Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:24:11 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: ./FeS.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 14 4 667 450 74 Max 20 15 5 677 469 81 Sum 685 517 163 24185 16451 2779 bravais-lattice index = 14 lattice parameter (alat) = 6.4818 a.u. unit-cell volume = 390.5384 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.481760 celldm(2)= 1.000000 celldm(3)= 1.655977 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 1.655977 ) 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 0.603873 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 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 ) ( -0.8279883 ) 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 ) ( 0.8279883 ) 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 ) ( -0.8279883 ) 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 ) ( -0.8279883 ) 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 ) ( 0.8279883 ) 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 ) ( 0.8279883 ) 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 ) ( 0.8279883 ) 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 ) ( -0.8279883 ) 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 ) ( 0.8279883 ) 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 ) ( 0.8279883 ) 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 ) ( -0.8279883 ) 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 ) ( -0.8279883 ) 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= 385 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0025974 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0025974 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0025974 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0025974 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0025974 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0025974 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0025974 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0025974 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0025974 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0025974 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0025974 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0025974 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0025974 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0025974 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0025974 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0025974 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0025974 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0025974 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0025974 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0025974 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0025974 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0025974 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0025974 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0025974 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0025974 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0025974 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0025974 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0025974 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0025974 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0025974 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0025974 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0025974 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0025974 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0025974 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0025974 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0025974 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0025974 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0025974 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0025974 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0025974 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0025974 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0025974 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0025974 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0025974 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0025974 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0025974 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0025974 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0025974 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0025974 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0025974 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0025974 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0025974 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025974 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025974 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0025974 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0025974 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0025974 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0025974 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0025974 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0025974 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0025974 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0025974 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0025974 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0025974 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0025974 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0025974 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0025974 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0025974 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0025974 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0025974 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0025974 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0025974 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0025974 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0025974 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0025974 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0025974 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0025974 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0025974 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0025974 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0025974 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0025974 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0025974 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0025974 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0025974 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025974 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025974 k( 88) = ( 0.3279570 0.5680382 -0.0000000), wk = 0.0025974 k( 89) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0025974 k( 90) = ( 0.3172043 0.5494140 -0.0000000), wk = 0.0025974 k( 91) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0025974 k( 92) = ( 0.3064516 0.5307898 -0.0000000), wk = 0.0025974 k( 93) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0025974 k( 94) = ( 0.2956989 0.5121656 -0.0000000), wk = 0.0025974 k( 95) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0025974 k( 96) = ( 0.2849462 0.4935414 -0.0000000), wk = 0.0025974 k( 97) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0025974 k( 98) = ( 0.2741936 0.4749172 -0.0000000), wk = 0.0025974 k( 99) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0025974 k( 100) = ( 0.2634409 0.4562930 -0.0000000), wk = 0.0025974 k( 101) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0025974 k( 102) = ( 0.2526882 0.4376687 -0.0000000), wk = 0.0025974 k( 103) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0025974 k( 104) = ( 0.2419355 0.4190445 -0.0000000), wk = 0.0025974 k( 105) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0025974 k( 106) = ( 0.2311828 0.4004204 -0.0000000), wk = 0.0025974 k( 107) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0025974 k( 108) = ( 0.2204301 0.3817962 -0.0000000), wk = 0.0025974 k( 109) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0025974 k( 110) = ( 0.2096774 0.3631719 -0.0000000), wk = 0.0025974 k( 111) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0025974 k( 112) = ( 0.1989247 0.3445477 -0.0000000), wk = 0.0025974 k( 113) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0025974 k( 114) = ( 0.1881720 0.3259235 -0.0000000), wk = 0.0025974 k( 115) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0025974 k( 116) = ( 0.1774194 0.3072993 -0.0000000), wk = 0.0025974 k( 117) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0025974 k( 118) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025974 k( 119) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0025974 k( 120) = ( 0.1559140 0.2700509 -0.0000000), wk = 0.0025974 k( 121) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0025974 k( 122) = ( 0.1451613 0.2514267 -0.0000000), wk = 0.0025974 k( 123) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0025974 k( 124) = ( 0.1344086 0.2328025 -0.0000000), wk = 0.0025974 k( 125) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0025974 k( 126) = ( 0.1236559 0.2141783 -0.0000000), wk = 0.0025974 k( 127) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0025974 k( 128) = ( 0.1129032 0.1955541 -0.0000000), wk = 0.0025974 k( 129) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0025974 k( 130) = ( 0.1021505 0.1769299 -0.0000000), wk = 0.0025974 k( 131) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0025974 k( 132) = ( 0.0913979 0.1583057 -0.0000000), wk = 0.0025974 k( 133) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0025974 k( 134) = ( 0.0806452 0.1396815 -0.0000000), wk = 0.0025974 k( 135) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0025974 k( 136) = ( 0.0698925 0.1210573 -0.0000000), wk = 0.0025974 k( 137) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0025974 k( 138) = ( 0.0591398 0.1024331 -0.0000000), wk = 