 -4.1841 -4.1841 -4.1841 -4.0691 -4.0691 -4.0691 -4.0691 -4.0095 -4.0095 -4.0095 -4.0095 1.1460 1.1460 1.1460 1.1460 12.4992 12.4992 12.4992 12.4992 16.8745 16.8745 16.8745 16.8745 18.6620 18.6620 18.6620 18.6620 k = 0.0660 0.0381 0.3113 ( 2124 PWs) bands (ev): -6.6588 -6.6588 -6.6588 -6.6588 -6.6287 -6.6287 -6.6287 -6.6287 -4.1829 -4.1829 -4.1829 -4.1829 -4.0691 -4.0691 -4.0691 -4.0691 -4.0096 -4.0096 -4.0096 -4.0096 1.1660 1.1660 1.1660 1.1660 12.5045 12.5045 12.5045 12.5045 16.7642 16.7642 16.7642 16.7642 18.5380 18.5380 18.5380 18.5380 k = 0.0755 0.0436 0.3113 ( 2126 PWs) bands (ev): -6.6583 -6.6583 -6.6583 -6.6583 -6.6282 -6.6282 -6.6282 -6.6282 -4.1817 -4.1817 -4.1817 -4.1817 -4.0691 -4.0691 -4.0691 -4.0691 -4.0095 -4.0095 -4.0095 -4.0095 1.1890 1.1890 1.1890 1.1890 12.5099 12.5099 12.5099 12.5099 16.6391 16.6391 16.6391 16.6391 18.4115 18.4115 18.4115 18.4115 k = 0.0849 0.0490 0.3113 ( 2128 PWs) bands (ev): -6.6578 -6.6578 -6.6578 -6.6578 -6.6277 -6.6277 -6.6277 -6.6277 -4.1803 -4.1803 -4.1803 -4.1803 -4.0691 -4.0691 -4.0691 -4.0691 -4.0094 -4.0094 -4.0094 -4.0094 1.2150 1.2150 1.2150 1.2150 12.5151 12.5151 12.5151 12.5151 16.5007 16.5007 16.5007 16.5007 18.2849 18.2849 18.2849 18.2849 k = 0.0943 0.0545 0.3113 ( 2136 PWs) bands (ev): -6.6573 -6.6573 -6.6573 -6.6573 -6.6271 -6.6271 -6.6271 -6.6271 -4.1788 -4.1788 -4.1788 -4.1788 -4.0692 -4.0692 -4.0692 -4.0692 -4.0092 -4.0092 -4.0092 -4.0092 1.2441 1.2441 1.2441 1.2441 12.5196 12.5196 12.5196 12.5196 16.3509 16.3509 16.3509 16.3509 18.1598 18.1598 18.1598 18.1598 k = 0.1038 0.0599 0.3113 ( 2132 PWs) bands (ev): -6.6568 -6.6568 -6.6568 -6.6568 -6.6265 -6.6265 -6.6265 -6.6265 -4.1772 -4.1772 -4.1772 -4.1772 -4.0694 -4.0694 -4.0694 -4.0694 -4.0088 -4.0088 -4.0088 -4.0088 1.2763 1.2763 1.2763 1.2763 12.5230 12.5230 12.5230 12.5230 16.1916 16.1916 16.1916 16.1916 18.0371 18.0371 18.0371 18.0371 k = 0.1132 0.0654 0.3113 ( 2140 PWs) bands (ev): -6.6562 -6.6562 -6.6562 -6.6562 -6.6258 -6.6258 -6.6258 -6.6258 -4.1755 -4.1755 -4.1755 -4.1755 -4.0696 -4.0696 -4.0696 -4.0696 -4.0083 -4.0083 -4.0083 -4.0083 1.3115 1.3115 1.3115 1.3115 12.5244 12.5244 12.5244 12.5244 16.0251 16.0251 16.0251 16.0251 17.9173 17.9173 17.9173 17.9173 k = 0.1226 0.0708 0.3113 ( 2144 PWs) bands (ev): -6.6556 -6.6556 -6.6556 -6.6556 -6.6250 -6.6250 -6.6250 -6.6250 -4.1738 -4.1738 -4.1738 -4.1738 -4.0699 -4.0699 -4.0699 -4.0699 -4.0076 -4.0076 -4.0076 -4.0076 1.3497 1.3497 1.3497 1.3497 12.5232 12.5232 12.5232 12.5232 15.8538 15.8538 15.8538 15.8538 17.8006 17.8006 17.8006 17.8006 k = 0.1321 0.0763 0.3113 ( 2142 PWs) bands (ev): -6.6550 -6.6550 -6.6550 -6.6550 -6.6242 -6.6242 -6.6242 -6.6242 -4.1720 -4.1720 -4.1720 -4.1720 -4.0704 -4.0704 -4.0704 -4.0704 -4.0067 -4.0067 -4.0067 -4.0067 1.3910 1.3910 1.3910 1.3910 12.5182 12.5182 12.5182 12.5182 15.6802 15.6802 15.6802 15.6802 17.6870 17.6870 17.6870 17.6870 k = 0.1415 0.0817 0.3113 ( 2134 PWs) bands (ev): -6.6544 -6.6544 -6.6544 -6.6544 -6.6233 -6.6233 -6.6233 -6.6233 -4.1702 -4.1702 -4.1702 -4.1702 -4.0709 -4.0709 -4.0709 -4.0709 -4.0055 -4.0055 -4.0055 -4.0055 1.4352 1.4352 1.4352 1.4352 12.5083 12.5083 12.5083 12.5083 15.5071 15.5071 15.5071 15.5071 17.5763 17.5763 17.5763 17.5763 k = 0.1509 0.0871 0.3113 ( 2134 PWs) bands (ev): -6.6539 -6.6539 -6.6539 -6.6539 -6.6223 -6.6223 -6.6223 -6.6223 -4.1684 -4.1684 -4.1684 -4.1684 -4.0715 -4.0715 -4.0715 -4.0715 -4.0041 -4.0041 -4.0041 -4.0041 1.4825 1.4825 1.4825 1.4825 12.4921 12.4921 12.4921 12.4921 15.3370 15.3370 15.3370 15.3370 17.4684 17.4684 17.4684 17.4684 k = 0.1604 0.0926 0.3113 ( 2126 PWs) bands (ev): -6.6533 -6.6533 -6.6533 -6.6533 -6.6213 -6.6213 -6.6213 -6.6213 -4.1666 -4.1666 -4.1666 -4.1666 -4.0723 -4.0723 -4.0723 -4.0723 -4.0024 -4.0024 -4.0024 -4.0024 1.5327 1.5327 1.5327 1.5327 12.4677 12.4677 12.4677 12.4677 15.1727 15.1727 15.1727 15.1727 17.3633 17.3633 17.3633 17.3633 k = 0.1698 0.0980 0.3113 ( 2136 PWs) bands (ev): -6.6528 -6.6528 -6.6528 -6.6528 -6.6202 -6.6202 -6.6202 -6.6202 -4.1648 -4.1648 -4.1648 -4.1648 -4.0731 -4.0731 -4.0731 -4.0731 -4.0004 -4.0004 -4.0004 -4.0004 1.5859 1.5859 1.5859 1.5859 12.4335 12.4335 12.4335 12.4335 15.0171 15.0171 15.0171 15.0171 17.2608 17.2608 17.2608 17.2608 k = 0.1792 0.1035 0.3113 ( 2140 PWs) bands (ev): -6.6523 -6.6523 -6.6523 -6.6523 -6.6191 -6.6191 -6.6191 -6.6191 -4.1631 -4.1631 -4.1631 -4.1631 -4.0741 -4.0741 -4.0741 -4.0741 -3.9982 -3.9982 -3.9982 -3.9982 1.6420 1.6420 1.6420 1.6420 12.3872 12.3872 12.3872 12.3872 14.8728 14.8728 14.8728 14.8728 17.1610 17.1610 17.1610 17.1610 k = 0.1887 0.1089 0.3113 ( 2148 PWs) bands (ev): -6.6518 -6.6518 -6.6518 -6.6518 -6.6179 -6.6179 -6.6179 -6.6179 -4.1615 -4.1615 -4.1615 -4.1615 -4.0751 -4.0751 -4.0751 -4.0751 -3.9957 -3.9957 -3.9957 -3.9957 1.7011 1.7011 1.7011 1.7011 12.3271 12.3271 12.3271 12.3271 14.7426 14.7426 14.7426 14.7426 17.0639 17.0639 17.0639 17.0639 k = 0.1981 0.1144 0.3113 ( 2146 PWs) bands (ev): -6.6514 -6.6514 -6.6514 -6.6514 -6.6167 -6.6167 -6.6167 -6.6167 -4.1600 -4.1600 -4.1600 -4.1600 -4.0761 -4.0761 -4.0761 -4.0761 -3.9930 -3.9930 -3.9930 -3.9930 1.7630 1.7630 1.7630 1.7630 12.2515 12.2515 12.2515 12.2515 14.6284 14.6284 14.6284 14.6284 16.9694 16.9694 16.9694 16.9694 k = 0.2075 0.1198 0.3113 ( 2150 PWs) bands (ev): -6.6510 -6.6510 -6.6510 -6.6510 -6.6154 -6.6154 -6.6154 -6.6154 -4.1586 -4.1586 -4.1586 -4.1586 -4.0772 -4.0772 -4.0772 -4.0772 -3.9900 -3.9900 -3.9900 -3.9900 1.8278 1.8278 1.8278 1.8278 12.1594 12.1594 12.1594 12.1594 14.5317 14.5317 14.5317 14.5317 16.8777 16.8777 16.8777 16.8777 k = 0.2170 0.1253 0.3113 ( 2152 PWs) bands (ev): -6.6506 -6.6506 -6.6506 -6.6506 -6.6141 -6.6141 -6.6141 -6.6141 -4.1574 -4.1574 -4.1574 -4.1574 -4.0782 -4.0782 -4.0782 -4.0782 -3.9868 -3.9868 -3.9868 -3.9868 1.8955 1.8955 1.8955 1.8955 12.0507 12.0507 12.0507 12.0507 14.4530 14.4530 14.4530 14.4530 16.7890 16.7890 16.7890 16.7890 k = 0.2264 0.1307 0.3113 ( 2148 PWs) bands (ev): -6.6502 -6.6502 -6.6502 -6.6502 -6.6128 -6.6128 -6.6128 -6.6128 -4.1563 -4.1563 -4.1563 -4.1563 -4.0793 -4.0793 -4.0793 -4.0793 -3.9834 -3.9834 -3.9834 -3.9834 1.9659 1.9659 1.9659 1.9659 11.9260 11.9260 11.9260 11.9260 14.3919 14.3919 14.3919 14.3919 16.7032 16.7032 16.7032 16.7032 k = 0.2358 0.1362 0.3113 ( 2148 PWs) bands (ev): -6.6499 -6.6499 -6.6499 -6.6499 -6.6115 -6.6115 -6.6115 -6.6115 -4.1553 -4.1553 -4.1553 -4.1553 -4.0802 -4.0802 -4.0802 -4.0802 -3.9798 -3.9798 -3.9798 -3.9798 2.0390 2.0390 2.0390 2.0390 11.7868 11.7868 11.7868 11.7868 14.3472 14.3472 14.3472 14.3472 16.6207 16.6207 16.6207 16.6207 k = 0.2453 0.1416 0.3113 ( 2144 PWs) bands (ev): -6.6496 -6.6496 -6.6496 -6.6496 -6.6102 -6.6102 -6.6102 -6.6102 -4.1546 -4.1546 -4.1546 -4.1546 -4.0811 -4.0811 -4.0811 -4.0811 -3.9761 -3.9761 -3.9761 -3.9761 2.1148 2.1148 2.1148 2.1148 11.6348 11.6348 11.6348 11.6348 14.3172 14.3172 14.3172 14.3172 16.5416 16.5416 16.5416 16.5416 k = 0.2547 0.1471 0.3113 ( 2144 PWs) bands (ev): -6.6494 -6.6494 -6.6494 -6.6494 -6.6088 -6.6088 -6.6088 -6.6088 -4.1540 -4.1540 -4.1540 -4.1540 -4.0819 -4.0819 -4.0819 -4.0819 -3.9722 -3.9722 -3.9722 -3.9722 2.1932 2.1932 2.1932 2.1932 11.4723 11.4723 11.4723 11.4723 14.2998 14.2998 14.2998 14.2998 16.4661 16.4661 16.4661 16.4661 k = 0.2642 0.1525 0.3113 ( 2144 PWs) bands (ev): -6.6492 -6.6492 -6.6492 -6.6492 -6.6075 -6.6075 -6.6075 -6.6075 -4.1537 -4.1537 -4.1537 -4.1537 -4.0825 -4.0825 -4.0825 -4.0825 -3.9682 -3.9682 -3.9682 -3.9682 2.2741 2.2741 2.2741 2.2741 11.3012 11.3012 11.3012 11.3012 14.2930 14.2930 14.2930 14.2930 16.3944 16.3944 16.3944 16.3944 k = 0.2736 0.1580 0.3113 ( 2144 PWs) bands (ev): -6.6490 -6.6490 -6.6490 -6.6490 -6.6062 -6.6062 -6.6062 -6.6062 -4.1535 -4.1535 -4.1535 -4.1535 -4.0831 -4.0831 -4.0831 -4.0831 -3.9641 -3.9641 -3.9641 -3.9641 2.3575 2.3575 2.3575 2.3575 11.1235 11.1235 11.1235 11.1235 14.2948 14.2948 14.2948 14.2948 16.3267 16.3267 16.3267 16.3267 k = 0.2830 0.1634 0.3113 ( 2152 PWs) bands (ev): -6.6488 -6.6488 -6.6488 -6.6488 -6.6049 -6.6049 -6.6049 -6.6049 -4.1536 -4.1536 -4.1536 -4.1536 -4.0834 -4.0834 -4.0834 -4.0834 -3.9599 -3.9599 -3.9599 -3.9599 2.4432 2.4432 2.4432 2.4432 10.9409 10.9409 10.9409 10.9409 14.3034 14.3034 14.3034 14.3034 16.2634 16.2634 16.2634 16.2634 k = 0.2925 0.1688 0.3113 ( 2152 PWs) bands (ev): -6.6487 -6.6487 -6.6487 -6.6487 -6.6036 -6.6036 -6.6036 -6.6036 -4.1538 -4.1538 -4.1538 -4.1538 -4.0837 -4.0837 -4.0837 -4.0837 -3.9557 -3.9557 -3.9557 -3.9557 2.5312 2.5312 2.5312 2.5312 10.7551 10.7551 10.7551 10.7551 14.3172 14.3172 14.3172 14.3172 