0.0025974 k( 139) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0025974 k( 140) = ( 0.0483871 0.0838089 -0.0000000), wk = 0.0025974 k( 141) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0025974 k( 142) = ( 0.0376344 0.0651847 -0.0000000), wk = 0.0025974 k( 143) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0025974 k( 144) = ( 0.0268817 0.0465605 -0.0000000), wk = 0.0025974 k( 145) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0025974 k( 146) = ( 0.0161290 0.0279363 -0.0000000), wk = 0.0025974 k( 147) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0025974 k( 148) = ( 0.0053763 0.0093121 -0.0000000), wk = 0.0025974 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 151) = ( 0.0000000 0.0000000 0.0107834), wk = 0.0025974 k( 152) = ( 0.0000000 0.0000000 0.0215669), wk = 0.0025974 k( 153) = ( 0.0000000 0.0000000 0.0323504), wk = 0.0025974 k( 154) = ( 0.0000000 0.0000000 0.0431338), wk = 0.0025974 k( 155) = ( 0.0000000 0.0000000 0.0539173), wk = 0.0025974 k( 156) = ( 0.0000000 0.0000000 0.0647007), wk = 0.0025974 k( 157) = ( 0.0000000 0.0000000 0.0754842), wk = 0.0025974 k( 158) = ( 0.0000000 0.0000000 0.0862676), wk = 0.0025974 k( 159) = ( 0.0000000 0.0000000 0.0970511), wk = 0.0025974 k( 160) = ( 0.0000000 0.0000000 0.1078345), wk = 0.0025974 k( 161) = ( 0.0000000 0.0000000 0.1186180), wk = 0.0025974 k( 162) = ( 0.0000000 0.0000000 0.1294014), wk = 0.0025974 k( 163) = ( 0.0000000 0.0000000 0.1401849), wk = 0.0025974 k( 164) = ( 0.0000000 0.0000000 0.1509683), wk = 0.0025974 k( 165) = ( 0.0000000 0.0000000 0.1617518), wk = 0.0025974 k( 166) = ( 0.0000000 0.0000000 0.1725352), wk = 0.0025974 k( 167) = ( 0.0000000 0.0000000 0.1833187), wk = 0.0025974 k( 168) = ( 0.0000000 0.0000000 0.1941021), wk = 0.0025974 k( 169) = ( 0.0000000 0.0000000 0.2048856), wk = 0.0025974 k( 170) = ( 0.0000000 0.0000000 0.2156690), wk = 0.0025974 k( 171) = ( 0.0000000 0.0000000 0.2264525), wk = 0.0025974 k( 172) = ( 0.0000000 0.0000000 0.2372359), wk = 0.0025974 k( 173) = ( 0.0000000 0.0000000 0.2480194), wk = 0.0025974 k( 174) = ( 0.0000000 0.0000000 0.2588028), wk = 0.0025974 k( 175) = ( 0.0000000 0.0000000 0.2695863), wk = 0.0025974 k( 176) = ( 0.0000000 0.0000000 0.2803697), wk = 0.0025974 k( 177) = ( 0.0000000 0.0000000 0.2911532), wk = 0.0025974 k( 178) = ( 0.0000000 0.0000000 0.3019366), wk = 0.0025974 k( 179) = ( 0.0000000 0.0000000 0.3019366), wk = 0.0025974 k( 180) = ( 0.0094340 0.0054467 0.3019366), wk = 0.0025974 k( 181) = ( 0.0188679 0.0108934 0.3019366), wk = 0.0025974 k( 182) = ( 0.0283019 0.0163401 0.3019366), wk = 0.0025974 k( 183) = ( 0.0377359 0.0217868 0.3019366), wk = 0.0025974 k( 184) = ( 0.0471698 0.0272335 0.3019366), wk = 0.0025974 k( 185) = ( 0.0566038 0.0326802 0.3019366), wk = 0.0025974 k( 186) = ( 0.0660377 0.0381269 0.3019366), wk = 0.0025974 k( 187) = ( 0.0754717 0.0435736 0.3019366), wk = 0.0025974 k( 188) = ( 0.0849057 0.0490203 0.3019366), wk = 0.0025974 k( 189) = ( 0.0943396 0.0544670 0.3019366), wk = 0.0025974 k( 190) = ( 0.1037736 0.0599137 0.3019366), wk = 0.0025974 k( 191) = ( 0.1132076 0.0653604 0.3019366), wk = 0.0025974 k( 192) = ( 0.1226415 0.0708071 0.3019366), wk = 0.0025974 k( 193) = ( 0.1320755 0.0762538 0.3019366), wk = 0.0025974 k( 194) = ( 0.1415094 0.0817005 0.3019366), wk = 0.0025974 k( 195) = ( 0.1509434 0.0871472 0.3019366), wk = 0.0025974 k( 196) = ( 0.1603774 0.0925939 0.3019366), wk = 0.0025974 k( 197) = ( 0.1698113 0.0980406 0.3019366), wk = 0.0025974 k( 198) = ( 0.1792453 0.1034873 0.3019366), wk = 0.0025974 k( 199) = ( 0.1886792 0.1089340 0.3019366), wk = 0.0025974 k( 200) = ( 0.1981132 0.1143807 0.3019366), wk = 0.0025974 k( 201) = ( 0.2075472 0.1198274 0.3019366), wk = 0.0025974 k( 202) = ( 0.2169811 0.1252741 0.3019366), wk = 0.0025974 k( 203) = ( 0.2264151 0.1307208 0.3019366), wk = 0.0025974 k( 204) = ( 0.2358491 0.1361675 0.3019366), wk = 0.0025974 k( 205) = ( 0.2452830 0.1416142 0.3019366), wk = 0.0025974 k( 206) = ( 0.2547170 0.1470609 0.3019366), wk = 0.0025974 k( 207) = ( 0.2641509 0.1525076 0.3019366), wk = 0.0025974 k( 208) = ( 0.2735849 0.1579543 0.3019366), wk = 0.0025974 k( 209) = ( 0.2830189 0.1634010 0.3019366), wk = 0.0025974 k( 210) = ( 0.2924528 0.1688477 0.3019366), wk = 0.0025974 k( 211) = ( 0.3018868 0.1742944 0.3019366), wk = 0.0025974 k( 212) = ( 0.3113207 0.1797411 0.3019366), wk = 0.0025974 k( 213) = ( 0.3207547 0.1851878 0.3019366), wk = 0.0025974 k( 214) = ( 0.3301887 0.1906345 0.3019366), wk = 0.0025974 k( 215) = ( 0.3396226 0.1960812 0.3019366), wk = 0.0025974 k( 216) = ( 0.3490566 0.2015279 0.3019366), wk = 0.0025974 k( 217) = ( 0.3584906 0.2069746 0.3019366), wk = 0.0025974 k( 218) = ( 0.3679245 0.2124213 0.3019366), wk = 0.0025974 k( 219) = ( 0.3773585 0.2178680 0.3019366), wk = 0.0025974 k( 220) = ( 0.3867925 0.2233147 0.3019366), wk = 0.0025974 k( 221) = ( 0.3962264 0.2287614 0.3019366), wk = 0.0025974 k( 222) = ( 0.4056604 0.2342081 0.3019366), wk = 0.0025974 k( 223) = ( 0.4150943 0.2396548 0.3019366), wk = 0.0025974 k( 224) = ( 0.4245283 0.2451015 0.3019366), wk = 0.0025974 k( 225) = ( 0.4339623 0.2505482 0.3019366), wk = 0.0025974 k( 226) = ( 0.4433962 0.2559949 0.3019366), wk = 0.0025974 k( 227) = ( 0.4528302 0.2614416 0.3019366), wk = 0.0025974 k( 228) = ( 0.4622641 0.2668883 0.3019366), wk = 0.0025974 k( 229) = ( 0.4716981 0.2723350 0.3019366), wk = 0.0025974 k( 230) = ( 0.4811321 0.2777817 0.3019366), wk = 0.0025974 k( 231) = ( 0.4905660 0.2832284 0.3019366), wk = 0.0025974 k( 232) = ( 0.5000000 0.2886751 0.3019366), wk = 0.0025974 k( 233) = ( 0.5000000 0.2886751 0.3019366), wk = 0.0025974 k( 234) = ( 0.4946237 0.2979872 0.3019366), wk = 0.0025974 k( 235) = ( 0.4892473 0.3072993 0.3019366), wk = 0.0025974 k( 236) = ( 0.4838710 0.3166114 0.3019366), wk = 0.0025974 k( 237) = ( 0.4784946 0.3259235 0.3019366), wk = 0.0025974 k( 238) = ( 0.4731183 0.3352356 0.3019366), wk = 0.0025974 k( 239) = ( 0.4677419 0.3445477 0.3019366), wk = 0.0025974 k( 240) = ( 0.4623656 0.3538598 0.3019366), wk = 0.0025974 k( 241) = ( 0.4569893 0.3631720 0.3019366), wk = 0.0025974 k( 242) = ( 0.4516129 0.3724840 0.3019366), wk = 0.0025974 k( 243) = ( 0.4462366 0.3817961 0.3019366), wk = 0.0025974 k( 244) = ( 0.4408602 0.3911082 0.3019366), wk = 0.0025974 k( 245) = ( 0.4354839 0.4004203 0.3019366), wk = 0.0025974 k( 246) = ( 0.4301075 0.4097325 0.3019366), wk = 0.0025974 k( 247) = ( 0.4247312 0.4190445 0.3019366), wk = 0.0025974 k( 248) = ( 0.4193548 0.4283566 0.3019366), wk = 0.0025974 k( 249) = ( 0.4139785 0.4376687 0.3019366), wk = 0.0025974 k( 250) = ( 0.4086021 0.4469809 0.3019366), wk = 0.0025974 k( 251) = ( 0.4032258 0.4562930 0.3019366), wk = 0.0025974 k( 252) = ( 0.3978495 0.4656051 0.3019366), wk = 0.0025974 k( 253) = ( 0.3924731 0.4749172 0.3019366), wk = 0.0025974 k( 254) = ( 0.3870968 0.4842293 0.3019366), wk = 0.0025974 k( 255) = ( 0.3817204 0.4935414 0.3019366), wk = 0.0025974 k( 256) = ( 0.3763441 0.5028535 0.3019366), wk = 0.0025974 k( 257) = ( 0.3709677 0.5121656 0.3019366), wk = 0.0025974 k( 258) = ( 0.3655914 0.5214777 0.3019366), wk = 0.0025974 k( 259) = ( 0.3602150 0.5307898 0.3019366), wk = 0.0025974 k( 260) = ( 0.3548387 0.5401019 0.3019366), wk = 0.0025974 k( 261) = ( 0.3494624 0.5494140 0.3019366), wk = 0.0025974 k( 262) = ( 0.3440860 0.5587261 0.3019366), wk = 0.0025974 k( 263) = ( 0.3387097 0.5680382 0.3019366), wk = 0.0025974 k( 264) = ( 0.3333333 0.5773503 0.3019366), wk = 0.0025974 k( 265) = ( 0.3333333 0.5773503 0.3019366), wk = 0.0025974 k( 266) = ( 0.3279570 0.5680382 0.3019366), wk = 0.0025974 k( 267) = ( 0.3225807 0.5587261 0.3019366), wk = 0.0025974 k( 268) = ( 0.3172043 0.5494140 0.3019366), wk = 0.0025974 k( 269) = ( 0.3118280 0.5401019 0.3019366), wk = 0.0025974 k( 270) = ( 0.3064516 0.5307898 0.3019366), wk = 0.0025974 k( 271) = ( 0.3010753 0.5214777 0.3019366), wk = 0.0025974 k( 272) = ( 0.2956989 0.5121656 0.3019366), wk = 0.0025974 k( 273) = ( 0.2903226 0.5028535 0.3019366), wk = 0.0025974 k( 274) = ( 0.2849462 0.4935414 0.3019366), wk = 0.0025974 k( 275) = ( 0.2795699 0.4842293 0.3019366), wk = 0.0025974 k( 276) = ( 0.2741936 0.4749172 0.3019366), wk = 0.0025974 k( 277) = ( 0.2688172 0.4656050 0.3019366), wk = 0.0025974 k( 278) = ( 0.2634409 0.4562930 0.3019366), wk = 0.0025974 k( 279) = ( 0.2580645 0.4469809 0.3019366), wk = 0.0025974 k( 280) = ( 0.2526882 0.4376687 0.3019366), wk = 0.0025974 k( 281) = ( 0.2473118 0.4283567 0.3019366), wk = 0.0025974 k( 282) = ( 0.2419355 0.4190445 0.3019366), wk = 0.0025974 k( 283) = ( 0.2365591 0.4097324 0.3019366), wk = 0.0025974 k( 284) = ( 0.2311828 0.4004204 0.3019366), wk = 0.0025974 k( 285) = ( 0.2258064 0.3911082 0.3019366), wk = 0.0025974 k( 286) = ( 0.2204301 0.3817962 0.3019366), wk = 0.0025974 k( 287) = ( 0.2150538 0.3724840 0.3019366), wk = 0.0025974 k( 288) = ( 0.2096774 0.3631719 0.3019366), wk = 0.0025974 k( 289) = ( 0.2043011 0.3538599 0.3019366), wk = 0.0025974 k( 290) = ( 0.1989247 0.3445477 0.3019366), wk = 0.0025974 k( 291) = ( 0.1935484 0.3352356 0.3019366), wk = 0.0025974 k( 292) = ( 0.1881720 0.3259235 0.3019366), wk = 0.0025974 k( 293) = ( 0.1827957 0.3166114 0.3019366), wk = 0.0025974 k( 294) = ( 0.1774194 0.3072993 0.3019366), wk = 0.0025974 k( 295) = ( 0.1720430 0.2979872 0.3019366), wk = 0.0025974 k( 296) = ( 0.1666667 0.2886751 0.3019366), wk = 0.0025974 k( 297) = ( 0.1612903 0.2793630 0.3019366), wk = 0.0025974 k( 298) = ( 0.1559140 0.2700509 0.3019366), wk = 0.0025974 k( 299) = ( 0.1505376 0.2607388 0.3019366), wk = 0.0025974 k( 300) = ( 0.1451613 0.2514267 0.3019366), wk = 0.0025974 k( 301) = ( 0.1397849 0.2421146 0.3019366), wk = 0.0025974 k( 302) = ( 0.1344086 0.2328025 0.3019366), wk = 0.0025974 k( 303) = ( 0.1290323 0.2234904 0.3019366), wk = 0.0025974 k( 304) = ( 0.1236559 0.2141783 0.3019366), wk = 0.0025974 k( 305) = ( 0.1182796 0.2048662 0.3019366), wk = 0.0025974 k( 306) = ( 0.1129032 0.1955541 0.3019366), wk = 0.0025974 k( 307) = ( 0.1075269 0.1862420 0.3019366), wk = 0.0025974 k( 308) = ( 0.1021505 0.1769299 0.3019366), wk = 0.0025974 k( 309) = ( 0.0967742 0.1676178 0.3019366), wk = 0.0025974 k( 310) = ( 0.0913979 0.1583057 0.3019366), wk = 0.0025974 k( 311) = ( 0.0860215 0.1489936 0.3019366), wk = 0.0025974 k( 312) = ( 0.0806452 0.1396815 0.3019366), wk = 0.0025974 k( 313) = ( 0.0752688 0.1303694 0.3019366), wk = 0.0025974 k( 314) = ( 0.0698925 0.1210573 0.3019366), wk = 0.0025974 k( 315) = ( 0.0645161 0.1117452 0.3019366), wk = 0.0025974 k( 316) = ( 0.0591398 0.1024331 0.3019366), wk = 0.0025974 k( 317) = ( 0.0537634 0.0931210 0.3019366), wk = 0.0025974 k( 318) = ( 0.0483871 0.0838089 0.3019366), wk = 0.0025974 k( 319) = ( 0.0430108 0.0744968 0.3019366), wk = 0.0025974 k( 320) = ( 0.0376344 0.0651847 0.3019366), wk = 0.0025974 k( 321) = ( 0.0322581 0.0558726 0.3019366), wk = 0.0025974 k( 322) = ( 0.0268817 0.0465605 0.3019366), wk = 0.0025974 k( 323) = ( 0.0215054 0.0372484 0.3019366), wk = 0.0025974 k( 324) = ( 0.0161290 0.0279363 0.3019366), wk = 0.0025974 k( 325) = ( 0.0107527 0.0186242 0.3019366), wk = 0.0025974 k( 326) = ( 0.0053763 0.0093121 0.3019366), wk = 0.0025974 k( 327) = ( 0.0000000 0.0000000 0.3019366), wk = 0.0025974 k( 328) = ( 0.5000000 0.2886751 0.3019366), wk = 0.0025974 k( 329) = ( 0.5000000 0.2886751 0.2911532), wk = 0.0025974 k( 330) = ( 0.5000000 0.2886751 0.2803697), wk = 0.0025974 k( 331) = ( 0.5000000 0.2886751 0.2695863), wk = 0.0025974 k( 332) = ( 0.5000000 0.2886751 0.2588028), wk = 0.0025974 k( 333) = ( 0.5000000 0.2886751 0.2480194), wk = 0.0025974 k( 334) = ( 0.5000000 0.2886751 0.2372359), wk = 0.0025974 k( 335) = ( 0.5000000 0.2886751 0.2264525), wk = 0.0025974 k( 336) = ( 0.5000000 0.2886751 0.2156690), wk = 0.0025974 k( 337) = ( 0.5000000 0.2886751 0.2048856), wk = 0.0025974 k( 338) = ( 0.5000000 0.2886751 0.1941021), wk = 0.0025974 k( 339) = ( 0.5000000 0.2886751 0.1833187), wk = 0.0025974 k( 340) = ( 0.5000000 0.2886751 0.1725352), wk = 0.0025974 k( 341) = ( 0.5000000 0.2886751 0.1617518), wk = 0.0025974 k( 342) = ( 0.5000000 0.2886751 0.1509683), wk = 0.0025974 k( 343) = ( 0.5000000 0.2886751 0.1401849), wk = 0.0025974 k( 344) = ( 0.5000000 0.2886751 0.1294014), wk = 0.0025974 k( 345) = ( 0.5000000 0.2886751 0.1186180), wk = 0.0025974 k( 346) = ( 0.5000000 0.2886751 0.1078345), wk = 0.0025974 k( 347) = ( 0.5000000 0.2886751 0.0970511), wk = 0.0025974 k( 348) = ( 0.5000000 0.2886751 0.0862676), wk = 0.0025974 k( 349) = ( 0.5000000 0.2886751 0.0754842), wk = 0.0025974 k( 350) = ( 0.5000000 0.2886751 0.0647007), wk = 0.0025974 k( 351) = ( 0.5000000 0.2886751 0.0539173), wk = 0.0025974 k( 352) = ( 0.5000000 0.2886751 0.0431338), wk = 0.0025974 k( 353) = ( 0.5000000 0.2886751 0.0323504), wk = 0.0025974 k( 354) = ( 0.5000000 0.2886751 0.0215669), wk = 0.0025974 k( 355) = ( 0.5000000 0.2886751 0.0107834), wk = 0.0025974 k( 356) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025974 k( 357) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025974 k( 358) = ( 0.3333333 0.5773503 0.0107834), wk = 0.0025974 k( 359) = ( 0.3333333 0.5773503 0.0215669), wk = 0.0025974 k( 360) = ( 0.3333333 0.5773503 0.0323504), wk = 0.0025974 k( 361) = ( 0.3333333 0.5773503 0.0431338), wk = 0.0025974 k( 362) = ( 0.3333333 0.5773503 0.0539173), wk = 0.0025974 k( 363) = ( 0.3333333 0.5773503 0.0647007), wk = 0.0025974 k( 364) = ( 0.3333333 0.5773503 0.0754842), wk = 0.0025974 k( 365) = ( 0.3333333 0.5773503 0.0862676), wk = 0.0025974 k( 366) = ( 0.3333333 0.5773503 0.0970511), wk = 0.0025974 k( 367) = ( 0.3333333 0.5773503 0.1078345), wk = 0.0025974 k( 368) = ( 0.3333333 0.5773503 0.1186180), wk = 0.0025974 k( 369) = ( 0.3333333 0.5773503 0.1294014), wk = 0.0025974 k( 370) = ( 0.3333333 0.5773503 0.1401849), wk = 0.0025974 k( 371) = ( 0.3333333 0.5773503 0.1509683), wk = 0.0025974 k( 372) = ( 0.3333333 0.5773503 0.1617518), wk = 0.0025974 k( 373) = ( 0.3333333 0.5773503 0.1725352), wk = 0.0025974 k( 374) = ( 0.3333333 0.5773503 0.1833187), wk = 0.0025974 k( 375) = ( 0.3333333 0.5773503 0.1941021), wk = 0.0025974 k( 376) = ( 0.3333333 0.5773503 0.2048856), wk = 0.0025974 k( 377) = ( 0.3333333 0.5773503 0.2156690), wk = 0.0025974 k( 378) = ( 0.3333333 0.5773503 0.2264525), wk = 0.0025974 k( 379) = ( 0.3333333 0.5773503 0.2372359), wk = 0.0025974 k( 380) = ( 0.3333333 0.5773503 0.2480194), wk = 0.0025974 k( 381) = ( 0.3333333 0.5773503 0.2588028), wk = 0.0025974 k( 382) = ( 0.3333333 0.5773503 0.2695863), wk = 0.0025974 k( 383) = ( 0.3333333 0.5773503 0.2803697), wk = 0.0025974 k( 384) = ( 0.3333333 0.5773503 0.2911532), wk = 0.0025974 k( 385) = ( 0.3333333 0.5773503 0.3019366), wk = 0.0025974 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0094340 -0.0000000 0.0000000), wk = 0.0025974 k( 3) = ( 0.0188679 -0.0000000 0.0000000), wk = 0.0025974 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0025974 k( 5) = ( 0.0377359 -0.0000000 0.0000000), wk = 0.0025974 k( 6) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0025974 k( 7) = ( 0.0566038 -0.0000000 0.0000000), wk = 0.0025974 k( 8) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0025974 k( 9) = ( 0.0754717 -0.0000000 0.0000000), wk = 0.0025974 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0025974 k( 11) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0025974 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0025974 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0025974 k( 14) = ( 0.1226415 -0.0000000 0.0000000), wk = 0.0025974 k( 15) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0025974 k( 16) = ( 0.1415094 0.0000000 0.0000000), wk = 0.0025974 k( 17) = ( 0.1509434 -0.0000000 0.0000000), wk = 0.0025974 k( 18) = ( 0.1603774 -0.0000000 0.0000000), wk = 0.0025974 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0025974 k( 20) = ( 0.1792453 -0.0000000 0.0000000), wk = 0.0025974 k( 21) = ( 0.1886792 0.0000000 0.0000000), wk = 0.0025974 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0025974 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0025974 k( 24) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0025974 k( 25) = ( 0.2264151 -0.0000000 0.0000000), wk = 0.0025974 k( 26) = ( 0.2358491 -0.0000000 -0.0000000), wk = 0.0025974 k( 27) = ( 0.2452830 -0.0000000 0.0000000), wk = 0.0025974 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0025974 k( 29) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0025974 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0025974 k( 31) = ( 0.2830189 -0.0000000 0.0000000), wk = 0.0025974 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0025974 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0025974 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0025974 k( 35) = ( 0.3207547 -0.0000000 0.0000000), wk = 0.0025974 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0025974 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0025974 k( 38) = ( 0.3490566 -0.0000000 0.0000000), wk = 0.0025974 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0025974 k( 40) = ( 0.3679245 -0.0000000 0.0000000), wk = 0.0025974 k( 41) = ( 0.3773585 0.0000000 0.0000000), wk = 0.0025974 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0025974 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0025974 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0025974 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0025974 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0025974 k( 47) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0025974 k( 48) = ( 0.4433962 -0.0000000 0.0000000), wk = 0.0025974 k( 49) = ( 0.4528302 -0.0000000 0.0000000), wk = 0.0025974 k( 50) = ( 0.4622641 -0.0000000 0.0000000), wk = 0.0025974 k( 51) = ( 0.4716981 -0.0000000 0.0000000), wk = 0.0025974 k( 52) = ( 0.4811321 -0.0000000 0.0000000), wk = 0.0025974 k( 53) = ( 0.4905660 -0.0000000 0.0000000), wk = 0.0025974 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025974 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025974 k( 56) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0025974 k( 57) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0025974 k( 58) = ( 0.4838710 0.0322581 0.0000000), wk = 0.0025974 k( 59) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0025974 k( 60) = ( 0.4731183 0.0537634 0.0000000), wk = 0.0025974 k( 61) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0025974 k( 62) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0025974 k( 63) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0025974 k( 64) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0025974 k( 65) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0025974 k( 66) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0025974 k( 67) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0025974 k( 68) = ( 0.4301075 0.1397849 0.0000000), wk = 0.0025974 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0025974 k( 70) = ( 0.4193548 0.1612903 -0.0000000), wk = 0.0025974 k( 71) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0025974 k( 72) = ( 0.4086021 0.1827957 0.0000000), wk = 0.0025974 k( 73) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0025974 k( 74) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0025974 k( 75) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0025974 k( 76) = ( 0.3870968 0.2258065 0.0000000), wk = 0.0025974 k( 77) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0025974 k( 78) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0025974 k( 79) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0025974 k( 80) = ( 0.3655914 0.2688172 0.0000000), wk = 0.0025974 k( 81) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0025974 k( 82) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0025974 k( 83) = ( 0.3494624 0.3010753 0.0000000), wk = 0.0025974 k( 84) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0025974 k( 85) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0025974 k( 86) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025974 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025974 k( 88) = ( 0.3279570 0.3279570 0.0000000), wk = 0.0025974 k( 89) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0025974 k( 90) = ( 0.3172043 0.3172043 0.0000000), wk = 0.0025974 k( 91) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0025974 k( 92) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0025974 k( 93) = ( 0.3010753 0.3010753 -0.0000000), wk = 0.0025974 k( 94) = ( 0.2956989 0.2956989 0.0000000), wk = 0.0025974 k( 95) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0025974 k( 96) = ( 0.2849462 0.2849462 0.0000000), wk = 0.0025974 k( 97) = ( 0.2795699 0.2795699 0.0000000), wk = 0.0025974 k( 98) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0025974 k( 99) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0025974 k( 100) = ( 0.2634409 0.2634409 0.0000000), wk = 0.0025974 k( 101) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0025974 k( 102) = ( 0.2526882 0.2526882 0.0000000), wk = 0.0025974 k( 103) = ( 0.2473118 0.2473118 -0.0000000), wk = 0.0025974 k( 104) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0025974 k( 105) = ( 0.2365591 0.2365591 0.0000000), wk = 0.0025974 k( 106) = ( 0.2311828 0.2311828 0.0000000), wk = 0.0025974 k( 107) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0025974 k( 108) = ( 0.2204301 0.2204301 0.0000000), wk = 0.0025974 k( 109) = ( 0.2150538 0.2150538 -0.0000000), wk = 0.0025974 k( 110) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0025974 k( 111) = ( 0.2043011 0.2043011 0.0000000), wk = 0.0025974 k( 112) = ( 0.1989247 0.1989247 0.0000000), wk = 0.0025974 k( 113) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0025974 k( 114) = ( 0.1881720 0.1881720 0.0000000), wk = 0.0025974 k( 115) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0025974 k( 116) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0025974 k( 117) = ( 0.1720430 0.1720430 0.0000000), wk = 0.0025974 k( 118) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025974 k( 119) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0025974 k( 120) = ( 0.1559140 0.1559140 0.0000000), wk = 0.0025974 k( 121) = ( 0.1505376 0.1505376 0.0000000), wk = 0.0025974 k( 122) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0025974 k( 123) = ( 0.1397849 0.1397849 0.0000000), wk = 0.0025974 k( 124) = ( 0.1344086 0.1344086 -0.0000000), wk = 0.0025974 k( 125) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0025974 k( 126) = ( 0.1236559 0.1236559 0.0000000), wk = 0.0025974 k( 127) = ( 0.1182796 0.1182796 0.0000000), wk = 0.0025974 k( 128) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0025974 k( 129) = ( 0.1075269 0.1075269 -0.0000000), wk = 0.0025974 k( 130) = ( 0.1021505 0.1021505 0.0000000), wk = 0.0025974 k( 131) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0025974 k( 132) = ( 0.0913979 0.0913978 -0.0000000), wk = 0.0025974 k( 133) = ( 0.0860215 0.0860215 0.0000000), wk = 0.0025974 k( 134) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0025974 k( 135) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0025974 k( 136) = ( 0.0698925 0.0698925 0.0000000), wk = 0.0025974 k( 137) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0025974 k( 138) = ( 0.0591398 0.0591398 0.0000000), wk = 0.0025974 k( 139) = ( 0.0537634 0.0537634 -0.0000000), wk = 0.0025974 k( 140) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0025974 k( 141) = ( 0.0430108 0.0430108 0.0000000), wk = 0.0025974 k( 142) = ( 0.0376344 0.0376344 0.0000000), wk = 0.0025974 k( 143) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0025974 k( 144) = ( 0.0268817 0.0268817 -0.0000000), wk = 0.0025974 k( 145) = ( 0.0215054 0.0215054 0.0000000), wk = 0.0025974 k( 146) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0025974 k( 147) = ( 0.0107527 0.0107527 0.0000000), wk = 0.0025974 k( 148) = ( 0.0053763 0.0053763 0.0000000), wk = 0.0025974 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 151) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0025974 k( 152) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0025974 k( 153) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0025974 k( 154) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025974 k( 155) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0025974 k( 156) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0025974 k( 157) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025974 k( 158) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025974 k( 159) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0025974 k( 160) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0025974 k( 161) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0025974 k( 162) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025974 k( 163) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0025974 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025974 k( 165) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0025974 k( 166) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025974 k( 167) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0025974 k( 168) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0025974 k( 169) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0025974 k( 170) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025974 k( 171) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025974 k( 172) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0025974 k( 173) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0025974 k( 174) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025974 k( 175) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0025974 k( 176) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0025974 k( 177) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0025974 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025974 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025974 k( 180) = ( 0.0094340 -0.0000000 0.5000000), wk = 0.0025974 k( 181) = ( 0.0188679 -0.0000000 0.5000000), wk = 0.0025974 k( 182) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0025974 k( 183) = ( 0.0377359 -0.0000000 0.5000000), wk = 0.0025974 k( 184) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0025974 k( 185) = ( 0.0566038 -0.0000000 0.5000000), wk = 0.0025974 k( 186) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0025974 k( 187) = ( 0.0754717 -0.0000000 0.5000000), wk = 0.0025974 k( 188) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0025974 k( 189) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0025974 k( 190) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0025974 k( 191) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0025974 k( 192) = ( 0.1226415 -0.0000000 0.5000000), wk = 0.0025974 k( 193) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0025974 k( 194) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0025974 k( 195) = ( 0.1509434 -0.0000000 0.5000000), wk = 0.0025974 k( 196) = ( 0.1603774 -0.0000000 0.5000000), wk = 0.0025974 k( 197) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0025974 k( 198) = ( 0.1792453 -0.0000000 0.5000000), wk = 0.0025974 k( 199) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0025974 k( 200) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0025974 k( 201) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0025974 k( 202) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0025974 k( 203) = ( 0.2264151 -0.0000000 0.5000000), wk = 0.0025974 k( 204) = ( 0.2358491 -0.0000000 0.5000000), wk = 0.0025974 k( 205) = ( 0.2452830 -0.0000000 0.5000000), wk = 0.0025974 k( 206) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0025974 k( 207) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0025974 k( 208) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0025974 k( 209) = ( 0.2830189 -0.0000000 0.5000000), wk = 0.0025974 k( 210) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0025974 k( 211) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0025974 k( 212) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0025974 k( 213) = ( 0.3207547 -0.0000000 0.5000000), wk = 0.0025974 k( 214) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0025974 k( 215) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0025974 k( 216) = ( 0.3490566 -0.0000000 0.5000000), wk = 0.0025974 k( 217) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0025974 k( 218) = ( 0.3679245 -0.0000000 0.5000000), wk = 0.0025974 k( 219) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0025974 k( 220) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0025974 k( 221) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0025974 k( 222) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0025974 k( 223) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0025974 k( 224) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0025974 k( 225) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0025974 k( 226) = ( 0.4433962 -0.0000000 0.5000000), wk = 0.0025974 k( 227) = ( 0.4528302 -0.0000000 0.5000000), wk = 0.0025974 k( 228) = ( 0.4622641 -0.0000000 0.5000000), wk = 0.0025974 k( 229) = ( 0.4716981 -0.0000000 0.5000000), wk = 0.0025974 k( 230) = ( 0.4811321 -0.0000000 0.5000000), wk = 0.0025974 k( 231) = ( 0.4905660 -0.0000000 0.5000000), wk = 0.0025974 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025974 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025974 k( 234) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0025974 k( 235) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0025974 k( 236) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0025974 k( 237) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0025974 k( 238) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0025974 k( 239) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0025974 k( 240) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0025974 k( 241) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0025974 k( 242) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0025974 k( 243) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0025974 k( 244) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0025974 k( 245) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0025974 