16.2047 16.2047 16.2047 16.2047 k = 0.3019 0.1743 0.3113 ( 2152 PWs) bands (ev): -6.6486 -6.6486 -6.6486 -6.6486 -6.6024 -6.6024 -6.6024 -6.6024 -4.1542 -4.1542 -4.1542 -4.1542 -4.0837 -4.0837 -4.0837 -4.0837 -3.9515 -3.9515 -3.9515 -3.9515 2.6212 2.6212 2.6212 2.6212 10.5672 10.5672 10.5672 10.5672 14.3348 14.3348 14.3348 14.3348 16.1509 16.1509 16.1509 16.1509 k = 0.3113 0.1797 0.3113 ( 2144 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.6012 -6.6012 -6.6012 -6.6012 -4.1548 -4.1548 -4.1548 -4.1548 -4.0837 -4.0837 -4.0837 -4.0837 -3.9473 -3.9473 -3.9473 -3.9473 2.7132 2.7132 2.7132 2.7132 10.3784 10.3784 10.3784 10.3784 14.3548 14.3548 14.3548 14.3548 16.1022 16.1022 16.1022 16.1022 k = 0.3208 0.1852 0.3113 ( 2148 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.6000 -6.6000 -6.6000 -6.6000 -4.1555 -4.1555 -4.1555 -4.1555 -4.0835 -4.0835 -4.0835 -4.0835 -3.9431 -3.9431 -3.9431 -3.9431 2.8069 2.8069 2.8069 2.8069 10.1897 10.1897 10.1897 10.1897 14.3763 14.3763 14.3763 14.3763 16.0590 16.0590 16.0590 16.0590 k = 0.3302 0.1906 0.3113 ( 2148 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.5989 -6.5989 -6.5989 -6.5989 -4.1564 -4.1564 -4.1564 -4.1564 -4.0832 -4.0832 -4.0832 -4.0832 -3.9390 -3.9390 -3.9390 -3.9390 2.9022 2.9022 2.9022 2.9022 10.0019 10.0019 10.0019 10.0019 14.3980 14.3980 14.3980 14.3980 16.0214 16.0214 16.0214 16.0214 k = 0.3396 0.1961 0.3113 ( 2152 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5978 -6.5978 -6.5978 -6.5978 -4.1573 -4.1573 -4.1573 -4.1573 -4.0828 -4.0828 -4.0828 -4.0828 -3.9350 -3.9350 -3.9350 -3.9350 2.9988 2.9988 2.9988 2.9988 9.8160 9.8160 9.8160 9.8160 14.4194 14.4194 14.4194 14.4194 15.9897 15.9897 15.9897 15.9897 k = 0.3491 0.2015 0.3113 ( 2152 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5968 -6.5968 -6.5968 -6.5968 -4.1583 -4.1583 -4.1583 -4.1583 -4.0823 -4.0823 -4.0823 -4.0823 -3.9311 -3.9311 -3.9311 -3.9311 3.0965 3.0965 3.0965 3.0965 9.6325 9.6325 9.6325 9.6325 14.4395 14.4395 14.4395 14.4395 15.9640 15.9640 15.9640 15.9640 k = 0.3585 0.2070 0.3113 ( 2152 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5958 -6.5958 -6.5958 -6.5958 -4.1594 -4.1594 -4.1594 -4.1594 -4.0817 -4.0817 -4.0817 -4.0817 -3.9273 -3.9273 -3.9273 -3.9273 3.1948 3.1948 3.1948 3.1948 9.4522 9.4522 9.4522 9.4522 14.4578 14.4578 14.4578 14.4578 15.9442 15.9442 15.9442 15.9442 k = 0.3679 0.2124 0.3113 ( 2152 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5949 -6.5949 -6.5949 -6.5949 -4.1605 -4.1605 -4.1605 -4.1605 -4.0812 -4.0812 -4.0812 -4.0812 -3.9236 -3.9236 -3.9236 -3.9236 3.2934 3.2934 3.2934 3.2934 9.2759 9.2759 9.2759 9.2759 14.4739 14.4739 14.4739 14.4739 15.9302 15.9302 15.9302 15.9302 k = 0.3774 0.2179 0.3113 ( 2144 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5941 -6.5941 -6.5941 -6.5941 -4.1617 -4.1617 -4.1617 -4.1617 -4.0805 -4.0805 -4.0805 -4.0805 -3.9202 -3.9202 -3.9202 -3.9202 3.3918 3.3918 3.3918 3.3918 9.1043 9.1043 9.1043 9.1043 14.4875 14.4875 14.4875 14.4875 15.9218 15.9218 15.9218 15.9218 k = 0.3868 0.2233 0.3113 ( 2148 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5933 -6.5933 -6.5933 -6.5933 -4.1628 -4.1628 -4.1628 -4.1628 -4.0799 -4.0799 -4.0799 -4.0799 -3.9169 -3.9169 -3.9169 -3.9169 3.4895 3.4895 3.4895 3.4895 8.9381 8.9381 8.9381 8.9381 14.4985 14.4985 14.4985 14.4985 15.9185 15.9185 15.9185 15.9185 k = 0.3962 0.2288 0.3113 ( 2144 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5925 -6.5925 -6.5925 -6.5925 -4.1639 -4.1639 -4.1639 -4.1639 -4.0792 -4.0792 -4.0792 -4.0792 -3.9138 -3.9138 -3.9138 -3.9138 3.5858 3.5858 3.5858 3.5858 8.7782 8.7782 8.7782 8.7782 14.5070 14.5070 14.5070 14.5070 15.9197 15.9197 15.9197 15.9197 k = 0.4057 0.2342 0.3113 ( 2152 PWs) bands (ev): -6.6483 -6.6483 -6.6483 -6.6483 -6.5918 -6.5918 -6.5918 -6.5918 -4.1649 -4.1649 -4.1649 -4.1649 -4.0786 -4.0786 -4.0786 -4.0786 -3.9109 -3.9109 -3.9109 -3.9109 3.6800 3.6800 3.6800 3.6800 8.6255 8.6255 8.6255 8.6255 14.5131 14.5131 14.5131 14.5131 15.9248 15.9248 15.9248 15.9248 k = 0.4151 0.2397 0.3113 ( 2152 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.5912 -6.5912 -6.5912 -6.5912 -4.1659 -4.1659 -4.1659 -4.1659 -4.0780 -4.0780 -4.0780 -4.0780 -3.9082 -3.9082 -3.9082 -3.9082 3.7712 3.7712 3.7712 3.7712 8.4810 8.4810 8.4810 8.4810 14.5172 14.5172 14.5172 14.5172 15.9329 15.9329 15.9329 15.9329 k = 0.4245 0.2451 0.3113 ( 2150 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.5907 -6.5907 -6.5907 -6.5907 -4.1668 -4.1668 -4.1668 -4.1668 -4.0774 -4.0774 -4.0774 -4.0774 -3.9058 -3.9058 -3.9058 -3.9058 3.8583 3.8583 3.8583 3.8583 8.3459 8.3459 8.3459 8.3459 14.5195 14.5195 14.5195 14.5195 15.9433 15.9433 15.9433 15.9433 k = 0.4340 0.2505 0.3113 ( 2150 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.5902 -6.5902 -6.5902 -6.5902 -4.1676 -4.1676 -4.1676 -4.1676 -4.0769 -4.0769 -4.0769 -4.0769 -3.9036 -3.9036 -3.9036 -3.9036 3.9403 3.9403 3.9403 3.9403 8.2215 8.2215 8.2215 8.2215 14.5204 14.5204 14.5204 14.5204 15.9549 15.9549 15.9549 15.9549 k = 0.4434 0.2560 0.3113 ( 2152 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.5898 -6.5898 -6.5898 -6.5898 -4.1684 -4.1684 -4.1684 -4.1684 -4.0764 -4.0764 -4.0764 -4.0764 -3.9017 -3.9017 -3.9017 -3.9017 4.0157 4.0157 4.0157 4.0157 8.1090 8.1090 8.1090 8.1090 14.5204 14.5204 14.5204 14.5204 15.9670 15.9670 15.9670 15.9670 k = 0.4528 0.2614 0.3113 ( 2152 PWs) bands (ev): -6.6484 -6.6484 -6.6484 -6.6484 -6.5894 -6.5894 -6.5894 -6.5894 -4.1690 -4.1690 -4.1690 -4.1690 -4.0760 -4.0760 -4.0760 -4.0760 -3.9001 -3.9001 -3.9001 -3.9001 4.0832 4.0832 4.0832 4.0832 8.0101 8.0101 8.0101 8.0101 14.5197 14.5197 14.5197 14.5197 15.9787 15.9787 15.9787 15.9787 k = 0.4623 0.2669 0.3113 ( 2154 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5891 -6.5891 -6.5891 -6.5891 -4.1695 -4.1695 -4.1695 -4.1695 -4.0757 -4.0757 -4.0757 -4.0757 -3.8988 -3.8988 -3.8988 -3.8988 4.1413 4.1413 4.1413 4.1413 7.9262 7.9262 7.9262 7.9262 14.5186 14.5186 14.5186 14.5186 15.9893 15.9893 15.9893 15.9893 k = 0.4717 0.2723 0.3113 ( 2154 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5889 -6.5889 -6.5889 -6.5889 -4.1700 -4.1700 -4.1700 -4.1700 -4.0754 -4.0754 -4.0754 -4.0754 -3.8978 -3.8978 -3.8978 -3.8978 4.1884 4.1884 4.1884 4.1884 7.8590 7.8590 7.8590 7.8590 14.5175 14.5175 14.5175 14.5175 15.9983 15.9983 15.9983 15.9983 k = 0.4811 0.2778 0.3113 ( 2154 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5887 -6.5887 -6.5887 -6.5887 -4.1703 -4.1703 -4.1703 -4.1703 -4.0752 -4.0752 -4.0752 -4.0752 -3.8970 -3.8970 -3.8970 -3.8970 4.2233 4.2233 4.2233 4.2233 7.8098 7.8098 7.8098 7.8098 14.5166 14.5166 14.5166 14.5166 16.0051 16.0051 16.0051 16.0051 k = 0.4906 0.2832 0.3113 ( 2156 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5886 -6.5886 -6.5886 -6.5886 -4.1704 -4.1704 -4.1704 -4.1704 -4.0751 -4.0751 -4.0751 -4.0751 -3.8966 -3.8966 -3.8966 -3.8966 4.2447 4.2447 4.2447 4.2447 7.7798 7.7798 7.7798 7.7798 14.5160 14.5160 14.5160 14.5160 16.0093 16.0093 16.0093 16.0093 k = 0.5000 0.2887 0.3113 ( 2160 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5886 -6.5886 -6.5886 -6.5886 -4.1705 -4.1705 -4.1705 -4.1705 -4.0751 -4.0751 -4.0751 -4.0751 -3.8964 -3.8964 -3.8964 -3.8964 4.2519 4.2519 4.2519 4.2519 7.7697 7.7697 7.7697 7.7697 14.5158 14.5158 14.5158 14.5158 16.0107 16.0107 16.0107 16.0107 k = 0.5000 0.2887 0.3113 ( 2160 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5886 -6.5886 -6.5886 -6.5886 -4.1705 -4.1705 -4.1705 -4.1705 -4.0751 -4.0751 -4.0751 -4.0751 -3.8964 -3.8964 -3.8964 -3.8964 4.2519 4.2519 4.2519 4.2519 7.7697 7.7697 7.7697 7.7697 14.5158 14.5158 14.5158 14.5158 16.0107 16.0107 16.0107 16.0107 k = 0.4946 0.2980 0.3113 ( 2158 PWs) bands (ev): -6.6487 -6.6487 -6.6482 -6.6482 -6.5891 -6.5891 -6.5880 -6.5880 -4.1724 -4.1724 -4.1685 -4.1685 -4.0755 -4.0755 -4.0745 -4.0745 -3.8976 -3.8976 -3.8955 -3.8955 4.2526 4.2526 4.2530 4.2530 7.7694 7.7694 7.7733 7.7733 14.4574 14.4574 14.5408 14.5408 15.9572 15.9572 16.0714 16.0714 k = 0.4892 0.3073 0.3113 ( 2154 PWs) bands (ev): -6.6489 -6.6489 -6.6478 -6.6478 -6.5896 -6.5896 -6.5875 -6.5875 -4.1742 -4.1742 -4.1663 -4.1663 -4.0759 -4.0759 -4.0737 -4.0737 -3.8990 -3.8990 -3.8949 -3.8949 4.2552 4.2552 4.2560 4.2560 7.7725 7.7725 7.7802 7.7802 14.3707 14.3707 14.5286 14.5286 15.9161 15.9161 16.1336 16.1336 k = 0.4839 0.3166 0.3113 ( 2146 PWs) bands (ev): -6.6490 -6.6490 -6.6474 -6.6474 -6.5901 -6.5901 -6.5869 -6.5869 -4.1758 -4.1758 -4.1640 -4.1640 -4.0762 -4.0762 -4.0729 -4.0729 -3.9008 -3.9008 -3.8946 -3.8946 4.2597 4.2597 4.2608 4.2608 7.7789 7.7789 7.7906 7.7906 14.2604 14.2604 14.4783 14.4783 15.8911 15.8911 16.1933 16.1933 k = 0.4785 0.3259 0.3113 ( 2144 PWs) bands (ev): -6.6490 -6.6490 -6.6468 -6.6468 -6.5906 -6.5906 -6.5863 -6.5863 -4.1774 -4.1774 -4.1615 -4.1615 -4.0763 -4.0763 -4.0719 -4.0719 -3.9028 -3.9028 -3.8945 -3.8945 4.2660 4.2660 4.2675 4.2675 7.7886 7.7886 7.8043 7.8043 14.1307 14.1307 14.3924 14.3924 15.8825 15.8825 16.2481 16.2481 k = 0.4731 0.3352 0.3113 ( 2144 PWs) bands (ev): -6.6489 -6.6489 -6.6462 -6.6462 -6.5911 -6.5911 -6.5857 -6.5857 -4.1788 -4.1788 -4.1589 -4.1589 -4.0764 -4.0764 -4.0708 -4.0708 -3.9051 -3.9051 -3.8947 -3.8947 4.2742 4.2742 4.2760 4.2760 7.8015 7.8015 7.8214 7.8214 13.9853 13.9853 14.2761 14.2761 15.8880 15.8880 16.2974 16.2974 k = 0.4677 0.3445 0.3113 ( 2144 PWs) bands (ev): -6.6488 -6.6488 -6.6456 -6.6456 -6.5915 -6.5915 -6.5850 -6.5850 -4.1801 -4.1801 -4.1562 -4.1562 -4.0763 -4.0763 -4.0696 -4.0696 -3.9077 -3.9077 -3.8951 -3.8951 4.2841 4.2841 4.2864 4.2864 7.8175 7.8175 7.8419 7.8419 13.8270 13.8270 14.1359 14.1359 15.9043 15.9043 16.3415 16.3415 k = 0.4624 0.3539 0.3113 ( 2144 PWs) bands (ev): -6.6487 -6.6487 -6.6448 -6.6448 -6.5920 -6.5920 -6.5844 -6.5844 -4.1813 -4.1813 -4.1534 -4.1534 -4.0761 -4.0761 -4.0683 -4.0683 -3.9105 -3.9105 -3.8958 -3.8958 4.2958 4.2958 4.2985 4.2985 7.8367 7.8367 7.8658 7.8658 13.6585 13.6585 13.9777 13.9777 15.9280 15.9280 16.3814 16.3814 k = 0.4570 0.3632 0.3113 ( 2144 PWs) bands (ev): -6.6485 -6.6485 -6.6440 -6.6440 -6.5924 -6.5924 -6.5837 -6.5837 -4.1824 -4.1824 -4.1504 -4.1504 -4.0758 -4.0758 -4.0668 -4.0668 -3.9137 -3.9137 -3.8968 -3.8968 4.3093 4.3093 4.3123 4.3123 7.8589 7.8589 7.8930 7.8930 13.4819 13.4819 13.8064 13.8064 15.9567 15.9567 16.4180 16.4180 k = 0.4516 0.3725 0.3113 ( 2148 PWs) bands (ev): -6.6482 -6.6482 -6.6432 -6.6432 -6.5928 -6.5928 -6.5831 -6.5831 -4.1834 -4.1834 -4.1473 -4.1473 -4.0754 -4.0754 -4.0653 -4.0653 -3.9170 -3.9170 -3.8979 -3.8979 4.3244 4.3244 4.3278 4.3278 7.8840 7.8840 7.9235 7.9235 13.2989 13.2989 13.6259 13.6259 15.9888 15.9888 16.4526 16.4526 k = 0.4462 0.3818 0.3113 ( 2156 PWs) bands (ev): -6.6479 -6.6479 -6.6423 -6.6423 -6.5932 -6.5932 -6.5824 -6.5824 -4.1843 -4.1843 -4.1441 -4.1441 -4.0749 -4.0749 -4.0636 -4.0636 -3.9207 -3.9207 -3.8992 -3.8992 4.3411 4.3411 4.3450 4.3450 7.9120 7.9120 7.9574 7.9574 13.1112 13.1112 13.4392 13.4392 16.0231 16.0231 16.4860 16.4860 k = 0.4409 0.3911 0.3113 ( 2158 PWs) bands (ev): -6.6476 -6.6476 -6.6414 -6.6414 -6.5936 -6.5936 -6.5817 -6.5817 -4.1852 -4.1852 -4.1407 -4.1407 -4.0743 -4.0743 -4.0618 -4.0618 -3.9245 -3.9245 -3.9008 -3.9008 4.3594 4.3594 4.3637 4.3637 7.9428 7.9428 7.9945 7.9945 12.9201 12.9201 13.2485 13.2485 16.0588 16.0588 16.5190 16.5190 k = 0.4355 0.4004 0.3113 ( 2158 PWs) bands (ev): -6.6473 -6.6473 -6.6405 -6.6405 -6.5939 -6.5939 -6.5810 -6.5810 -4.1859 -4.1859 -4.1373 -4.1373 -4.0736 -4.0736 -4.0599 -4.0599 -3.9286 -3.9286 -3.9024 -3.9024 4.3792 4.3792 4.3839 4.3839 7.9761 7.9761 8.0349 8.0349 12.7268 12.7268 13.0559 13.0559 16.0956 16.0956 16.5520 16.5520 k = 0.4301 0.4097 0.3113 ( 2158 PWs) bands (ev): -6.6469 -6.6469 -6.6395 -6.6395 -6.5942 -6.5942 -6.5803 -6.5803 -4.1866 -4.1866 -4.1338 -4.1338 -4.0727 -4.0727 -4.0579 -4.0579 -3.9328 -3.9328 -3.9043 -3.9043 4.4003 4.4003 4.4055 4.4055 8.0119 8.0119 8.0784 8.0784 12.5322 12.5322 12.8626 12.8626 16.1332 16.1332 16.5855 16.5855 k = 0.4247 0.4190 0.3113 ( 2162 PWs) bands (ev): -6.6466 -6.6466 -6.6386 -6.6386 -6.5945 -6.5945 -6.5796 -6.5796 -4.1873 -4.1873 -4.1302 -4.1302 -4.0717 -4.0717 -4.0558 -4.0558 -3.9373 -3.9373 -3.9063 -3.9063 4.4228 4.4228 4.4284 4.4284 8.0500 8.0500 8.1251 8.1251 12.3374 12.3374 12.6701 12.6701 16.1712 16.1712 16.6197 16.6197 k = 0.4194 0.4284 0.3113 ( 2164 PWs) bands (ev): -6.6462 -6.6462 -6.6376 -6.6376 -6.5948 -6.5948 -6.5788 -6.5788 -4.1878 -4.1878 -4.1266 -4.1266 -4.0706 -4.0706 -4.0536 -4.0536 -3.9419 -3.9419 -3.9083 -3.9083 4.4464 4.4464 4.4525 4.4525 8.0902 8.0902 8.1748 8.1748 12.1431 12.1431 12.4793 12.4793 16.2096 16.2096 16.6545 16.6545 k = 0.4140 0.4377 0.3113 ( 2164 PWs) bands (ev): -6.6458 -6.6458 -6.6367 -6.6367 -6.5951 -6.5951 -6.5781 -6.5781 -4.1884 -4.1884 -4.1230 -4.1230 -4.0694 -4.0694 -4.0513 -4.0513 -3.9467 -3.9467 -3.9105 -3.9105 4.4710 4.4710 4.4777 4.4777 8.1321 8.1321 8.2274 8.2274 11.9501 11.9501 12.2914 12.2914 16.2482 16.2482 16.6901 16.6901 k = 0.4086 0.4470 0.3113 ( 2168 PWs) bands (ev): -6.6455 -6.6455 -6.6358 -6.6358 -6.5953 -6.5953 -6.5775 -6.5775 -4.1889 -4.1889 -4.1194 -4.1194 -4.0679 -4.0679 -4.0490 -4.0490 -3.9516 -3.9516 -3.9128 -3.9128 4.4966 4.4966 4.5037 4.5037 8.1756 8.1756 8.2830 8.2830 11.7591 11.7591 12.1072 12.1072 16.2868 16.2868 16.7264 16.7264 k = 0.4032 0.4563 0.3113 ( 2172 PWs) bands (ev): -6.6451 -6.6451 -6.6349 -6.6349 -6.5955 -6.5955 -6.5768 -6.5768 -4.1893 -4.1893 -4.1158 -4.1158 -4.0663 -4.0663 -4.0467 -4.0467 -3.9567 -3.9567 -3.9150 -3.9150 4.5227 4.5227 4.5304 4.5304 8.2203 8.2203 8.3412 8.3412 11.5710 11.5710 11.9277 11.9277 16.3253 16.3253 16.7632 16.7632 k = 0.3978 0.4656 0.3113 ( 2168 PWs) bands (ev): -6.6448 -6.6448 -6.6340 -6.6340 -6.5957 -6.5957 -6.5761 -6.5761 -4.1897 -4.1897 -4.1124 -4.1124 -4.0646 -4.0646 -4.0443 -4.0443 -3.9618 -3.9618 -3.9173 -3.9173 4.5494 4.5494 4.5576 4.5576 8.2657 8.2657 8.4020 8.4020 11.3862 11.3862 11.7539 11.7539 16.3632 16.3632 16.8003 16.8003 k = 0.3925 0.4749 0.3113 ( 2168 PWs) bands (ev): -6.6445 -6.6445 -6.6332 -6.6332 -6.5959 -6.5959 -6.5755 -6.5755 -4.1901 -4.1901 -4.1090 -4.1090 -4.0626 -4.0626 -4.0419 -4.0419 -3.9670 -3.9670 -3.9196 -3.9196 4.5763 4.5763 4.5851 4.5851 8.3114 8.3114 8.4652 8.4652 11.2057 11.2057 11.5867 11.5867 16.4005 16.4005 16.8374 16.8374 k = 0.3871 0.4842 0.3113 ( 2168 PWs) bands (ev): -6.6442 -6.6442 -6.6324 -6.6324 -6.5960 -6.5960 -6.5749 -6.5749 -4.1904 -4.1904 -4.1058 -4.1058 -4.0603 -4.0603 -4.0396 -4.0396 -3.9722 -3.9722 -3.9218 -3.9218 4.6032 4.6032 4.6125 4.6125 8.3568 8.3568 8.5305 8.5305 11.0303 11.0303 11.4274 11.4274 16.4368 16.4368 16.8741 16.8741 k = 0.3817 0.4935 0.3113 ( 2168 PWs) bands (ev): -6.6440 -6.6440 -6.6318 -6.6318 -6.5961 -6.5961 -6.5743 -6.5743 -4.1907 -4.1907 -4.1029 -4.1029 -4.0579 -4.0579 -4.0373 -4.0373 -3.9775 -3.9775 -3.9239 -3.9239 4.6297 4.6297 4.6396 4.6396 8.4012 8.4012 8.5975 8.5975 10.8606 10.8606 11.2770 11.2770 16.4718 16.4718 16.9101 16.9101 k = 0.3763 0.5029 0.3113 ( 2168 PWs) bands (ev): -6.6437 -6.6437 -6.6311 -6.6311 -6.5962 -6.5962 -6.5738 -6.5738 -4.1910 -4.1910 -4.1002 -4.1002 -4.0552 -4.0552 -4.0351 -4.0351 -3.9827 -3.9827 -3.9260 -3.9260 4.6556 4.6556 4.6660 4.6660 8.4438 8.4438 8.6658 8.6658 10.6980 10.6980 11.1370 11.1370 16.5052 16.5052 16.9449 16.9449 k = 0.3710 0.5122 0.3113 ( 2168 PWs) bands (ev): -6.6435 -6.6435 -6.6306 -6.6306 -6.5963 -6.5963 -6.5733 -6.5733 -4.1912 -4.1912 -4.0977 -4.0977 -4.0523 -4.0523 -4.0331 -4.0331 -3.9879 -3.9879 -3.9279 -3.9279 4.6803 4.6803 4.6913 4.6913 8.4837 8.4837 8.7346 8.7346 10.5434 10.5434 11.0087 11.0087 16.5364 16.5364 16.9779 16.9779 k = 0.3656 0.5215 0.3113 ( 2168 PWs) bands (ev): -6.6433 -6.6433 -6.6301 -6.6301 -6.5963 -6.5963 -6.5729 -6.5729 -4.1915 -4.1915 -4.0956 -4.0956 -4.0492 -4.0492 -4.0312 -4.0312 -3.9929 -3.9929 -3.9296 -3.9296 4.7036 4.7036 4.7150 4.7150 8.5200 8.5200 8.8030 8.8030 10.3986 10.3986 10.8937 10.8937 16.5650 16.5650 17.0087 17.0087 k = 0.3602 0.5308 0.3113 ( 2176 PWs) bands (ev): -6.6432 -6.6432 -6.6297 -6.6297 -6.5964 -6.5964 -6.5725 -6.5725 -4.1917 -4.1917 -4.0937 -4.0937 -4.0460 -4.0460 -4.0295 -4.0295 -3.9978 -3.9978 -3.9311 -3.9311 4.7248 4.7248 4.7367 4.7367 8.5517 8.5517 8.8696 8.8696 10.2656 10.2656 10.7936 10.7936 16.5906 16.5906 17.0366 17.0366 k = 0.3548 0.5401 0.3113 ( 2176 PWs) bands (ev): -6.6431 -6.6431 -6.6294 -6.6294 -6.5964 -6.5964 -6.5722 -6.5722 -4.1918 -4.1918 -4.0922 -4.0922 -4.0428 -4.0428 -4.0281 -4.0281 -4.0024 -4.0024 -3.9323 -3.9323 4.7435 4.7435 4.7559 4.7559 8.5778 8.5778 8.9322 8.9322 10.1471 10.1471 10.7099 10.7099 16.6127 16.6127 17.0609 17.0609 k = 0.3495 0.5494 0.3113 ( 2180 PWs) bands (ev): -6.6430 -6.6430 -6.6291 -6.6291 -6.5964 -6.5964 -6.5720 -6.5720 -4.1920 -4.1920 -4.0910 -4.0910 -4.0397 -4.0397 -4.0270 -4.0270 -4.0066 -4.0066 -3.9333 -3.9333 4.7592 4.7592 4.7719 4.7719 8.5978 8.5978 8.9877 8.9877 10.0469 10.0469 10.6439 10.6439 16.6308 16.6308 17.0810 17.0810 k = 0.3441 0.5587 0.3113 ( 2180 PWs) bands (ev): -6.6429 -6.6429 -6.6289 -6.6289 -6.5964 -6.5964 -6.5718 -6.5718 -4.1921 -4.1921 -4.0901 -4.0901 -4.0369 -4.0369 -4.0261 -4.0261 -4.0101 -4.0101 -3.9341 -3.9341 4.7711 4.7711 4.7841 4.7841 8.6113 8.6113 9.0320 9.0320 9.9699 9.9699 10.5967 10.5967 16.6443 16.6443 17.0962 17.0962 k = 0.3387 0.5680 0.3113 ( 2180 PWs) bands (ev): -6.6429 -6.6429 -6.6288 -6.6288 -6.5964 -6.5964 -6.5717 -6.5717 -4.1922 -4.1922 -4.0896 -4.0896 -4.0349 -4.0349 -4.0256 -4.0256 -4.0126 -4.0126 -3.9345 -3.9345 4.7787 4.7787 4.7919 4.7919 8.6187 8.6187 9.0605 9.0605 9.9212 9.9212 10.5686 10.5686 16.6527 16.6527 17.1058 17.1058 k = 0.3333 0.5774 0.3113 ( 2184 PWs) bands (ev): -6.6429 -6.6429 -6.6288 -6.6288 -6.5964 -6.5964 -6.5717 -6.5717 -4.1922 -4.1922 -4.0894 -4.0894 -4.0342 -4.0342 -4.0254 -4.0254 -4.0135 -4.0135 -3.9346 -3.9346 4.7814 4.7814 4.7947 4.7947 8.6209 8.6209 9.0700 9.0700 9.9048 9.9048 10.5594 10.5594 16.6556 16.6556 17.1091 17.1091 k = 0.3333 0.5774 0.3113 ( 2184 PWs) bands (ev): -6.6429 -6.6429 -6.6288 -6.6288 -6.5964 -6.5964 -6.5717 -6.5717 -4.1922 -4.1922 -4.0894 -4.0894 -4.0342 -4.0342 -4.0254 -4.0254 -4.0135 -4.0135 -3.9346 -3.9346 4.7814 4.7814 4.7947 4.7947 8.6209 8.6209 9.0700 9.0700 9.9048 9.9048 10.5594 10.5594 16.6556 16.6556 17.1091 17.1091 k = 0.3279 0.5679 0.3113 ( 2172 PWs) bands (ev): -6.6429 -6.6429 -6.6288 -6.6288 -6.5964 -6.5964 -6.5717 -6.5717 -4.1922 -4.1922 -4.0896 -4.0896 -4.0349 -4.0349 -4.0256 -4.0256 -4.0126 -4.0126 -3.9345 -3.9345 4.7784 4.7784 4.7916 4.7916 8.6193 8.6193 9.0614 9.0614 9.9208 9.9208 10.5685 10.5685 16.6525 16.6525 17.1055 17.1055 k = 0.3224 0.5584 0.3113 ( 2176 PWs) bands (ev): -6.6429 -6.6429 -6.6289 -6.6289 -6.5964 -6.5964 -6.5718 -6.5718 -4.1921 -4.1921 -4.0902 -4.0902 -4.0366 -4.0366 -4.0261 -4.0261 -4.0105 -4.0105 -3.9341 -3.9341 4.7691 4.7691 4.7821 4.7821 8.6158 8.6158 9.0396 9.0396 9.9650 9.9650 10.5950 10.5950 16.6429 16.6429 17.0944 17.0944 k = 0.3169 0.5490 0.3113 ( 2180 PWs) bands (ev): -6.6430 -6.6430 -6.6291 -6.6291 -6.5964 -6.5964 -6.5720 -6.5720 -4.1919 -4.1919 -4.0912 -4.0912 -4.0386 -4.0386 -4.0270 -4.0270 -4.0076 -4.0076 -3.9335 -3.9335 4.7529 4.7529 4.7655 4.7655 8.6128 8.6128 9.0119 9.0119 10.0306 10.0306 10.6370 10.6370 16.6266 16.6266 17.0756 17.0756 k = 0.3115 0.5395 0.3113 ( 2176 PWs) bands (ev): -6.6431 -6.6431 -6.6293 -6.6293 -6.5965 -6.5965 -6.5723 -6.5723 -4.1917 -4.1917 -4.0927 -4.0927 -4.0406 -4.0406 -4.0281 -4.0281 -4.0044 -4.0044 -3.9327 -3.9327 4.7293 4.7293 4.7414 4.7414 8.6123 8.6123 8.9846 8.9846 10.1120 10.1120 10.6930 10.6930 16.6035 16.6035 17.0489 17.0489 k = 0.3060 0.5300 0.3113 ( 2176 PWs) bands (ev): -6.6431 -6.6431 -6.6296 -6.6296 -6.5966 -6.5966 -6.5726 -6.5726 -4.1914 -4.1914 -4.0945 -4.0945 -4.0424 -4.0424 -4.0296 -4.0296 -4.0011 -4.0011 -3.9317 -3.9317 4.6982 4.6982 4.7097 4.7097 8.6165 8.6165 8.9623 8.9623 10.2047 10.2047 10.7611 10.7611 16.5736 16.5736 17.0145 17.0145 k = 0.3005 0.5206 0.3113 ( 2178 PWs) bands (ev): -6.6433 -6.6433 -6.6299 -6.6299 -6.5966 -6.5966 -6.5731 -6.5731 -4.1911 -4.1911 -4.0967 -4.0967 -4.0439 -4.0439 -4.0312 -4.0312 -3.9979 -3.9979 -3.9307 -3.9307 4.6592 4.6592 4.6700 4.6700 8.6269 8.6269 8.9479 8.9479 10.3060 10.3060 10.8398 10.8398 16.5371 16.5371 16.9725 16.9725 k = 0.2951 0.5111 0.3113 ( 2174 PWs) bands (ev): -6.6434 -6.6434 -6.6302 -6.6302 -6.5968 -6.5968 -6.5736 -6.5736 -4.1906 -4.1906 -4.0992 -4.0992 -4.0451 -4.0451 -4.0331 -4.0331 -3.9948 -3.9948 -3.9296 -3.9296 4.6126 4.6126 4.6226 4.6226 8.6450 8.6450 8.9433 8.9433 10.4140 10.4140 10.9278 10.9278 16.4942 16.4942 16.9235 16.9235 k = 0.2896 0.5016 0.3113 ( 2166 PWs) bands (ev): -6.6435 -6.6435 -6.6306 -6.6306 -6.5969 -6.5969 -6.5741 -6.5741 -4.1901 -4.1901 -4.1020 -4.1020 -4.0459 -4.0459 -4.0352 -4.0352 -3.9918 -3.9918 -3.9286 -3.9286 4.5584 4.5584 4.5676 4.5676 8.6715 8.6715 8.9496 8.9496 10.5273 10.5273 11.0239 11.0239 16.4453 16.4453 16.8680 16.8680 k = 0.2842 0.4922 0.3113 ( 2170 PWs) bands (ev): -6.6437 -6.6437 -6.6311 -6.6311 -6.5971 -6.5971 -6.5748 -6.5748 -4.1895 -4.1895 -4.1049 -4.1049 -4.0466 -4.0466 -4.0374 -4.0374 -3.9891 -3.9891 -3.9275 -3.9275 4.4970 4.4970 4.5053 4.5053 8.7072 8.7072 8.9672 8.9672 10.6452 10.6452 11.1270 11.1270 16.3908 16.3908 16.8067 16.8067 k = 0.2787 0.4827 0.3113 ( 2170 PWs) bands (ev): -6.6438 -6.6438 -6.6315 -6.6315 -6.5973 -6.5973 -6.5755 -6.5755 -4.1887 -4.1887 -4.1080 -4.1080 -4.0470 -4.0470 -4.0398 -4.0398 -3.9866 -3.9866 -3.9266 -3.9266 4.4288 4.4288 4.4363 4.4363 8.7522 8.7522 8.9962 8.9962 10.7669 10.7669 11.2365 11.2365 16.3314 16.3314 16.7405 16.7405 k = 0.2732 0.4732 0.3113 ( 2164 PWs) bands (ev): -6.6440 -6.6440 -6.6320 -6.6320 -6.5975 -6.5975 -6.5763 -6.5763 -4.1879 -4.1879 -4.1111 -4.1111 -4.0472 -4.0472 -4.0422 -4.0422 -3.9844 -3.9844 -3.9258 -3.9258 4.3545 4.3545 4.3612 4.3612 8.8065 8.8065 9.0365 9.0365 10.8920 10.8920 11.3517 11.3517 16.2676 16.2676 16.6700 16.6700 k = 0.2678 0.4638 0.3113 ( 2164 PWs) bands (ev): -6.6441 -6.6441 -6.6325 -6.6325 -6.5978 -6.5978 -6.5772 -6.5772 -4.1869 -4.1869 -4.1143 -4.1143 -4.0472 -4.0472 -4.0448 -4.0448 -3.9824 -3.9824 -3.9251 -3.9251 4.2746 4.2746 4.2805 4.2805 8.8701 8.8701 9.0877 9.0877 11.0201 11.0201 11.4719 11.4719 16.2000 16.2000 16.5961 16.5961 k = 0.2623 0.4543 0.3113 ( 2160 PWs) bands (ev): -6.6443 -6.6443 -6.6331 -6.6331 -6.5981 -6.5981 -6.5781 -6.5781 -4.1859 -4.1859 -4.1174 -4.1174 -4.0474 -4.0474 -4.0472 -4.0472 -3.9807 -3.9807 -3.9246 -3.9246 4.1898 4.1898 4.1951 4.1951 8.9426 8.9426 9.1493 9.1493 11.1510 11.1510 11.5967 11.5967 16.1293 16.1293 16.5196 16.5196 k = 0.2568 0.4448 0.3113 ( 2160 PWs) bands (ev): -6.6445 -6.6445 -6.6336 -6.6336 -6.5984 -6.5984 -6.5791 -6.5791 -4.1847 -4.1847 -4.1205 -4.1205 -4.0501 -4.0501 -4.0470 -4.0470 -3.9794 -3.9794 -3.9243 -3.9243 4.1008 4.1008 4.1055 4.1055 9.0236 9.0236 9.2207 9.2207 11.2843 11.2843 11.7257 11.7257 16.0561 16.0561 16.4413 16.4413 k = 0.2514 0.4354 0.3113 ( 2164 PWs) bands (ev): -6.6447 -6.6447 -6.6342 -6.6342 -6.5988 -6.5988 -6.5801 -6.5801 -4.1834 -4.1834 -4.1236 -4.1236 -4.0529 -4.0529 -4.0468 -4.0468 -3.9784 -3.9784 -3.9243 -3.9243 4.0084 4.0084 4.0125 4.0125 9.1128 9.1128 9.3014 9.3014 11.4197 11.4197 11.8585 11.8585 15.9810 15.9810 16.3619 16.3619 k = 0.2459 0.4259 0.3113 ( 2160 PWs) bands (ev): -6.6449 -6.6449 -6.6348 -6.6348 -6.5992 -6.5992 -6.5812 -6.5812 -4.1820 -4.1820 -4.1265 -4.1265 -4.0557 -4.0557 -4.0465 -4.0465 -3.9777 -3.9777 -3.9244 -3.9244 3.9130 3.9130 3.9167 3.9167 9.2096 9.2096 9.3908 9.3908 11.5572 11.5572 11.9949 11.9949 15.9047 15.9047 16.2822 16.2822 k = 0.2404 0.4164 0.3113 ( 2162 PWs) bands (ev): -6.6451 -6.6451 -6.6354 -6.6354 -6.5996 -6.5996 -6.5824 -6.5824 -4.1804 -4.1804 -4.1293 -4.1293 -4.0585 -4.0585 -4.0461 -4.0461 -3.9773 -3.9773 -3.9248 -3.9248 3.8154 3.8154 3.8186 3.8186 9.3135 9.3135 9.4882 9.4882 11.6963 11.6963 12.1345 12.1345 15.8278 15.8278 16.2030 16.2030 k = 0.2350 0.4070 0.3113 ( 2158 PWs) bands (ev): -6.6453 -6.6453 -6.6360 -6.6360 -6.6001 -6.6001 -6.5836 -6.5836 -4.1788 -4.1788 -4.1320 -4.1320 -4.0614 -4.0614 -4.0457 -4.0457 -3.9773 -3.9773 -3.9254 -3.9254 3.7161 3.7161 3.7190 3.7190 9.4241 9.4241 9.5930 9.5930 11.8369 11.8369 12.2770 12.2770 15.7508 15.7508 16.1248 16.1248 k = 0.2295 0.3975 0.3113 ( 2154 PWs) bands (ev): -6.6455 -6.6455 -6.6366 -6.6366 -6.6006 -6.6006 -6.5848 -6.5848 -4.1770 -4.1770 -4.1346 -4.1346 -4.0642 -4.0642 -4.0452 -4.0452 -3.9775 -3.9775 -3.9263 -3.9263 3.6156 3.6156 3.6182 3.6182 9.5409 9.5409 9.7046 9.7046 11.9787 11.9787 12.4222 12.4222 15.6743 15.6743 16.0484 16.0484 k = 0.2240 0.3881 0.3113 ( 2154 PWs) bands (ev): -6.6457 -6.6457 -6.6373 -6.6373 -6.6011 -6.6011 -6.5861 -6.5861 -4.1752 -4.1752 -4.1370 -4.1370 -4.0671 -4.0671 -4.0448 -4.0448 -3.9781 -3.9781 -3.9274 -3.9274 3.5144 3.5144 3.5168 3.5168 9.6633 9.6633 9.8224 9.8224 12.1215 12.1215 12.5697 12.5697 15.5990 15.5990 15.9744 15.9744 k = 0.2186 0.3786 0.3113 ( 2150 PWs) bands (ev): -6.6459 -6.6459 -6.6379 -6.6379 -6.6017 -6.6017 -6.5874 -6.5874 -4.1732 -4.1732 -4.1393 -4.1393 -4.0700 -4.0700 -4.0443 -4.0443 -3.9790 -3.9790 -3.9287 -3.9287 3.4130 3.4130 3.4151 3.4151 9.7909 9.7909 9.9459 9.9459 12.2648 12.2648 12.7194 12.7194 15.5255 15.5255 15.9036 15.9036 k = 0.2131 0.3691 0.3113 ( 2154 PWs) bands (ev): -6.6461 -6.6461 -6.6385 -6.6385 -6.6023 -6.6023 -6.5887 -6.5887 -4.1712 -4.1712 -4.1414 -4.1414 -4.0728 -4.0728 -4.0437 -4.0437 -3.9803 -3.9803 -3.9303 -3.9303 3.3116 3.3116 3.3136 3.3136 9.9232 9.9232 10.0746 10.0746 12.4083 12.4083 12.8708 12.8708 15.4545 15.4545 15.8368 15.8368 k = 0.2077 0.3597 0.3113 ( 2154 PWs) bands (ev): -6.6463 -6.6463 -6.6392 -6.6392 -6.6029 -6.6029 -6.5901 -6.5901 -4.1690 -4.1690 -4.1435 -4.1435 -4.0757 -4.0757 -4.0432 -4.0432 -3.9818 -3.9818 -3.9322 -3.9322 3.2108 3.2108 3.2126 3.2126 10.0596 10.0596 10.2077 10.2077 12.5516 12.5516 13.0235 13.0235 15.3867 15.3867 15.7748 15.7748 k = 0.2022 0.3502 0.3113 ( 2154 PWs) bands (ev): -6.6465 -6.6465 -6.6398 -6.6398 -6.6036 -6.6036 -6.5916 -6.5916 -4.1669 -4.1669 -4.1454 -4.1454 -4.0785 -4.0785 -4.0426 -4.0426 -3.9836 -3.9836 -3.9342 -3.9342 3.1107 3.1107 3.1123 3.1123 10.1997 10.1997 10.3448 10.3448 12.6942 12.6942 13.1770 13.1770 15.3229 15.3229 15.7184 15.7184 k = 0.1967 0.3407 0.3113 ( 2154 PWs) bands (ev): -6.6467 -6.6467 -6.6404 -6.6404 -6.6043 -6.6043 -6.5930 -6.5930 -4.1646 -4.1646 -4.1471 -4.1471 -4.0812 -4.0812 -4.0421 -4.0421 -3.9856 -3.9856 -3.9365 -3.9365 3.0116 3.0116 3.0132 3.0132 10.3430 10.3430 10.4852 10.4852 12.8356 12.8356 13.3307 13.3307 15.2642 15.2642 15.6685 15.6685 k = 0.1913 0.3313 0.3113 ( 2146 PWs) bands (ev): -6.6470 -6.6470 -6.6411 -6.6411 -6.6051 -6.6051 -6.5945 -6.5945 -4.1624 -4.1624 -4.1488 -4.1488 -4.0839 -4.0839 -4.0415 -4.0415 -3.9878 -3.9878 -3.9389 -3.9389 2.9139 2.9139 2.9153 2.9153 10.4888 10.4888 10.6282 10.6282 12.9751 12.9751 13.4837 13.4837 15.2119 15.2119 15.6264 15.6264 k = 0.1858 0.3218 0.3113 ( 2138 PWs) bands (ev): -6.6472 -6.6472 -6.6417 -6.6417 -6.6059 -6.6059 -6.5960 -6.5960 -4.1602 -4.1602 -4.1503 -4.1503 -4.0865 -4.0865 -4.0409 -4.0409 -3.9903 -3.9903 -3.9416 -3.9416 2.8176 2.8176 2.8190 2.8190 10.6365 10.6365 10.7732 10.7732 13.1121 13.1121 13.6347 13.6347 15.1677 15.1677 15.5932 15.5932 k = 0.1803 0.3123 0.3113 ( 2138 PWs) bands (ev): -6.6474 -6.6474 -6.6424 -6.6424 -6.6067 -6.6067 -6.5975 -6.5975 -4.1580 -4.1580 -4.1517 -4.1517 -4.0889 -4.0889 -4.0404 -4.0404 -3.9929 -3.9929 -3.9444 -3.9444 2.7230 2.7230 2.7243 2.7243 10.7855 10.7855 10.9194 10.9194 13.2458 13.2458 13.7822 13.7822 15.1337 15.1337 15.5703 15.5703 k = 0.1749 0.3029 0.3113 ( 2138 PWs) bands (ev): -6.6477 -6.6477 -6.6430 -6.6430 -6.6075 -6.6075 -6.5990 -6.5990 -4.1559 -4.1559 -4.1531 -4.1531 -4.0912 -4.0912 -4.0398 -4.0398 -3.9957 -3.9957 -3.9473 -3.9473 2.6304 2.6304 2.6316 2.6316 10.9349 10.9349 11.0658 11.0658 13.3754 13.3754 13.9235 13.9235 15.1130 15.1130 15.5589 15.5589 k = 0.1694 0.2934 0.3113 ( 2134 PWs) bands (ev): -6.6480 -6.6480 -6.6436 -6.6436 -6.6084 -6.6084 -6.6005 -6.6005 -4.1543 -4.1543 -4.1540 -4.1540 -4.0933 -4.0933 -4.0393 -4.0393 -3.9986 -3.9986 -3.9504 -3.9504 2.5397 2.5397 2.5408 2.5408 11.0839 11.0839 11.2115 11.2115 13.5004 13.5004 14.0555 14.0555 15.1095 15.1095 15.5606 15.5606 k = 0.1639 0.2839 0.3113 ( 2130 PWs) bands (ev): -6.6482 -6.6482 -6.6443 -6.6443 -6.6093 -6.6093 -6.6021 -6.6021 -4.1555 -4.1555 -4.1523 -4.1523 -4.0951 -4.0951 -4.0389 -4.0389 -4.0015 -4.0015 -3.9536 -3.9536 2.4512 2.4512 2.4522 2.4522 11.2316 11.2316 11.3554 11.3554 13.6203 13.6203 14.1742 14.1742 15.1279 15.1279 15.5766 15.5766 k = 0.1585 0.2745 0.3113 ( 2130 PWs) bands (ev): -6.6485 -6.6485 -6.6449 -6.6449 -6.6103 -6.6103 -6.6036 -6.6036 -4.1566 -4.1566 -4.1508 -4.1508 -4.0966 -4.0966 -4.0385 -4.0385 -4.0044 -4.0044 -3.9568 -3.9568 2.3649 2.3649 2.3659 2.3659 11.3767 11.3767 11.4962 11.4962 13.7349 13.7349 14.2760 14.2760 15.1727 15.1727 15.6080 15.6080 k = 0.1530 0.2650 0.3113 ( 2130 PWs) bands (ev): -6.6488 -6.6488 -6.6455 -6.6455 -6.6112 -6.6112 -6.6052 -6.6052 -4.1577 -4.1577 -4.1497 -4.1497 -4.0977 -4.0977 -4.0383 -4.0383 -4.0072 -4.0072 -3.9602 -3.9602 2.2811 2.2811 2.2820 2.2820 11.5180 11.5180 11.6325 11.6325 13.8449 13.8449 14.3595 14.3595 15.2462 15.2462 15.6555 15.6555 k = 0.1475 0.2555 0.3113 ( 2128 PWs) bands (ev): -6.6491 -6.6491 -6.6461 -6.6461 -6.6122 -6.6122 -6.6067 -6.6067 -4.1588 -4.1588 -4.1490 -4.1490 -4.0983 -4.0983 -4.0383 -4.0383 -4.0099 -4.0099 -3.9635 -3.9635 2.1997 2.1997 2.2005 2.2005 11.6542 11.6542 11.7627 11.7627 13.9512 13.9512 14.4274 14.4274 15.3469 15.3469 15.7192 15.7192 k = 0.1421 0.2461 0.3113 ( 2128 PWs) bands (ev): -6.6495 -6.6495 -6.6468 -6.6468 -6.6132 -6.6132 -6.6083 -6.6083 -4.1598 -4.1598 -4.1488 -4.1488 -4.0985 -4.0985 -4.0385 -4.0385 -4.0124 -4.0124 -3.9669 -3.9669 2.1208 2.1208 2.1216 2.1216 11.7837 11.7837 11.8852 11.8852 14.0556 14.0556 14.4854 14.4854 15.4702 15.4702 15.7986 15.7986 k = 0.1366 0.2366 0.3113 ( 2132 PWs) bands (ev): -6.6498 -6.6498 -6.6474 -6.6474 -6.6142 -6.6142 -6.6098 -6.6098 -4.1608 -4.1608 -4.1491 -4.1491 -4.0982 -4.0982 -4.0390 -4.0390 -4.0144 -4.0144 -3.9703 -3.9703 2.0446 2.0446 2.0453 2.0453 11.9050 11.9050 11.9986 11.9986 14.1603 14.1603 14.5403 14.5403 15.6105 15.6105 15.8927 15.8927 k = 0.1311 0.2272 0.3113 ( 2132 PWs) bands (ev): -6.6502 -6.6502 -6.6481 -6.6481 -6.6152 -6.6152 -6.6113 -6.6113 -4.1619 -4.1619 -4.1498 -4.1498 -4.0974 -4.0974 -4.0399 -4.0399 -4.0161 -4.0161 -3.9736 -3.9736 1.9711 1.9711 1.9718 1.9718 12.0166 12.0166 12.1013 12.1013 14.2677 14.2677 14.5979 14.5979 15.7630 15.7630 16.0000 16.0000 k = 0.1257 0.2177 0.3113 ( 2136 PWs) bands (ev): -6.6506 -6.6506 -6.6487 -6.6487 -6.6162 -6.6162 -6.6127 -6.6127 -4.1629 -4.1629 -4.1509 -4.1509 -4.0962 -4.0962 -4.0413 -4.0413 -4.0172 -4.0172 -3.9769 -3.9769 1.9003 1.9003 1.9009 1.9009 12.1172 12.1172 12.1924 12.1924 14.3801 14.3801 14.6629 14.6629 15.9239 15.9239 16.1189 16.1189 k = 0.1202 0.2082 0.3113 ( 2140 PWs) bands (ev): -6.6510 -6.6510 -6.6494 -6.6494 -6.6173 -6.6173 -6.6142 -6.6142 -4.1640 -4.1640 -4.1524 -4.1524 -4.0947 -4.0947 -4.0430 -4.0430 -4.0179 -4.0179 -3.9802 -3.9802 1.8323 1.8323 1.8328 1.8328 12.2058 12.2058 12.2711 12.2711 14.4992 14.4992 14.7382 14.7382 16.0906 16.0906 16.2477 16.2477 k = 0.1148 0.1988 0.3113 ( 2140 PWs) bands (ev): -6.6515 -6.6515 -6.6500 -6.6500 -6.6183 -6.6183 -6.6156 -6.6156 -4.1651 -4.1651 -4.1541 -4.1541 -4.0929 -4.0929 -4.0449 -4.0449 -4.0182 -4.0182 -3.9833 -3.9833 1.7671 1.7671 1.7676 1.7676 12.2820 12.2820 12.3375 12.3375 14.6265 14.6265 14.8257 14.8257 16.2612 16.2612 16.3845 16.3845 k = 0.1093 0.1893 0.3113 ( 2144 PWs) bands (ev): -6.6519 -6.6519 -6.6507 -6.6507 -6.6192 -6.6192 -6.6169 -6.6169 -4.1662 -4.1662 -4.1561 -4.1561 -4.0909 -4.0909 -4.0471 -4.0471 -4.0182 -4.0182 -3.9863 -3.9863 1.7048 1.7048 1.7052 1.7052 12.3456 12.3456 12.3918 12.3918 14.7622 14.7622 14.9261 14.9261 16.4342 16.4342 16.5279 16.5279 k = 0.1038 0.1798 0.3113 ( 2144 PWs) bands (ev): -6.6524 -6.6524 -6.6514 -6.6514 -6.6202 -6.6202 -6.6182 -6.6182 -4.1674 -4.1674 -4.1583 -4.1583 -4.0888 -4.0888 -4.0494 -4.0494 -4.0179 -4.0179 -3.9892 -3.9892 1.6454 1.6454 1.6458 1.6458 12.3973 12.3973 12.4349 12.4349 14.9062 14.9062 15.0391 15.0391 16.6086 16.6086 16.6763 16.6763 k = 0.0984 0.1704 0.3113 ( 2156 PWs) bands (ev): -6.6529 -6.6529 -6.6520 -6.6520 -6.6212 -6.6212 -6.6195 -6.6195 -4.1687 -4.1687 -4.1605 -4.1605 -4.0866 -4.0866 -4.0516 -4.0516 -4.0175 -4.0175 -3.9919 -3.9919 1.5889 1.5889 1.5893 1.5893 12.4380 12.4380 12.4680 12.4680 15.0577 15.0577 15.1638 15.1638 16.7835 16.7835 16.8286 16.8286 k = 0.0929 0.1609 0.3113 ( 2148 PWs) bands (ev): -6.6534 -6.6534 -6.6527 -6.6527 -6.6221 -6.6221 -6.6207 -6.6207 -4.1699 -4.1699 -4.1628 -4.1628 -4.0845 -4.0845 -4.0538 -4.0538 -4.0169 -4.0169 -3.9945 -3.9945 1.5354 1.5354 1.5357 1.5357 12.4689 12.4689 12.4925 12.4925 15.2157 15.2157 15.2989 15.2989 16.9579 16.9579 16.9837 16.9837 k = 0.0874 0.1514 0.3113 ( 2148 PWs) bands (ev): -6.6540 -6.6540 -6.6534 -6.6534 -6.6229 -6.6229 -6.6218 -6.6218 -4.1713 -4.1713 -4.1651 -4.1651 -4.0824 -4.0824 -4.0559 -4.0559 -4.0162 -4.0162 -3.9969 -3.9969 1.4849 1.4849 1.4851 1.4851 12.4913 12.4913 12.5096 12.5096 15.3785 15.3785 15.4424 15.4424 17.1311 17.1311 17.1404 17.1404 k = 0.0820 0.1420 0.3113 ( 2156 PWs) bands (ev): -6.6545 -6.6545 -6.6541 -6.6541 -6.6238 -6.6238 -6.6228 -6.6228 -4.1726 -4.1726 -4.1675 -4.1675 -4.0804 -4.0804 -4.0579 -4.0579 -4.0156 -4.0156 -3.9991 -3.9991 1.4373 1.4373 1.4376 1.4376 12.5067 12.5067 12.5206 12.5206 15.5447 15.5447 15.5924 15.5924 17.2979 17.2979 17.3024 17.3024 k = 0.0765 0.1325 0.3113 ( 2152 PWs) bands (ev): -6.6551 -6.6551 -6.6547 -6.6547 -6.6246 -6.6246 -6.6238 -6.6238 -4.1740 -4.1740 -4.1697 -4.1697 -4.0785 -4.0785 -4.0598 -4.0598 -4.0148 -4.0148 -4.0010 -4.0010 1.3928 1.3928 1.3930 1.3930 12.5163 12.5163 12.5268 12.5268 15.7124 15.7124 15.7469 15.7469 17.4555 17.4555 17.4712 17.4712 k = 0.0710 0.1230 0.3113 ( 2148 PWs) bands (ev): -6.6557 -6.6557 -6.6554 -6.6554 -6.6253 -6.6253 -6.6247 -6.6247 -4.1754 -4.1754 -4.1719 -4.1719 -4.0768 -4.0768 -4.0614 -4.0614 -4.0141 -4.0141 -4.0028 -4.0028 1.3513 1.3513 1.3515 1.3515 12.5213 12.5213 12.5291 12.5291 15.8798 15.8798 