k( 246) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0025974 k( 247) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0025974 k( 248) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0025974 k( 249) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0025974 k( 250) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0025974 k( 251) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0025974 k( 252) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0025974 k( 253) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0025974 k( 254) = ( 0.3870968 0.2258065 0.5000000), wk = 0.0025974 k( 255) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0025974 k( 256) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0025974 k( 257) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0025974 k( 258) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0025974 k( 259) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0025974 k( 260) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0025974 k( 261) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0025974 k( 262) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0025974 k( 263) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0025974 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025974 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025974 k( 266) = ( 0.3279570 0.3279570 0.5000000), wk = 0.0025974 k( 267) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0025974 k( 268) = ( 0.3172043 0.3172043 0.5000000), wk = 0.0025974 k( 269) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0025974 k( 270) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0025974 k( 271) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0025974 k( 272) = ( 0.2956989 0.2956989 0.5000000), wk = 0.0025974 k( 273) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0025974 k( 274) = ( 0.2849462 0.2849462 0.5000000), wk = 0.0025974 k( 275) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0025974 k( 276) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0025974 k( 277) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0025974 k( 278) = ( 0.2634409 0.2634409 0.5000000), wk = 0.0025974 k( 279) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0025974 k( 280) = ( 0.2526882 0.2526882 0.5000000), wk = 0.0025974 k( 281) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0025974 k( 282) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0025974 k( 283) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0025974 k( 284) = ( 0.2311828 0.2311828 0.5000000), wk = 0.0025974 k( 285) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0025974 k( 286) = ( 0.2204301 0.2204301 0.5000000), wk = 0.0025974 k( 287) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0025974 k( 288) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0025974 k( 289) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0025974 k( 290) = ( 0.1989247 0.1989247 0.5000000), wk = 0.0025974 k( 291) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0025974 k( 292) = ( 0.1881720 0.1881720 0.5000000), wk = 0.0025974 k( 293) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0025974 k( 294) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0025974 k( 295) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0025974 k( 296) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025974 k( 297) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0025974 k( 298) = ( 0.1559140 0.1559140 0.5000000), wk = 0.0025974 k( 299) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0025974 k( 300) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0025974 k( 301) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0025974 k( 302) = ( 0.1344086 0.1344086 0.5000000), wk = 0.0025974 k( 303) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0025974 k( 304) = ( 0.1236559 0.1236559 0.5000000), wk = 0.0025974 k( 305) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0025974 k( 306) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0025974 k( 307) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0025974 k( 308) = ( 0.1021505 0.1021505 0.5000000), wk = 0.0025974 k( 309) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0025974 k( 310) = ( 0.0913979 0.0913978 0.5000000), wk = 0.0025974 k( 311) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0025974 k( 312) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0025974 k( 313) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0025974 k( 314) = ( 0.0698925 0.0698925 0.5000000), wk = 0.0025974 k( 315) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0025974 k( 316) = ( 0.0591398 0.0591398 0.5000000), wk = 0.0025974 k( 317) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0025974 k( 318) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0025974 k( 319) = ( 0.0430108 0.0430108 0.5000000), wk = 0.0025974 k( 320) = ( 0.0376344 0.0376344 0.5000000), wk = 0.0025974 k( 321) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0025974 k( 322) = ( 0.0268817 0.0268817 0.5000000), wk = 0.0025974 k( 323) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0025974 k( 324) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0025974 k( 325) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0025974 k( 326) = ( 0.0053763 0.0053763 0.5000000), wk = 0.0025974 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025974 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025974 k( 329) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0025974 k( 330) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0025974 k( 331) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0025974 k( 332) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0025974 k( 333) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0025974 k( 334) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0025974 k( 335) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0025974 k( 336) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0025974 k( 337) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0025974 k( 338) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0025974 k( 339) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0025974 k( 340) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0025974 k( 341) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0025974 k( 342) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025974 k( 343) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0025974 k( 344) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0025974 k( 345) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0025974 k( 346) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0025974 k( 347) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0025974 k( 348) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0025974 k( 349) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0025974 k( 350) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0025974 k( 351) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0025974 k( 352) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0025974 k( 353) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0025974 k( 354) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0025974 k( 355) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0025974 k( 356) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025974 k( 357) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025974 k( 358) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0025974 k( 359) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0025974 k( 360) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0025974 k( 361) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0025974 k( 362) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0025974 k( 363) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0025974 k( 364) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0025974 k( 365) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0025974 k( 366) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0025974 k( 367) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0025974 k( 368) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0025974 k( 369) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0025974 k( 370) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0025974 k( 371) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025974 k( 372) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0025974 k( 373) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0025974 k( 374) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0025974 k( 375) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0025974 k( 376) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0025974 k( 377) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0025974 k( 378) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0025974 k( 379) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0025974 k( 380) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0025974 k( 381) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0025974 k( 382) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0025974 k( 383) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0025974 k( 384) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0025974 k( 385) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025974 Dense grid: 24185 G-vectors FFT dimensions: ( 32, 32, 54) Smooth grid: 16451 G-vectors FFT dimensions: ( 27, 27, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 132, 36) NL pseudopotentials 0.14 Mb ( 66, 136) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.01 Mb ( 675) G-vector shells 0.00 Mb ( 296) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 132, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) The potential is recalculated from file : ./FeS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.3 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.1 secs Computing kpt #: 18 total cpu time spent up to now is 5.3 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.8 secs Computing kpt #: 22 total cpu time spent up to now is 6.0 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.5 secs Computing kpt #: 26 total cpu time spent up to now is 6.7 secs Computing kpt #: 27 total cpu time spent up to now is 6.9 secs Computing kpt #: 28 total cpu time spent up to now is 7.1 secs Computing kpt #: 29 total cpu time spent up to now is 7.2 secs Computing kpt #: 30 total cpu time spent up to now is 7.4 secs Computing kpt #: 31 total cpu time spent up to now is 7.6 secs Computing kpt #: 32 total cpu time spent up to now is 7.8 secs Computing kpt #: 33 total cpu time spent up to now is 8.0 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 8.3 secs Computing kpt #: 36 total cpu time spent up to now is 8.5 secs Computing kpt #: 37 total cpu time spent up to now is 8.7 secs Computing kpt #: 38 total cpu time spent up to now is 8.9 secs Computing kpt #: 39 total cpu time spent up to now is 9.1 secs Computing kpt #: 40 total cpu time spent up to now is 9.3 secs Computing kpt #: 41 total cpu time spent up to now is 9.4 secs Computing kpt #: 42 total cpu time spent up to now is 9.6 secs Computing kpt #: 43 total cpu time spent up to now is 9.8 secs Computing kpt #: 44 total cpu time spent up to now is 10.0 secs Computing kpt #: 45 total cpu time spent up to now is 10.2 secs Computing kpt #: 46 total cpu time spent up to now is 10.4 secs Computing kpt #: 47 total cpu time spent up to now is 10.6 secs Computing kpt #: 48 total cpu time spent up to now is 10.8 secs Computing kpt #: 49 total cpu time spent up to now is 11.0 secs Computing kpt #: 50 total cpu time spent up to now is 11.2 secs Computing kpt #: 51 total cpu time spent up to now is 11.3 secs Computing kpt #: 52 total cpu time spent up to now is 11.5 secs Computing kpt #: 53 total cpu time spent up to now is 11.7 secs Computing kpt #: 54 total cpu time spent up to now is 11.9 secs Computing kpt #: 55 total cpu time spent up to now is 12.1 secs Computing kpt #: 56 total cpu time spent up to now is 12.3 secs Computing kpt #: 57 total cpu time spent up to now is 12.5 secs Computing kpt #: 58 total cpu time spent up to now is 12.7 secs Computing kpt #: 59 total cpu time spent up to now is 12.8 secs Computing kpt #: 60 total cpu time spent up to now is 13.0 secs Computing kpt #: 61 total cpu time spent up to now is 13.2 secs Computing kpt #: 62 total cpu time spent up to now is 13.4 secs Computing kpt #: 63 total cpu time spent up to now is 13.6 secs Computing kpt #: 64 total cpu time spent up to now is 13.8 secs Computing kpt #: 65 total cpu time spent up to now is 14.0 secs Computing kpt #: 66 total cpu time spent up to now is 14.2 secs Computing kpt #: 67 total cpu time spent up to now is 14.4 secs Computing kpt #: 68 total cpu time spent up to now is 14.6 secs Computing kpt #: 69 total cpu time spent up to now is 14.8 secs Computing kpt #: 70 total cpu time spent up to now is 15.0 secs Computing kpt #: 71 total cpu time spent up to now is 15.2 secs Computing kpt #: 72 total cpu time spent up to now is 15.4 secs Computing kpt #: 73 total cpu time spent up to now is 15.6 secs Computing kpt #: 74 total cpu time spent up to now is 15.8 secs Computing kpt #: 75 total cpu time spent up to now is 15.9 secs Computing kpt #: 76 total cpu time spent up to now is 16.1 secs Computing kpt #: 77 total cpu time spent up to now is 16.3 secs Computing kpt #: 78 total cpu time spent up to now is 16.5 secs Computing kpt #: 79 total cpu time spent up to now is 16.7 secs Computing kpt #: 80 total cpu time spent up to now is 16.9 secs Computing kpt #: 81 total cpu time spent up to now is 17.1 secs Computing kpt #: 82 total cpu time spent up to now is 17.3 secs Computing kpt #: 83 total cpu time spent up to now is 17.5 secs Computing kpt #: 84 total cpu time spent up to now is 17.7 secs Computing kpt #: 85 total cpu time spent up to now is 17.8 secs Computing kpt #: 86 total cpu time spent up to now is 18.0 secs Computing kpt #: 87 total cpu time spent up to now is 18.2 secs Computing kpt #: 88 total cpu time spent up to now is 18.4 secs Computing kpt #: 89 total cpu time spent up to now is 18.6 secs Computing kpt #: 90 total cpu time spent up to now is 18.8 secs Computing kpt #: 91 total cpu time spent up to now is 19.0 secs Computing kpt #: 92 total cpu time spent up to now is 19.1 secs Computing kpt #: 93 total cpu time spent up to now is 19.3 secs Computing kpt #: 94 total cpu time spent up to now is 19.5 secs Computing kpt #: 95 total cpu time spent up to now is 19.7 secs Computing kpt #: 96 total cpu time spent up to now is 19.9 secs Computing kpt #: 97 total cpu time spent up to now is 20.1 secs Computing kpt #: 98 total cpu time spent up to now is 20.3 secs Computing kpt #: 99 total cpu time spent up to now is 20.5 secs Computing kpt #: 100 total cpu time spent up to now is 20.7 secs Computing kpt #: 101 total cpu time spent up to now is 20.9 secs Computing kpt #: 102 total cpu time spent up to now is 21.0 secs Computing kpt #: 103 total cpu time spent up to now is 21.2 secs Computing kpt #: 104 total cpu time spent up to now is 21.4 secs Computing kpt #: 105 total cpu time spent up to now is 21.6 secs Computing kpt #: 106 total cpu time spent up to now is 21.8 secs Computing kpt #: 107 total cpu time spent up to now is 22.0 secs Computing kpt #: 108 total cpu time spent up to now is 22.2 secs Computing kpt #: 109 total cpu time spent up to now is 22.3 secs Computing kpt #: 110 total cpu time spent up to now is 22.5 secs Computing kpt #: 111 total cpu time spent up to now is 22.7 secs Computing kpt #: 112 total cpu time spent up to now is 22.9 secs Computing kpt #: 113 total cpu time spent up to now is 23.1 secs Computing kpt #: 114 total cpu time spent up to now is 23.3 secs Computing kpt #: 115 total cpu time spent up to now is 23.4 secs Computing kpt #: 116 total cpu time spent up to now is 23.6 secs Computing kpt #: 117 total cpu time spent up to now is 23.8 secs Computing kpt #: 118 total cpu time spent up to now is 24.0 secs Computing kpt #: 119 total cpu time spent up to now is 24.2 secs Computing kpt #: 120 total cpu time spent up to now is 24.3 secs Computing kpt #: 121 total cpu time spent up to now is 24.5 secs Computing kpt #: 122 total cpu time spent up to now is 24.7 secs Computing kpt #: 123 total cpu time spent up to now is 24.9 secs Computing kpt #: 124 total cpu time spent up to now is 25.0 secs Computing kpt #: 125 total cpu time spent up to now is 25.2 secs Computing kpt #: 126 total cpu time spent up to now is 25.4 secs Computing kpt #: 127 total cpu time spent up to now is 25.6 secs Computing kpt #: 128 total cpu time spent up to now is 25.7 secs Computing kpt #: 129 total cpu time spent up to now is 25.9 secs Computing kpt #: 130 total cpu time spent up to now is 26.1 secs Computing kpt #: 131 total cpu time spent up to now is 26.3 secs Computing kpt #: 132 total cpu time spent up to now is 26.5 secs Computing kpt #: 133 total cpu time spent up to now is 26.6 secs Computing kpt #: 134 total cpu time spent up to now is 26.8 secs Computing kpt #: 135 total cpu time spent up to now is 27.0 secs Computing kpt #: 136 total cpu time spent up to now is 27.2 secs Computing kpt #: 137 total cpu time spent up to now is 27.4 secs Computing kpt #: 138 total cpu time spent up to now is 27.6 secs Computing kpt #: 139 total cpu time spent up to now is 27.7 secs Computing kpt #: 140 total cpu time spent up to now is 27.9 secs Computing kpt #: 141 total cpu time spent up to now is 28.1 secs Computing kpt #: 142 total cpu time spent up to now is 28.3 secs Computing kpt #: 143 total cpu time spent up to now is 28.5 secs Computing kpt #: 144 total cpu time spent up to now is 28.7 secs Computing kpt #: 145 total cpu time spent up to now is 28.9 secs Computing kpt #: 146 total cpu time spent up to now is 29.1 secs Computing kpt #: 147 total cpu time spent up to now is 29.2 secs Computing kpt #: 148 total cpu time spent up to now is 29.4 secs Computing kpt #: 149 total cpu time spent up to now is 29.6 secs Computing kpt #: 150 total cpu time spent up to now is 29.7 secs Computing kpt #: 151 total cpu time spent up to now is 29.9 secs Computing kpt #: 152 total cpu time spent up to now is 30.1 secs Computing kpt #: 153 total cpu time spent up to now is 30.3 secs Computing kpt #: 154 total cpu time spent up to now is 30.4 secs Computing kpt #: 155 total cpu time spent up to now is 30.6 secs Computing kpt #: 156 total cpu time spent up to now is 30.8 secs Computing kpt #: 157 total cpu time spent up to now is 31.0 secs Computing kpt #: 158 total cpu time spent up to now is 31.1 secs Computing kpt #: 159 total cpu time spent up to now is 31.3 secs Computing kpt #: 160 total cpu time spent up to now is 31.5 secs Computing kpt #: 161 total cpu time spent up to now is 31.7 secs Computing kpt #: 162 total cpu time spent up to now is 31.8 secs Computing kpt #: 163 total cpu time spent up to now is 32.0 secs Computing kpt #: 164 total cpu time spent up to now is 32.2 secs Computing kpt #: 165 total cpu time spent up to now is 32.4 secs Computing kpt #: 166 total cpu time spent up to now is 32.5 secs Computing kpt #: 167 total cpu time spent up to now is 32.7 secs Computing kpt #: 168 total cpu time spent up to now is 32.9 secs Computing kpt #: 169 total cpu time spent up to now is 33.1 secs Computing kpt #: 170 total cpu time spent up to now is 33.2 secs Computing kpt #: 171 total cpu time spent up to now is 33.4 secs Computing kpt #: 172 total cpu time spent up to now is 33.6 secs Computing kpt #: 173 total cpu time spent up to now is 33.8 secs Computing kpt #: 174 total cpu time spent up to now is 33.9 secs Computing kpt #: 175 total cpu time spent up to now is 34.1 secs Computing kpt #: 176 total cpu time spent up to now is 34.4 secs Computing kpt #: 177 total cpu time spent up to now is 34.5 secs Computing kpt #: 178 total cpu time spent up to now is 34.7 secs Computing kpt #: 179 total cpu time spent up to now is 34.9 secs Computing kpt #: 180 total cpu time spent up to now is 35.1 secs Computing kpt #: 181 total cpu time spent up to now is 35.2 secs Computing kpt #: 182 total cpu time spent up to now is 35.4 secs Computing kpt #: 183 total cpu time spent up to now is 35.6 secs Computing kpt #: 184 total cpu time spent up to now is 35.8 secs Computing kpt #: 185 total cpu time spent up to now is 35.9 secs Computing kpt #: 186 total cpu time spent up to now is 36.1 secs Computing kpt #: 187 total cpu time spent up to now is 36.3 secs Computing kpt #: 188 total cpu time spent up to now is 36.5 secs Computing kpt #: 189 total cpu time spent up to now is 36.6 secs Computing kpt #: 190 total cpu time spent up to now is 36.8 secs Computing kpt #: 191 total cpu time spent up to now is 37.0 secs Computing kpt #: 192 total cpu time spent up to now is 37.1 secs Computing kpt #: 193 total cpu time spent up to now is 37.3 secs Computing kpt #: 194 total cpu time spent up to now is 37.4 secs Computing kpt #: 195 total cpu time spent up to now is 37.6 secs Computing kpt #: 196 total cpu time spent up to now is 37.8 secs Computing kpt #: 197 total cpu time spent up to now is 37.9 secs Computing kpt #: 198 total cpu time spent up to now is 38.1 secs Computing kpt #: 199 total cpu time spent up to now is 38.3 secs Computing kpt #: 200 total cpu time spent up to now is 38.4 secs Computing kpt #: 201 total cpu time spent up to now is 38.6 secs Computing kpt #: 202 total cpu time spent up to now is 38.8 secs Computing kpt #: 203 total cpu time spent up to now is 39.0 secs Computing kpt #: 204 total cpu time spent up to now is 39.1 secs Computing kpt #: 205 total cpu time spent up to now is 39.3 secs Computing kpt #: 206 total cpu time spent up to now is 39.5 secs Computing kpt #: 207 total cpu time spent up to now is 39.6 secs Computing kpt #: 208 total cpu time spent up to now is 39.8 secs Computing kpt #: 209 total cpu time spent up to now is 40.0 secs Computing kpt #: 210 total cpu time spent up to now is 40.2 secs Computing kpt #: 211 total cpu time spent up to now is 40.4 secs Computing kpt #: 212 total cpu time spent up to now is 40.5 secs Computing kpt #: 213 total cpu time spent up to now is 40.7 secs Computing kpt #: 214 total cpu time spent up to now is 40.9 secs Computing kpt #: 215 total cpu time spent up to now is 41.1 secs Computing kpt #: 216 total cpu time spent up to now is 41.3 secs Computing kpt #: 217 total cpu time spent up to now is 41.5 secs Computing kpt #: 218 total cpu time spent up to now is 41.7 secs Computing kpt #: 219 total cpu time spent up to now is 41.9 secs Computing kpt #: 220 total cpu time spent up to now is 42.1 secs Computing kpt #: 221 total cpu time spent up to now is 42.3 secs Computing kpt #: 222 total cpu time spent up to now is 42.5 secs Computing kpt #: 223 total cpu time spent up to now is 42.7 secs Computing kpt #: 224 total cpu time spent up to now is 42.9 secs Computing kpt #: 225 total cpu time spent up to now is 43.0 secs Computing kpt #: 226 total cpu time spent up to now is 43.2 secs Computing kpt #: 227 total cpu time spent up to now is 43.4 secs Computing kpt #: 228 total cpu time spent up to now is 43.6 secs Computing kpt #: 229 total cpu time spent up to now is 43.8 secs Computing kpt #: 230 total cpu time spent up to now is 44.0 secs Computing kpt #: 231 total cpu time spent up to now is 44.2 secs Computing kpt #: 232 total cpu time spent up to now is 44.4 secs Computing kpt #: 233 total cpu time spent up to now is 44.6 secs Computing kpt #: 234 total cpu time spent up to now is 44.7 secs Computing kpt #: 235 total cpu time spent up to now is 44.9 secs Computing kpt #: 236 total cpu time spent up to now is 45.1 secs Computing kpt #: 237 total cpu time spent up to now is 45.3 secs Computing kpt #: 238 total cpu time spent up to now is 45.5 secs Computing kpt #: 239 total cpu time spent up to now is 45.7 secs Computing kpt #: 240 total cpu time spent up to now is 45.9 secs Computing kpt #: 241 total cpu time spent up to now is 46.0 secs Computing kpt #: 242 total cpu time spent up to now is 46.2 secs Computing kpt #: 243 total cpu time spent up to now is 46.4 secs Computing kpt #: 244 total cpu time spent up to now is 46.6 secs Computing kpt #: 245 total cpu time spent up to now is 46.8 secs Computing kpt #: 246 total cpu time spent up to now is 46.9 secs Computing kpt #: 247 total cpu time spent up to now is 47.1 secs Computing kpt #: 248 total cpu time spent up to now is 47.3 secs Computing kpt #: 249 total cpu time spent up to now is 47.5 secs Computing kpt #: 250 total cpu time spent up to now is 47.7 secs Computing kpt #: 251 total cpu time spent up to now is 47.9 secs Computing kpt #: 252 total cpu time spent up to now is 48.1 secs Computing kpt #: 253 total cpu time spent up to now is 48.3 secs Computing kpt #: 254 total cpu time spent up to now is 48.4 secs Computing kpt #: 255 total cpu time spent up to now is 48.6 secs Computing kpt #: 256 total cpu time spent up to now is 48.8 secs Computing kpt #: 257 total cpu time spent up to now is 49.0 secs Computing kpt #: 258 total cpu time spent up to now is 49.2 secs Computing kpt #: 259 total cpu time spent up to now is 49.4 secs Computing kpt #: 260 total cpu time spent up to now is 49.6 secs Computing kpt #: 261 total cpu time spent up to now is 49.7 secs Computing kpt #: 262 total cpu time spent up to now is 49.9 secs Computing kpt #: 263 total cpu time spent up to now is 50.1 secs Computing kpt #: 264 total cpu time spent up to now is 50.3 secs Computing kpt #: 265 total cpu time spent up to now is 50.4 secs Computing kpt #: 266 total cpu time spent up to now is 50.6 secs Computing kpt #: 267 total cpu time spent up to now is 50.8 secs Computing kpt #: 268 total cpu time spent up to now is 51.0 secs Computing kpt #: 269 total cpu time spent up to now is 51.2 secs Computing kpt #: 270 total cpu time spent up to now is 51.3 secs Computing kpt #: 271 total cpu time spent up to now is 51.5 secs Computing kpt #: 272 total cpu time spent up to now is 51.7 secs Computing kpt #: 273 total cpu time spent up to now is 51.9 secs Computing kpt #: 274 total cpu time spent up to now is 52.1 secs Computing kpt #: 275 total cpu time spent up to now is 52.3 secs Computing kpt #: 276 total cpu time spent up to now is 52.5 secs Computing kpt #: 277 total cpu time spent up to now is 52.7 secs Computing kpt #: 278 total cpu time spent up to now is 52.9 secs Computing kpt #: 279 total cpu time spent up to now is 53.1 secs Computing kpt #: 280 total cpu time spent up to now is 53.3 secs Computing kpt #: 281 total cpu time spent up to now is 53.5 secs Computing kpt #: 282 total cpu time spent up to now is 53.7 secs Computing kpt #: 283 total cpu time spent up to now is 53.9 secs Computing kpt #: 284 total cpu time spent up to now is 54.1 secs Computing kpt #: 285 total cpu time spent up to now is 54.2 secs Computing kpt #: 286 total cpu time spent up to now is 54.4 secs Computing kpt #: 287 total cpu time spent up to now is 54.6 secs Computing kpt #: 288 total cpu time spent up to now is 54.8 secs Computing kpt #: 289 total cpu time spent up to now is 55.0 secs Computing kpt #: 290 total cpu time spent up to now is 55.2 secs Computing kpt #: 291 total cpu time spent up to now is 55.4 secs Computing kpt #: 292 total cpu time spent up to now is 55.6 secs Computing kpt #: 293 total cpu time spent up to now is 55.7 secs Computing kpt #: 294 total cpu time spent up to now is 55.9 secs Computing kpt #: 295 total cpu time spent up to now is 56.1 secs Computing kpt #: 296 total cpu time spent up to now is 56.3 secs Computing kpt #: 297 total cpu time spent up to now is 56.5 secs Computing kpt #: 298 total cpu time spent up to now is 56.6 secs Computing kpt #: 299 total cpu time spent up to now is 56.8 secs Computing kpt #: 300 total cpu time spent up to now is 57.0 secs Computing kpt #: 301 total cpu time spent up to now is 57.2 secs Computing kpt #: 302 total cpu time spent up to now is 57.3 secs Computing kpt #: 303 total cpu time spent up to now is 57.5 secs Computing kpt #: 304 total cpu time spent up to now is 57.7 secs Computing kpt #: 305 total cpu time spent up to now is 57.9 secs Computing kpt #: 306 total cpu time spent up to now is 58.1 secs Computing kpt #: 307 total cpu time spent up to now is 58.2 secs Computing kpt #: 308 total cpu time spent up to now is 58.4 secs Computing kpt #: 309 total cpu time spent up to now is 58.6 secs Computing kpt #: 310 total cpu time spent up to now is 58.7 secs Computing kpt #: 311 total cpu time spent up to now is 58.9 secs Computing kpt #: 312 total cpu time spent up to now is 59.1 secs Computing kpt #: 313 total cpu time spent up to now is 59.2 secs Computing kpt #: 314 total cpu time spent up to now is 59.4 secs Computing kpt #: 315 total cpu time spent up to now is 59.6 secs Computing kpt #: 316 total cpu time spent up to now is 59.7 secs Computing kpt #: 317 total cpu time spent up to now is 59.9 secs Computing kpt #: 318 total cpu time spent up to now is 60.1 secs Computing kpt #: 319 total cpu time spent up to now is 60.2 secs Computing kpt #: 320 total cpu time spent up to now is 60.4 secs Computing kpt #: 321 total cpu time spent up to now is 60.6 secs Computing kpt #: 322 total cpu time spent up to now is 60.8 secs Computing kpt #: 323 total cpu time spent up to now is 60.9 secs Computing kpt #: 324 total cpu time spent up to now is 61.1 secs Computing kpt #: 325 total cpu time spent up to now is 61.3 secs Computing kpt #: 326 total cpu time spent up to now is 61.5 secs Computing kpt #: 327 total cpu time spent up to now is 61.6 secs Computing kpt #: 328 total cpu time spent up to now is 61.8 secs Computing kpt #: 329 total cpu time spent up to now is 62.0 secs Computing kpt #: 330 total cpu time spent up to now is 62.2 secs Computing kpt #: 331 total cpu time spent up to now is 62.4 secs Computing kpt #: 332 total cpu time spent up to now is 62.6 secs Computing kpt #: 333 total cpu time spent up to now is 62.7 secs Computing kpt #: 334 total cpu time spent up to now is 62.9 secs