15.9036 15.9036 17.6124 17.6124 17.6367 17.6367 k = 0.0656 0.1136 0.3113 ( 2136 PWs) bands (ev): -6.6562 -6.6562 -6.6560 -6.6560 -6.6260 -6.6260 -6.6255 -6.6255 -4.1768 -4.1768 -4.1740 -4.1740 -4.0752 -4.0752 -4.0629 -4.0629 -4.0134 -4.0134 -4.0043 -4.0043 1.3129 1.3129 1.3130 1.3130 12.5229 12.5229 12.5285 12.5285 16.0449 16.0449 16.0603 16.0603 17.7681 17.7681 17.7984 17.7984 k = 0.0601 0.1041 0.3113 ( 2140 PWs) bands (ev): -6.6568 -6.6568 -6.6566 -6.6566 -6.6267 -6.6267 -6.6263 -6.6263 -4.1782 -4.1782 -4.1760 -4.1760 -4.0738 -4.0738 -4.0642 -4.0642 -4.0127 -4.0127 -4.0056 -4.0056 1.2775 1.2775 1.2776 1.2776 12.5217 12.5217 12.5258 12.5258 16.2058 16.2058 16.2147 16.2147 17.9221 17.9221 17.9559 17.9559 k = 0.0546 0.0946 0.3113 ( 2140 PWs) bands (ev): -6.6573 -6.6573 -6.6572 -6.6572 -6.6273 -6.6273 -6.6270 -6.6270 -4.1796 -4.1796 -4.1779 -4.1779 -4.0727 -4.0727 -4.0653 -4.0653 -4.0121 -4.0121 -4.0067 -4.0067 1.2451 1.2451 1.2452 1.2452 12.5187 12.5187 12.5216 12.5216 16.3603 16.3603 16.3645 16.3645 18.0738 18.0738 18.1087 18.1087 k = 0.0492 0.0852 0.3113 ( 2128 PWs) bands (ev): -6.6579 -6.6579 -6.6578 -6.6578 -6.6278 -6.6278 -6.6276 -6.6276 -4.1808 -4.1808 -4.1796 -4.1796 -4.0717 -4.0717 -4.0663 -4.0663 -4.0115 -4.0115 -4.0075 -4.0075 1.2158 1.2158 1.2159 1.2159 12.5145 12.5145 12.5164 12.5164 16.5063 16.5063 16.5075 16.5075 18.2228 18.2228 18.2564 18.2564 k = 0.0437 0.0757 0.3113 ( 2132 PWs) bands (ev): -6.6584 -6.6584 -6.6583 -6.6583 -6.6283 -6.6283 -6.6281 -6.6281 -4.1821 -4.1821 -4.1812 -4.1812 -4.0709 -4.0709 -4.0671 -4.0671 -4.0110 -4.0110 -4.0082 -4.0082 1.1896 1.1896 1.1896 1.1896 12.5095 12.5095 12.5108 12.5108 16.6413 16.6413 16.6420 16.6420 18.3682 18.3682 18.3985 18.3985 k = 0.0383 0.0663 0.3113 ( 2132 PWs) bands (ev): -6.6588 -6.6588 -6.6588 -6.6588 -6.6287 -6.6287 -6.6286 -6.6286 -4.1832 -4.1832 -4.1826 -4.1826 -4.0704 -4.0704 -4.0678 -4.0678 -4.0105 -4.0105 -4.0086 -4.0086 1.1664 1.1664 1.1665 1.1665 12.5042 12.5042 12.5051 12.5051 16.7638 16.7638 16.7653 16.7653 18.5091 18.5091 18.5345 18.5345 k = 0.0328 0.0568 0.3113 ( 2130 PWs) bands (ev): -6.6592 -6.6592 -6.6592 -6.6592 -6.6291 -6.6291 -6.6290 -6.6290 -4.1842 -4.1842 -4.1839 -4.1839 -4.0699 -4.0699 -4.0683 -4.0683 -4.0102 -4.0102 -4.0089 -4.0089 1.1464 1.1464 1.1464 1.1464 12.4991 12.4991 12.4996 12.4996 16.8731 16.8731 16.8746 16.8746 18.6435 18.6435 18.6632 18.6632 k = 0.0273 0.0473 0.3113 ( 2128 PWs) bands (ev): -6.6596 -6.6596 -6.6596 -6.6596 -6.6294 -6.6294 -6.6294 -6.6294 -4.1851 -4.1851 -4.1849 -4.1849 -4.0696 -4.0696 -4.0687 -4.0687 -4.0098 -4.0098 -4.0091 -4.0091 1.1294 1.1294 1.1294 1.1294 12.4942 12.4942 12.4945 12.4945 16.9675 16.9675 16.9688 16.9688 18.7691 18.7691 18.7828 18.7828 k = 0.0219 0.0379 0.3113 ( 2120 PWs) bands (ev): -6.6599 -6.6599 -6.6599 -6.6599 -6.6296 -6.6296 -6.6296 -6.6296 -4.1859 -4.1859 -4.1858 -4.1858 -4.0695 -4.0695 -4.0690 -4.0690 -4.0096 -4.0096 -4.0092 -4.0092 1.1155 1.1155 1.1155 1.1155 12.4900 12.4900 12.4901 12.4901 17.0459 17.0459 17.0467 17.0467 18.8822 18.8822 18.8904 18.8904 k = 0.0164 0.0284 0.3113 ( 2116 PWs) bands (ev): -6.6601 -6.6601 -6.6601 -6.6601 -6.6298 -6.6298 -6.6298 -6.6298 -4.1865 -4.1865 -4.1864 -4.1864 -4.0694 -4.0694 -4.0692 -4.0692 -4.0094 -4.0094 -4.0093 -4.0093 1.1047 1.1047 1.1047 1.1047 12.4865 12.4865 12.4866 12.4866 17.1073 17.1073 17.1077 17.1077 18.9782 18.9782 18.9822 18.9822 k = 0.0109 0.0189 0.3113 ( 2116 PWs) bands (ev): -6.6603 -6.6603 -6.6603 -6.6603 -6.6300 -6.6300 -6.6300 -6.6300 -4.1869 -4.1869 -4.1869 -4.1869 -4.0693 -4.0693 -4.0693 -4.0693 -4.0093 -4.0093 -4.0093 -4.0093 1.0969 1.0969 1.0969 1.0969 12.4839 12.4839 12.4839 12.4839 17.1514 17.1514 17.1515 17.1515 19.0520 19.0520 19.0533 19.0533 k = 0.0055 0.0095 0.3113 ( 2112 PWs) bands (ev): -6.6604 -6.6604 -6.6604 -6.6604 -6.6301 -6.6301 -6.6301 -6.6301 -4.1872 -4.1872 -4.1872 -4.1872 -4.0693 -4.0693 -4.0693 -4.0693 -4.0092 -4.0092 -4.0092 -4.0092 1.0923 1.0923 1.0923 1.0923 12.4823 12.4823 12.4823 12.4823 17.1779 17.1779 17.1779 17.1779 19.0986 19.0986 19.0988 19.0988 k = 0.0000 0.0000 0.3113 ( 2112 PWs) bands (ev): -6.6605 -6.6605 -6.6605 -6.6605 -6.6301 -6.6301 -6.6301 -6.6301 -4.1873 -4.1873 -4.1873 -4.1873 -4.0693 -4.0693 -4.0693 -4.0693 -4.0092 -4.0092 -4.0092 -4.0092 1.0908 1.0908 1.0908 1.0908 12.4818 12.4818 12.4818 12.4818 17.1867 17.1867 17.1867 17.1867 19.1145 19.1145 19.1145 19.1145 k = 0.5000 0.2887 0.3113 ( 2160 PWs) bands (ev): -6.6485 -6.6485 -6.6485 -6.6485 -6.5886 -6.5886 -6.5886 -6.5886 -4.1705 -4.1705 -4.1705 -4.1705 -4.0751 -4.0751 -4.0751 -4.0751 -3.8964 -3.8964 -3.8964 -3.8964 4.2519 4.2519 4.2519 4.2519 7.7697 7.7697 7.7697 7.7697 14.5158 14.5158 14.5158 14.5158 16.0107 16.0107 16.0107 16.0107 k = 0.5000 0.2887 0.3005 ( 2162 PWs) bands (ev): -6.6491 -6.6491 -6.6479 -6.6479 -6.5888 -6.5888 -6.5884 -6.5884 -4.1724 -4.1724 -4.1685 -4.1685 -4.0773 -4.0773 -4.0727 -4.0727 -3.9009 -3.9009 -3.8921 -3.8921 4.2071 4.2071 4.2956 4.2956 7.7206 7.7206 7.8250 7.8250 14.4240 14.4240 14.6015 14.6015 15.8949 15.8949 16.1201 16.1201 k = 0.5000 0.2887 0.2898 ( 2152 PWs) bands (ev): -6.6497 -6.6497 -6.6472 -6.6472 -6.5891 -6.5891 -6.5882 -6.5882 -4.1741 -4.1741 -4.1665 -4.1665 -4.0795 -4.0795 -4.0704 -4.0704 -3.9056 -3.9056 -3.8879 -3.8879 4.1615 4.1615 4.3379 4.3379 7.6782 7.6782 7.8862 7.8862 14.3270 14.3270 14.6795 14.6795 15.7765 15.7765 16.2196 16.2196 k = 0.5000 0.2887 0.2791 ( 2152 PWs) bands (ev): -6.6502 -6.6502 -6.6465 -6.6465 -6.5894 -6.5894 -6.5881 -6.5881 -4.1758 -4.1758 -4.1644 -4.1644 -4.0816 -4.0816 -4.0679 -4.0679 -3.9103 -3.9103 -3.8839 -3.8839 4.1155 4.1155 4.3785 4.3785 7.6428 7.6428 7.9529 7.9529 14.2253 14.2253 14.7469 14.7469 15.6598 15.6598 16.3061 16.3061 k = 0.5000 0.2887 0.2683 ( 2150 PWs) bands (ev): -6.6507 -6.6507 -6.6457 -6.6457 -6.5897 -6.5897 -6.5880 -6.5880 -4.1773 -4.1773 -4.1622 -4.1622 -4.0836 -4.0836 -4.0655 -4.0655 -3.9151 -3.9151 -3.8800 -3.8800 4.0694 4.0694 4.4169 4.4169 7.6148 7.6148 8.0246 8.0246 14.1191 14.1191 14.7991 14.7991 15.5505 15.5505 16.3770 16.3770 k = 0.5000 0.2887 0.2576 ( 2150 PWs) bands (ev): -6.6512 -6.6512 -6.6450 -6.6450 -6.5901 -6.5901 -6.5879 -6.5879 -4.1786 -4.1786 -4.1601 -4.1601 -4.0855 -4.0855 -4.0630 -4.0630 -3.9201 -3.9201 -3.8764 -3.8764 4.0235 4.0235 4.4528 4.4528 7.5945 7.5945 8.1009 8.1009 14.0082 14.0082 14.8289 14.8289 15.4561 15.4561 16.4307 16.4307 k = 0.5000 0.2887 0.2469 ( 2152 PWs) bands (ev): -6.6516 -6.6516 -6.6442 -6.6442 -6.5904 -6.5904 -6.5879 -6.5879 -4.1798 -4.1798 -4.1579 -4.1579 -4.0873 -4.0873 -4.0605 -4.0605 -3.9250 -3.9250 -3.8730 -3.8730 3.9781 3.9781 4.4860 4.4860 7.5823 7.5823 8.1816 8.1816 13.8925 13.8925 14.8280 14.8280 15.3844 15.3844 16.4673 16.4673 k = 0.5000 0.2887 0.2361 ( 2160 PWs) bands (ev): -6.6520 -6.6520 -6.6434 -6.6434 -6.5908 -6.5908 -6.5879 -6.5879 -4.1808 -4.1808 -4.1558 -4.1558 -4.0890 -4.0890 -4.0580 -4.0580 -3.9300 -3.9300 -3.8698 -3.8698 3.9333 3.9333 4.5162 4.5162 7.5783 7.5783 8.2661 8.2661 13.7719 13.7719 14.7923 14.7923 15.3383 15.3383 16.4892 16.4892 k = 0.5000 0.2887 0.2254 ( 2166 PWs) bands (ev): -6.6523 -6.6523 -6.6426 -6.6426 -6.5912 -6.5912 -6.5880 -6.5880 -4.1816 -4.1816 -4.1538 -4.1538 -4.0906 -4.0906 -4.0555 -4.0555 -3.9349 -3.9349 -3.8669 -3.8669 3.8894 3.8894 4.5433 4.5433 7.5826 7.5826 8.3541 8.3541 13.6462 13.6462 14.7279 14.7279 15.3094 15.3094 16.5012 16.5012 k = 0.5000 0.2887 0.2147 ( 2158 PWs) bands (ev): -6.6525 -6.6525 -6.6418 -6.6418 -6.5916 -6.5916 -6.5881 -6.5881 -4.1822 -4.1822 -4.1518 -4.1518 -4.0921 -4.0921 -4.0531 -4.0531 -3.9397 -3.9397 -3.8641 -3.8641 3.8465 3.8465 4.5670 4.5670 7.5954 7.5954 8.4451 8.4451 13.5155 13.5155 14.6465 14.6465 15.2834 15.2834 16.5096 16.5096 k = 0.5000 0.2887 0.2039 ( 2158 PWs) bands (ev): -6.6528 -6.6528 -6.6411 -6.6411 -6.5920 -6.5920 -6.5882 -6.5882 -4.1826 -4.1826 -4.1498 -4.1498 -4.0935 -4.0935 -4.0508 -4.0508 -3.9444 -3.9444 -3.8616 -3.8616 3.8050 3.8050 4.5874 4.5874 7.6166 7.6166 8.5387 8.5387 13.3800 13.3800 14.5580 14.5580 15.2483 15.2483 16.5211 16.5211 k = 0.5000 0.2887 0.1932 ( 2146 PWs) bands (ev): -6.6529 -6.6529 -6.6403 -6.6403 -6.5924 -6.5924 -6.5884 -6.5884 -4.1828 -4.1828 -4.1480 -4.1480 -4.0948 -4.0948 -4.0486 -4.0486 -3.9490 -3.9490 -3.8593 -3.8593 3.7648 3.7648 4.6046 4.6046 7.6460 7.6460 8.6346 8.6346 13.2402 13.2402 14.4684 14.4684 15.1974 15.1974 16.5407 16.5407 k = 0.5000 0.2887 0.1825 ( 2158 PWs) bands (ev): -6.6531 -6.6531 -6.6395 -6.6395 -6.5929 -6.5929 -6.5886 -6.5886 -4.1828 -4.1828 -4.1464 -4.1464 -4.0959 -4.0959 -4.0467 -4.0467 -3.9533 -3.9533 -3.8572 -3.8572 3.7263 3.7263 4.6185 4.6185 7.6833 7.6833 8.7321 8.7321 13.0969 13.0969 14.3809 14.3809 15.1286 15.1286 16.5708 16.5708 k = 0.5000 0.2887 0.1717 ( 2154 PWs) bands (ev): -6.6532 -6.6532 -6.6387 -6.6387 -6.5933 -6.5933 -6.5888 -6.5888 -4.1826 -4.1826 -4.1449 -4.1449 -4.0969 -4.0969 -4.0450 -4.0450 -3.9573 -3.9573 -3.8554 -3.8554 3.6894 3.6894 4.6294 4.6294 7.7283 7.7283 8.8308 8.8308 12.9510 12.9510 14.2973 14.2973 15.0429 15.0429 16.6117 16.6117 k = 0.5000 0.2887 0.1610 ( 2160 PWs) bands (ev): -6.6532 -6.6532 -6.6380 -6.6380 -6.5937 -6.5937 -6.5891 -6.5891 -4.1822 -4.1822 -4.1436 -4.1436 -4.0978 -4.0978 -4.0436 -4.0436 -3.9609 -3.9609 -3.8537 -3.8537 3.6543 3.6543 4.6375 4.6375 7.7804 7.7804 8.9301 8.9301 12.8035 12.8035 14.2181 14.2181 14.9434 14.9434 16.6619 16.6619 k = 0.5000 0.2887 0.1503 ( 2164 PWs) bands (ev): -6.6533 -6.6533 -6.6373 -6.6373 -6.5941 -6.5941 -6.5893 -6.5893 -4.1817 -4.1817 -4.1424 -4.1424 -4.0985 -4.0985 -4.0426 -4.0426 -3.9642 -3.9642 -3.8523 -3.8523 3.6211 3.6211 4.6432 4.6432 7.8392 7.8392 9.0292 9.0292 12.6556 12.6556 14.1437 14.1437 14.8337 14.8337 16.7193 16.7193 k = 0.5000 0.2887 0.1395 ( 2164 PWs) bands (ev): -6.6533 -6.6533 -6.6366 -6.6366 -6.5945 -6.5945 -6.5896 -6.5896 -4.1809 -4.1809 -4.1415 -4.1415 -4.0991 -4.0991 -4.0420 -4.0420 -3.9669 -3.9669 -3.8510 -3.8510 3.5898 3.5898 4.6466 4.6466 7.9039 7.9039 9.1275 9.1275 12.5086 12.5086 14.0737 14.0737 14.7174 14.7174 16.7817 16.7817 k = 0.5000 0.2887 0.1288 ( 2160 PWs) bands (ev): -6.6532 -6.6532 -6.6360 -6.6360 -6.5948 -6.5948 -6.5899 -6.5899 -4.1800 -4.1800 -4.1408 -4.1408 -4.0995 -4.0995 -4.0419 -4.0419 -3.9691 -3.9691 -3.8499 -3.8499 3.5607 3.5607 4.6482 4.6482 7.9738 7.9738 9.2240 9.2240 12.3637 12.3637 14.0078 14.0078 14.5980 14.5980 16.8470 16.8470 k = 0.5000 0.2887 0.1181 ( 2156 PWs) bands (ev): -6.6532 -6.6532 -6.6353 -6.6353 -6.5952 -6.5952 -6.5902 -6.5902 -4.1789 -4.1789 -4.1403 -4.1403 -4.0997 -4.0997 -4.0422 -4.0422 -3.9708 -3.9708 -3.8490 -3.8490 3.5336 3.5336 4.6483 4.6483 8.0481 8.0481 9.3177 9.3177 12.2224 12.2224 13.9454 13.9454 14.4787 14.4787 16.9133 16.9133 k = 0.5000 0.2887 0.1073 ( 2158 PWs) bands (ev): -6.6531 -6.6531 -6.6348 -6.6348 -6.5955 -6.5955 -6.5905 -6.5905 -4.1776 -4.1776 -4.1400 -4.1400 -4.0998 -4.0998 -4.0430 -4.0430 -3.9720 -3.9720 -3.8483 -3.8483 3.5088 3.5088 4.6472 4.6472 8.1258 8.1258 9.4075 9.4075 12.0862 12.0862 13.8854 13.8854 14.3628 14.3628 16.9791 16.9791 k = 0.5000 0.2887 0.0966 ( 2162 PWs) bands (ev): -6.6530 -6.6530 -6.6342 -6.6342 -6.5958 -6.5958 -6.5908 -6.5908 -4.1763 -4.1763 -4.1400 -4.1400 -4.0998 -4.0998 -4.0441 -4.0441 -3.9727 -3.9727 -3.8477 -3.8477 3.4861 3.4861 4.6452 4.6452 8.2058 8.2058 9.4919 9.4919 11.9566 11.9566 13.8267 13.8267 14.2534 14.2534 17.0430 17.0430 k = 0.5000 0.2887 0.0859 ( 2158 PWs) bands (ev): -6.6530 -6.6530 -6.6337 -6.6337 -6.5960 -6.5960 -6.5911 -6.5911 -4.1749 -4.1749 -4.1401 -4.1401 -4.0996 -4.0996 -4.0455 -4.0455 -3.9730 -3.9730 -3.8472 -3.8472 3.4658 3.4658 4.6426 4.6426 8.2868 8.2868 9.5695 9.5695 11.8355 11.8355 13.7681 13.7681 14.1537 14.1537 17.1038 17.1038 k = 0.5000 0.2887 0.0751 ( 2154 PWs) bands (ev): -6.6529 -6.6529 -6.6333 -6.6333 -6.5963 -6.5963 -6.5914 -6.5914 -4.1734 -4.1734 -4.1404 -4.1404 -4.0994 -4.0994 -4.0471 -4.0471 -3.9730 -3.9730 -3.8468 -3.8468 3.4477 3.4477 4.6397 4.6397 8.3672 8.3672 9.6388 9.6388 11.7247 11.7247 13.7084 13.7084 14.0669 14.0669 17.1603 17.1603 k = 0.5000 0.2887 0.0644 ( 2158 PWs) bands (ev): -6.6528 -6.6528 -6.6329 -6.6329 -6.5965 -6.5965 -6.5917 -6.5917 -4.1719 -4.1719 -4.1409 -4.1409 -4.0991 -4.0991 -4.0487 -4.0487 -3.9729 -3.9729 -3.8466 -3.8466 3.4320 3.4320 4.6367 4.6367 8.4452 8.4452 9.6983 9.6983 11.6261 11.6261 13.6475 13.6475 13.9948 13.9948 17.2114 17.2114 k = 0.5000 0.2887 0.0537 ( 2158 PWs) bands (ev): -6.6527 -6.6527 -6.6325 -6.6325 -6.5967 -6.5967 -6.5919 -6.5919 -4.1705 -4.1705 -4.1415 -4.1415 -4.0987 -4.0987 -4.0503 -4.0503 -3.9726 -3.9726 -3.8463 -3.8463 3.4187 3.4187 4.6338 4.6338 8.5187 8.5187 9.7469 9.7469 11.5413 11.5413 13.5871 13.5871 13.9379 13.9379 17.2564 17.2564 k = 0.5000 0.2887 0.0429 ( 2158 PWs) bands (ev): -6.6526 -6.6526 -6.6323 -6.6323 -6.5968 -6.5968 -6.5921 -6.5921 -4.1691 -4.1691 -4.1421 -4.1421 -4.0984 -4.0984 -4.0518 -4.0518 -3.9722 -3.9722 -3.8462 -3.8462 3.4078 3.4078 4.6311 4.6311 8.5850 8.5850 9.7840 9.7840 11.4717 11.4717 13.5305 13.5305 13.8948 13.8948 17.2944 17.2944 k = 0.5000 0.2887 0.0322 ( 2162 PWs) bands (ev): -6.6526 -6.6526 -6.6320 -6.6320 -6.5969 -6.5969 -6.5923 -6.5923 -4.1679 -4.1679 -4.1427 -4.1427 -4.0980 -4.0980 -4.0530 -4.0530 -3.9719 -3.9719 -3.8461 -3.8461 3.3992 3.3992 4.6290 4.6290 8.6413 8.6413 9.8102 9.8102 11.4180 11.4180 13.4815 13.4815 13.8636 13.8636 17.3246 17.3246 k = 0.5000 0.2887 0.0215 ( 2160 PWs) bands (ev): -6.6525 -6.6525 -6.6319 -6.6319 -6.5970 -6.5970 -6.5924 -6.5924 -4.1670 -4.1670 -4.1432 -4.1432 -4.0978 -4.0978 -4.0540 -4.0540 -3.9716 -3.9716 -3.8460 -3.8460 3.3931 3.3931 4.6273 4.6273 8.6846 8.6846 9.8267 9.8267 11.3802 11.3802 13.4438 13.4438 13.8425 13.8425 17.3467 17.3467 k = 0.5000 0.2887 0.0107 ( 2164 PWs) bands (ev): -6.6525 -6.6525 -6.6318 -6.6318 -6.5971 -6.5971 -6.5925 -6.5925 -4.1664 -4.1664 -4.1435 -4.1435 -4.0976 -4.0976 -4.0546 -4.0546 -3.9714 -3.9714 -3.8460 -3.8460 3.3895 3.3895 4.6263 4.6263 8.7120 8.7120 9.8354 9.8354 11.3579 11.3579 13.4200 13.4200 13.8304 13.8304 17.3600 17.3600 k = 0.5000 0.2887-0.0000 ( 2164 PWs) bands (ev): -6.6525 -6.6525 -6.6318 -6.6318 -6.5971 -6.5971 -6.5925 -6.5925 -4.1662 -4.1662 -4.1437 -4.1437 -4.0975 -4.0975 -4.0548 -4.0548 -3.9714 -3.9714 -3.8460 -3.8460 3.3883 3.3883 4.6260 4.6260 8.7213 8.7213 9.8381 9.8381 11.3505 11.3505 13.4119 13.4119 13.8264 13.8264 17.3645 17.3645 k = 0.3333 0.5774-0.0000 ( 2163 PWs) bands (ev): -6.6310 -6.6310 -6.6207 -6.6207 -6.5953 -6.5953 -6.5940 -6.5940 -4.1367 -4.1367 -4.1334 -4.1334 -4.0932 -4.0932 -4.0120 -4.0120 -3.9658 -3.9658 -3.9375 -3.9375 4.4567 4.4567 4.5061 4.5061 8.6283 8.6283 10.5059 10.5059 11.7127 11.7127 12.1081 12.1081 12.9744 12.9744 13.2832 13.2832 k = 0.3333 0.5774 0.0107 ( 2157 PWs) bands (ev): -6.6310 -6.6310 -6.6207 -6.6207 -6.5957 -6.5957 -6.5935 -6.5935 -4.1371 -4.1371 -4.1333 -4.1333 -4.0929 -4.0929 -4.0120 -4.0120 -3.9657 -3.9657 -3.9376 -3.9376 4.4575 4.4575 4.5069 4.5069 8.6298 8.6298 10.4957 10.4957 11.6798 11.6798 12.1278 12.1278 12.9879 12.9879 13.2936 13.2936 k = 0.3333 0.5774 0.0215 ( 2157 PWs) bands (ev): -6.6311 -6.6311 -6.6208 -6.6208 -6.5964 -6.5964 -6.5926 -6.5926 -4.1382 -4.1382 -4.1328 -4.1328 -4.0920 -4.0920 -4.0123 -4.0123 -3.9654 -3.9654 -3.9380 -3.9380 4.4600 4.4600 4.5091 4.5091 8.6343 8.6343 10.4655 10.4655 11.5984 11.5984 12.1696 12.1696 13.0275 13.0275 13.3254 13.3254 k = 0.3333 0.5774 0.0322 ( 2151 PWs) bands (ev): -6.6313 -6.6313 -6.6209 -6.6209 -6.5971 -6.5971 -6.5916 -6.5916 -4.1400 -4.1400 -4.1320 -4.1320 -4.0906 -4.0906 -4.0127 -4.0127 -3.9649 -3.9649 -3.9386 -3.9386 4.4640 4.4640 4.5128 4.5128 8.6418 8.6418 10.4175 10.4175 11.4925 11.4925 12.2082 12.2082 13.0915 13.0915 13.3802 13.3802 k = 0.3333 0.5774 0.0429 ( 2151 PWs) bands (ev): -6.6316 -6.6316 -6.6211 -6.6211 -6.5978 -6.5978 -6.5905 -6.5905 -4.1423 -4.1423 -4.1308 -4.1308 -4.0889 -4.0889 -4.0132 -4.0132 -3.9642 -3.9642 -3.9395 -3.9395 4.4696 4.4696 4.5179 4.5179 8.6522 8.6522 10.3542 10.3542 11.3750 11.3750 12.2308 12.2308 13.1770 13.1770 13.4587 13.4587 k = 0.3333 0.5774 0.0537 ( 2157 PWs) bands (ev): -6.6319 -6.6319 -6.6213 -6.6213 -6.5983 -6.5983 -6.5894 -6.5894 -4.1450 -4.1450 -4.1294 -4.1294 -4.0871 -4.0871 -4.0139 -4.0139 -3.9633 -3.9633 -3.9407 -3.9407 4.4767 4.4767 4.5244 4.5244 8.6655 8.6655 10.2787 10.2787 11.2522 11.2522 12.2329 12.2329 13.2811 13.2811 13.5599 13.5599 k = 0.3333 0.5774 0.0644 ( 2151 PWs) bands (ev): -6.6322 -6.6322 -6.6215 -6.6215 -6.5988 -6.5988 -6.5883 -6.5883 -4.1479 -4.1479 -4.1277 -4.1277 -4.0851 -4.0851 -4.0145 -4.0145 -3.9623 -3.9623 -3.9421 -3.9421 4.4853 4.4853 4.5323 4.5323 8.6817 8.6817 10.1937 10.1937 11.1275 11.1275 12.2149 12.2149 13.4010 13.4010 13.6810 13.6810 k = 0.3333 0.5774 0.0751 ( 2151 PWs) bands (ev): -6.6327 -6.6327 -6.6218 -6.6218 -6.5991 -6.5991 -6.5872 -6.5872 -4.1510 -4.1510 -4.1257 -4.1257 -4.0833 -4.0833 -4.0152 -4.0152 -3.9611 -3.9611 -3.9437 -3.9437 4.4954 4.4954 4.5414 4.5414 8.7006 8.7006 10.1019 10.1019 11.0030 11.0030 12.1794 12.1794 13.5339 13.5339 13.8185 13.8185 k = 0.3333 0.5774 0.0859 ( 2157 PWs) bands (ev): -6.6332 -6.6332 -6.6221 -6.6221 -6.5994 -6.5994 -6.5860 -6.5860 -4.1541 -4.1541 -4.1233 -4.1233 -4.0816 -4.0816 -4.0159 -4.0159 -3.9599 -3.9599 -3.9456 -3.9456 4.5067 4.5067 4.5518 4.5518 8.7221 8.7221 10.0055 10.0055 10.8801 10.8801 12.1295 12.1295 13.6776 13.6776 13.9690 13.9690 k = 0.3333 0.5774 0.0966 ( 2157 PWs) bands (ev): -6.6337 -6.6337 -6.6225 -6.6225 -6.5996 -6.5996 -6.5849 -6.5849 -4.1573 -4.1573 -4.1207 -4.1207 -4.0802 -4.0802 -4.0165 -4.0165 -3.9585 -3.9585 -3.9477 -3.9477 4.5193 4.5193 4.5632 4.5632 8.7461 8.7461 9.9062 9.9062 10.7598 10.7598 12.0681 12.0681 13.8302 13.8302 14.1296 14.1296 k = 0.3333 0.5774 0.1073 ( 2157 PWs) bands (ev): -6.6343 -6.6343 -6.6229 -6.6229 -6.5997 -6.5997 -6.5838 -6.5838 -4.1604 -4.1604 -4.1178 -4.1178 -4.0790 -4.0790 -4.0171 -4.0171 -3.9570 -3.9570 -3.9501 -3.9501 4.5331 4.5331 4.5757 4.5757 8.7725 8.7725 9.8057 9.8057 10.6430 10.6430 11.9977 11.9977 13.9901 13.9901 14.2982 14.2982 k = 0.3333 0.5774 0.1181 ( 2157 PWs) bands (ev): -6.6349 -6.6349 -6.6233 -6.6233 -6.5997 -6.5997 -6.5827 -6.5827 -4.1635 -4.1635 -4.1147 -4.1147 -4.0782 -4.0782 -4.0175 -4.0175 -3.9555 -3.9555 -3.9526 -3.9526 4.5478 4.5478 4.5890 4.5890 8.8010 8.8010 9.7051 9.7051 10.5304 10.5304 11.9202 11.9202 14.1559 14.1559 14.4728 14.4728 k = 0.3333 0.5774 0.1288 ( 2160 PWs) bands (ev): -6.6355 -6.6355 -6.6237 -6.6237 -6.5997 -6.5997 -6.5816 -6.5816 -4.1665 -4.1665 -4.1113 -4.1113 -4.0776 -4.0776 -4.0177 -4.0177 -3.9554 -3.9554 -3.9539 -3.9539 4.5635 4.5635 4.6031 4.6031 8.8314 8.8314 9.6055 9.6055 10.4226 10.4226 11.8374 11.8374 14.3265 14.3265 14.6521 14.6521 k = 0.3333 0.5774 0.1395 ( 2160 PWs) bands (ev): -6.6362 -6.6362 -6.6241 -6.6241 -6.5996 -6.5996 -6.5806 -6.5806 -4.1693 -4.1693 -4.1077 -4.1077 -4.0775 -4.0775 -4.0178 -4.0178 -3.9585 -3.9585 -3.9523 -3.9523 4.5799 4.5799 4.6178 4.6178 8.8632 8.8632 9.5077 9.5077 10.3203 10.3203 11.7505 11.7505 14.5007 14.5007 14.8349 14.8349 k = 0.3333 0.5774 0.1503 ( 2166 PWs) bands (ev): -6.6368 -6.6368 -6.6245 -6.6245 -6.5994 -6.5994 -6.5796 -6.5796 -4.1721 -4.1721 -4.1039 -4.1039 -4.0776 -4.0776 -4.0178 -4.0178 -3.9617 -3.9617 -3.9506 -3.9506 4.5969 4.5969 4.6330 4.6330 8.8961 8.8961 9.4125 9.4125 10.2243 10.2243 11.6607 11.6607 14.6775 14.6775 15.0201 15.0201 k = 0.3333 0.5774 0.1610 ( 2175 PWs) bands (ev): -6.6375 -6.6375 -6.6250 -6.6250 -6.5992 -6.5992 -6.5786 -6.5786 -4.1747 -4.1747 -4.0998 -4.0998 -4.0780 -4.0780 -4.0177 -4.0177 -3.9652 -3.9652 -3.9490 -3.9490 4.6143 4.6143 4.6485 4.6485 8.9295 8.9295 9.3205 9.3205 10.1353 10.1353 11.5688 11.5688 14.8560 14.8560 15.2068 15.2068 k = 0.3333 0.5774 0.1717 ( 2172 PWs) bands (ev): -6.6381 -6.6381 -6.6254 -6.6254 -6.5990 -6.5990 -6.5777 -6.5777 -4.1771 -4.1771 -4.0956 -4.0956 -4.0787 -4.0787 -4.0174 -4.0174 -3.9688 -3.9688 -3.9473 -3.9473 4.6319 4.6319 4.6642 4.6642 8.9626 8.9626 9.2324 9.2324 10.0543 10.0543 11.4759 11.4759 15.0351 15.0351 15.3940 15.3940 k = 0.3333 0.5774 0.1825 ( 2175 PWs) bands (ev): -6.6388 -6.6388 -6.6259 -6.6259 -6.5987 -6.5987 -6.5769 -6.5769 -4.1793 -4.1793 -4.0911 -4.0911 -4.0795 -4.0795 -4.0171 -4.0171 -3.9726 -3.9726 -3.9457 -3.9457 4.6495 4.6495 4.6798 4.6798 8.9945 8.9945 9.1485 9.1485 9.9823 9.9823 11.3824 11.3824 15.2137 15.2137 15.5808 15.5808 k = 0.3333 0.5774 0.1932 ( 2178 PWs) bands (ev): -6.6394 -6.6394 -6.6263 -6.6263 -6.5985 -6.5985 -6.5761 -6.5761 -4.1814 -4.1814 -4.0866 -4.0866 -4.0805 -4.0805 -4.0167 -4.0167 -3.9766 -3.9766 -3.9442 -3.9442 4.6669 4.6669 4.6951 4.6951 9.0240 9.0240 9.0695 9.0695 9.9206 9.9206 11.2892 11.2892 15.3907 15.3907 15.7659 15.7659 k = 0.3333 0.5774 0.2039 ( 2175 PWs) bands (ev): -6.6399 -6.6399 -6.6267 -6.6267 -6.5982 -6.5982 -6.5753 -6.5753 -4.1833 -4.1833 -4.0818 -4.0818 -4.0816 -4.0816 -4.0163 -4.0163 -3.9808 -3.9808 -3.9427 -3.9427 4.6838 4.6838 4.7100 4.7100 8.9956 8.9956 9.0498 9.0498 9.8705 9.8705 11.1969 11.1969 15.5647 15.5647 15.9481 15.9481 k = 0.3333 0.5774 0.2147 ( 2163 PWs) bands (ev): -6.6405 -6.6405 -6.6270 -6.6270 -6.5979 -6.5979 -6.5746 -6.5746 -4.1850 -4.1850 -4.0828 -4.0828 -4.0770 -4.0770 -4.0158 -4.0158 -3.9851 -3.9851 -3.9413 -3.9413 4.7001 4.7001 4.7243 4.7243 8.9275 8.9275 9.0706 9.0706 9.8333 9.8333 11.1061 11.1061 15.7341 15.7341 16.1259 16.1259 k = 0.3333 0.5774 0.2254 ( 2169 PWs) bands (ev): -6.6409 -6.6409 -6.6274 -6.6274 -6.5976 -6.5976 -6.5740 -6.5740 -4.1865 -4.1865 -4.0839 -4.0839 -4.0720 -4.0720 -4.0154 -4.0154 -3.9896 -3.9896 -3.9400 -3.9400 4.7155 4.7155 4.7378 4.7378 8.8653 8.8653 9.0852 9.0852 9.8098 9.8098 11.0176 11.0176 15.8971 15.8971 16.2975 16.2975 k = 0.3333 0.5774 0.2361 ( 2169 PWs) bands (ev): -6.6414 -6.6414 -6.6277 -6.6277 -6.5974 -6.5974 -6.5735 -6.5735 -4.1879 -4.1879 -4.0851 -4.0851 -4.0670 -4.0670 -4.0150 -4.0150 -3.9942 -3.9942 -3.9388 -3.9388 4.7298 4.7298 4.7502 4.7502 8.8095 8.8095 9.0932 9.0932 9.8003 9.8003 10.9322 10.9322 16.0516 16.0516 16.4608 16.4608 k = 0.3333 0.5774 0.2469 ( 2169 PWs) bands (ev): -6.6418 -6.6418 -6.6280 -6.6280 -6.5971 -6.5971 -6.5730 -6.5730 -4.1890 -4.1890 -4.0861 -4.0861 -4.0619 -4.0619 -4.0146 -4.0146 -3.9989 -3.9989 -3.9377 -3.9377 4.7428 4.7428 4.7614 4.7614 8.7605 8.7605 9.0952 9.0952 9.8034 9.8034 10.8508 10.8508 16.1951 16.1951 16.6131 16.6131 k = 0.3333 0.5774 0.2576 ( 2169 PWs) bands (ev): -6.6421 -6.6421 -6.6282 -6.6282 -6.5969 -6.5969 -6.5726 -6.5726 -4.1900 -4.1900 -4.0871 -4.0871 -4.0567 -4.0567 -4.0143 -4.0143 -4.0038 -4.0038 -3.9368 -3.9368 4.7541 4.7541 4.7712 4.7712 8.7184 8.7184 9.0926 9.0926 9.8169 9.8169 10.7748 10.7748 16.3248 16.3248 16.7515 16.7515 k = 0.3333 0.5774 0.2683 ( 2169 PWs) bands (ev): -6.6424 -6.6424 -6.6284 -6.6284 -6.5967 -6.5967 -6.5723 -6.5723 -4.1908 -4.1908 -4.0879 -4.0879 -4.0515 -4.0515 -4.0140 -4.0140 -4.0087 -4.0087 -3.9360 -3.9360 4.7637 4.7637 4.7794 4.7794 8.6836 8.6836 9.0872 9.0872 9.8375 9.8375 10.7060 10.7060 16.4374 16.4374 16.8724 16.8724 k = 0.3333 0.5774 0.2791 ( 2175 PWs) bands (ev): -6.6426 -6.6426 -6.6286 -6.6286 -6.5966 -6.5966 -6.5720 -6.5720 -4.1914 -4.1914 -4.0885 -4.0885 -4.0464 -4.0464 -4.0138 -4.0138 -4.0136 -4.0136 -3.9354 -3.9354 4.7713 4.7713 4.7860 4.7860 8.6563 8.6563 9.0809 9.0809 9.8611 9.8611 10.6467 10.6467 16.5298 16.5298 16.9722 16.9722 k = 0.3333 0.5774 0.2898 ( 2181 PWs) bands (ev): -6.6428 -6.6428 -6.6287 -6.6287 -6.5965 -6.5965 -6.5718 -6.5718 -4.1918 -4.1918 -4.0890 -4.0890 -4.0413 -4.0413 -4.0185 -4.0185 -4.0136 -4.0136 -3.9350 -3.9350 4.7769 4.7769 4.7908 4.7908 8.6367 8.6367 9.0752 9.0752 9.8831 9.8831 10.6001 10.6001 16.5986 16.5986 17.0469 17.0469 k = 0.3333 0.5774 0.3005 ( 2178 PWs) bands (ev): -6.6428 -6.6428 -6.6288 -6.6288 -6.5964 -6.5964 -6.5717 -6.5717 -4.1921 -4.1921 -4.0893 -4.0893 -4.0367 -4.0367 -4.0230 -4.0230 -4.0135 -4.0135 -3.9347 -3.9347 4.7803 4.7803 4.7937 4.7937 8.6248 8.6248 9.0714 9.0714 9.8990 9.8990 10.5699 10.5699 16.6412 16.6412 17.0933 17.0933 k = 0.3333 0.5774 0.3113 ( 2184 PWs) bands (ev): -6.6429 -6.6429 -6.6288 -6.6288 -6.5964 -6.5964 -6.5717 -6.5717 -4.1922 -4.1922 -4.0894 -4.0894 -4.0342 -4.0342 -4.0254 -4.0254 -4.0135 -4.0135 -3.9346 -3.9346 4.7814 4.7814 4.7947 4.7947 8.6209 8.6209 9.0700 9.0700 9.9048 9.9048 10.5594 10.5594 16.6556 16.6556 17.1091 17.1091 Writing output data file Pb.save init_run : 0.09s CPU 0.19s WALL ( 1 calls) electrons : 58.32s CPU 59.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 58.32s CPU 59.60s 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 : 0.00s CPU 0.02s WALL ( 386 calls) cegterg : 53.40s CPU 54.30s WALL ( 419 calls) Called by sum_band: Called by *egterg: h_psi : 27.99s CPU 28.95s WALL ( 6002 calls) s_psi : 1.02s CPU 1.18s WALL ( 6002 calls) g_psi : 0.06s CPU 0.08s WALL ( 5197 calls) cdiaghg : 23.73s CPU 23.52s WALL ( 5583 calls) cegterg:over : 1.75s CPU 1.79s WALL ( 5197 calls) cegterg:upda : 1.10s CPU 1.21s WALL ( 5197 calls) cegterg:last : 0.77s CPU 0.79s WALL ( 1096 calls) cdiaghg:chol : 1.10s CPU 1.19s WALL ( 5583 calls) cdiaghg:inve : 0.62s CPU 0.65s WALL ( 5583 calls) cdiaghg:para : 1.17s CPU 1.38s WALL ( 11166 calls) Called by h_psi: h_psi:vloc : 25.20s CPU 26.10s WALL ( 6002 calls) h_psi:vnl : 2.76s CPU 2.82s WALL ( 6002 calls) add_vuspsi : 1.61s CPU 1.56s WALL ( 6002 calls) General routines calbec : 1.14s CPU 1.25s WALL ( 6002 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.94s CPU 24.75s WALL ( 478528 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.12s WALL ( 772 calls) Parallel routines fft_scatter : 10.01s CPU 10.42s WALL ( 478551 calls) PWSCF : 1m 7.98s CPU 1m19.37s WALL This run was terminated on: 21: 5:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=