Computing kpt #: 335 total cpu time spent up to now is 63.1 secs Computing kpt #: 336 total cpu time spent up to now is 63.3 secs Computing kpt #: 337 total cpu time spent up to now is 63.5 secs Computing kpt #: 338 total cpu time spent up to now is 63.7 secs Computing kpt #: 339 total cpu time spent up to now is 63.9 secs Computing kpt #: 340 total cpu time spent up to now is 64.1 secs Computing kpt #: 341 total cpu time spent up to now is 64.3 secs Computing kpt #: 342 total cpu time spent up to now is 64.5 secs Computing kpt #: 343 total cpu time spent up to now is 64.7 secs Computing kpt #: 344 total cpu time spent up to now is 64.9 secs Computing kpt #: 345 total cpu time spent up to now is 65.1 secs Computing kpt #: 346 total cpu time spent up to now is 65.3 secs Computing kpt #: 347 total cpu time spent up to now is 65.5 secs Computing kpt #: 348 total cpu time spent up to now is 65.7 secs Computing kpt #: 349 total cpu time spent up to now is 65.9 secs Computing kpt #: 350 total cpu time spent up to now is 66.1 secs Computing kpt #: 351 total cpu time spent up to now is 66.3 secs Computing kpt #: 352 total cpu time spent up to now is 66.5 secs Computing kpt #: 353 total cpu time spent up to now is 66.7 secs Computing kpt #: 354 total cpu time spent up to now is 66.9 secs Computing kpt #: 355 total cpu time spent up to now is 67.1 secs Computing kpt #: 356 total cpu time spent up to now is 67.2 secs Computing kpt #: 357 total cpu time spent up to now is 67.4 secs Computing kpt #: 358 total cpu time spent up to now is 67.6 secs Computing kpt #: 359 total cpu time spent up to now is 67.8 secs Computing kpt #: 360 total cpu time spent up to now is 68.0 secs Computing kpt #: 361 total cpu time spent up to now is 68.2 secs Computing kpt #: 362 total cpu time spent up to now is 68.3 secs Computing kpt #: 363 total cpu time spent up to now is 68.5 secs Computing kpt #: 364 total cpu time spent up to now is 68.7 secs Computing kpt #: 365 total cpu time spent up to now is 68.9 secs Computing kpt #: 366 total cpu time spent up to now is 69.1 secs Computing kpt #: 367 total cpu time spent up to now is 69.5 secs Computing kpt #: 368 total cpu time spent up to now is 69.7 secs Computing kpt #: 369 total cpu time spent up to now is 69.9 secs Computing kpt #: 370 total cpu time spent up to now is 70.1 secs Computing kpt #: 371 total cpu time spent up to now is 70.2 secs Computing kpt #: 372 total cpu time spent up to now is 70.4 secs Computing kpt #: 373 total cpu time spent up to now is 70.6 secs Computing kpt #: 374 total cpu time spent up to now is 70.8 secs Computing kpt #: 375 total cpu time spent up to now is 71.0 secs Computing kpt #: 376 total cpu time spent up to now is 71.2 secs Computing kpt #: 377 total cpu time spent up to now is 71.3 secs Computing kpt #: 378 total cpu time spent up to now is 71.5 secs Computing kpt #: 379 total cpu time spent up to now is 71.7 secs Computing kpt #: 380 total cpu time spent up to now is 71.9 secs Computing kpt #: 381 total cpu time spent up to now is 72.1 secs Computing kpt #: 382 total cpu time spent up to now is 72.2 secs Computing kpt #: 383 total cpu time spent up to now is 72.4 secs Computing kpt #: 384 total cpu time spent up to now is 72.6 secs Computing kpt #: 385 total cpu time spent up to now is 72.8 secs ethr = 3.57E-08, avg # of iterations = 12.0 total cpu time spent up to now is 72.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2033 PWs) bands (ev): -5.0613 -5.0613 -3.3274 -3.3274 2.9392 2.9392 6.1692 6.1692 6.1912 6.1912 8.0230 8.0230 8.7299 8.7299 8.8422 8.8422 8.8640 8.8640 8.9517 8.9517 8.9689 8.9689 9.0911 9.0911 9.1582 9.1582 9.9635 9.9635 10.0048 10.0048 10.8488 10.8488 12.6892 12.6892 12.7132 12.7132 k = 0.0094 0.0054-0.0000 ( 2033 PWs) bands (ev): -5.0603 -5.0603 -3.3270 -3.3270 2.9405 2.9405 6.1685 6.1685 6.1904 6.1904 8.0208 8.0208 8.7137 8.7137 8.8113 8.8113 8.8320 8.8320 8.9772 8.9772 8.9987 8.9987 9.1001 9.1001 9.1693 9.1693 9.9637 9.9637 10.0051 10.0051 10.8487 10.8487 12.6851 12.6851 12.7097 12.7097 k = 0.0189 0.0109-0.0000 ( 2037 PWs) bands (ev): -5.0572 -5.0572 -3.3257 -3.3257 2.9445 2.9445 6.1659 6.1659 6.1886 6.1886 8.0140 8.0140 8.6718 8.6718 8.7506 8.7506 8.7730 8.7730 9.0227 9.0227 9.0520 9.0520 9.1154 9.1154 9.2061 9.2061 9.9641 9.9641 10.0060 10.0060 10.8483 10.8483 12.6711 12.6711 12.7015 12.7015 k = 0.0283 0.0163-0.0000 ( 2035 PWs) bands (ev): -5.0520 -5.0520 -3.3237 -3.3237 2.9511 2.9511 6.1606 6.1606 6.1865 6.1865 8.0016 8.0016 8.6150 8.6150 8.6816 8.6816 8.7084 8.7084 9.0670 9.0670 9.1074 9.1074 9.1315 9.1315 9.2638 9.2638 9.9651 9.9651 10.0079 10.0079 10.8476 10.8476 12.6450 12.6450 12.6919 12.6919 k = 0.0377 0.0218-0.0000 ( 2033 PWs) bands (ev): -5.0448 -5.0448 -3.3209 -3.3209 2.9603 2.9603 6.1520 6.1520 6.1847 6.1847 7.9824 7.9824 8.5501 8.5501 8.6102 8.6102 8.6426 8.6426 9.0991 9.0991 9.1483 9.1483 9.1715 9.1715 9.3312 9.3312 9.9665 9.9665 10.0112 10.0112 10.8468 10.8468 12.6082 12.6082 12.6810 12.6810 k = 0.0472 0.0272-0.0000 ( 2033 PWs) bands (ev): -5.0355 -5.0355 -3.3173 -3.3173 2.9721 2.9721 6.1399 6.1399 6.1836 6.1836 7.9543 7.9543 8.4809 8.4809 8.5398 8.5398 8.5771 8.5771 9.1159 9.1159 9.1844 9.1844 9.2283 9.2283 9.4016 9.4016 9.9680 9.9680 10.0164 10.0164 10.8456 10.8456 12.5629 12.5629 12.6682 12.6682 k = 0.0566 0.0327-0.0000 ( 2041 PWs) bands (ev): -5.0242 -5.0242 -3.3129 -3.3129 2.9866 2.9866 6.1245 6.1245 6.1830 6.1830 7.9148 7.9148 8.4091 8.4091 8.4737 8.4737 8.5125 8.5125 9.1263 9.1263 9.2225 9.2225 9.2861 9.2861 9.4715 9.4715 9.9696 9.9696 10.0248 10.0248 10.8440 10.8440 12.5111 12.5111 12.6536 12.6536 k = 0.0660 0.0381-0.0000 ( 2042 PWs) bands (ev): -5.0109 -5.0109 -3.3078 -3.3078 3.0036 3.0036 6.1059 6.1059 6.1827 6.1827 7.8615 7.8615 8.3355 8.3355 8.4150 8.4150 8.4496 8.4496 9.1357 9.1357 9.2590 9.2590 9.3436 9.3436 9.5382 9.5382 9.9712 9.9712 10.0383 10.0383 10.8423 10.8423 12.4541 12.4541 12.6371 12.6371 k = 0.0755 0.0436-0.0000 ( 2038 PWs) bands (ev): -4.9955 -4.9955 -3.3019 -3.3019 3.0232 3.0232 6.0844 6.0844 6.1825 6.1825 7.7931 7.7931 8.2605 8.2605 8.3634 8.3634 8.3910 8.3910 9.1454 9.1454 9.2930 9.2930 9.4002 9.4002 9.5991 9.5991 9.9724 9.9724 10.0589 10.0589 10.8404 10.8404 12.3933 12.3933 12.6192 12.6192 k = 0.0849 0.0490-0.0000 ( 2038 PWs) bands (ev): -4.9782 -4.9782 -3.2953 -3.2953 3.0454 3.0454 6.0601 6.0601 6.1825 6.1825 7.7100 7.7100 8.1848 8.1848 8.3104 8.3104 8.3450 8.3450 9.1555 9.1555 9.3245 9.3245 9.4557 9.4557 9.6514 9.6514 9.9733 9.9733 10.0888 10.0888 10.8381 10.8381 12.3297 12.3297 12.6001 12.6001 k = 0.0943 0.0545-0.0000 ( 2038 PWs) bands (ev): -4.9589 -4.9589 -3.2880 -3.2880 3.0701 3.0701 6.0330 6.0330 6.1825 6.1825 7.6141 7.6141 8.1089 8.1089 8.2517 8.2517 8.3144 8.3144 9.1663 9.1663 9.3537 9.3537 9.5097 9.5097 9.6933 9.6933 9.9737 9.9737 10.1295 10.1295 10.8355 10.8355 12.2640 12.2640 12.5801 12.5801 k = 0.1038 0.0599-0.0000 ( 2044 PWs) bands (ev): -4.9376 -4.9376 -3.2801 -3.2801 3.0973 3.0973 6.0032 6.0032 6.1825 6.1825 7.5077 7.5077 8.0332 8.0332 8.1917 8.1917 8.2929 8.2929 9.1779 9.1779 9.3809 9.3809 9.5620 9.5620 9.7245 9.7245 9.9738 9.9738 10.1811 10.1811 10.8326 10.8326 12.1969 12.1969 12.5595 12.5595 k = 0.1132 0.0654-0.0000 ( 2044 PWs) bands (ev): -4.9144 -4.9144 -3.2714 -3.2714 3.1270 3.1270 5.9710 5.9710 6.1825 6.1825 7.3931 7.3931 7.9581 7.9581 8.1319 8.1319 8.2773 8.2773 9.1904 9.1904 9.4064 9.4064 9.6123 9.6123 9.7462 9.7462 9.9736 9.9736 10.2422 10.2422 10.8295 10.8295 12.1289 12.1289 12.5388 12.5388 k = 0.1226 0.0708-0.0000 ( 2038 PWs) bands (ev): -4.8893 -4.8893 -3.2622 -3.2622 3.1592 3.1592 5.9362 5.9362 6.1825 6.1825 7.2723 7.2723 7.8838 7.8838 8.0729 8.0729 8.2657 8.2657 9.2037 9.2037 9.4306 9.4306 9.6605 9.6605 9.7603 9.7603 9.9734 9.9734 10.3106 10.3106 10.8263 10.8263 12.0605 12.0605 12.5183 12.5183 k = 0.1321 0.0763-0.0000 ( 2042 PWs) bands (ev): -4.8624 -4.8624 -3.2524 -3.2524 3.1938 3.1938 5.8989 5.8989 6.1823 6.1823 7.1468 7.1468 7.8103 7.8103 8.0147 8.0147 8.2567 8.2567 9.2178 9.2178 9.4535 9.4535 9.7062 9.7062 9.7688 9.7688 9.9729 9.9729 10.3840 10.3840 10.8229 10.8229 11.9920 11.9920 12.4982 12.4982 k = 0.1415 0.0817-0.0000 ( 2046 PWs) bands (ev): -4.8336 -4.8336 -3.2421 -3.2421 3.2309 3.2309 5.8591 5.8591 6.1820 6.1820 7.0179 7.0179 7.7378 7.7378 7.9577 7.9577 8.2495 8.2495 9.2327 9.2327 9.4755 9.4755 9.7484 9.7484 9.7740 9.7740 9.9725 9.9725 10.4604 10.4604 10.8196 10.8196 11.9237 11.9237 12.4788 12.4788 k = 0.1509 0.0871-0.0000 ( 2052 PWs) bands (ev): -4.8031 -4.8031 -3.2312 -3.2312 3.2702 3.2702 5.8169 5.8169 6.1816 6.1816 6.8867 6.8867 7.6663 7.6663 7.9017 7.9017 8.2436 8.2436 9.2482 9.2482 9.4968 9.4968 9.7706 9.7706 9.7935 9.7935 9.9720 9.9720 10.5381 10.5381 10.8169 10.8169 11.8558 11.8558 12.4606 12.4606 k = 0.1604 0.0926-0.0000 ( 2052 PWs) bands (ev): -4.7708 -4.7708 -3.2199 -3.2199 3.3119 3.3119 5.7722 5.7722 6.1811 6.1811 6.7541 6.7541 7.5959 7.5959 7.8471 7.8471 8.2385 8.2385 9.2645 9.2645 9.5177 9.5177 9.7706 9.7706 9.8300 9.8300 9.9718 9.9718 10.6148 10.6149 10.8160 10.8160 11.7887 11.7887 12.4439 12.4439 k = 0.1698 0.0980-0.0000 ( 2056 PWs) bands (ev): -4.7368 -4.7368 -3.2082 -3.2082 3.3558 3.3558 5.7247 5.7247 6.1803 6.1803 6.6212 6.6212 7.5266 7.5266 7.7937 7.7937 8.2339 8.2339 9.2811 9.2811 9.5382 9.5382 9.7678 9.7678 9.8646 9.8646 9.9718 9.9718 10.6855 10.6855 10.8213 10.8213 11.7224 11.7224 12.4287 12.4287 k = 0.1792 0.1035-0.0000 ( 2054 PWs) bands (ev): -4.7012 -4.7012 -3.1962 -3.1962 3.4020 3.4020 5.6744 5.6744 6.1795 6.1795 6.4889 6.4889 7.4585 7.4585 7.7417 7.7417 8.2296 8.2296 9.2985 9.2985 9.5584 9.5584 9.7634 9.7634 9.8962 9.8962 9.9724 9.9724 10.7358 10.7358 10.8465 10.8465 11.6573 11.6573 12.4153 12.4153 k = 0.1887 0.1089-0.0000 ( 2046 PWs) bands (ev): -4.6640 -4.6640 -3.1838 -3.1838 3.4504 3.4504 5.6207 5.6207 6.1784 6.1784 6.3582 6.3582 7.3916 7.3916 7.6913 7.6913 8.2254 8.2254 9.3163 9.3163 9.5784 9.5784 9.7581 9.7581 9.9242 9.9242 9.9739 9.9739 10.7541 10.7541 10.9027 10.9027 11.5936 11.5936 12.4040 12.4040 k = 0.1981 0.1144-0.0000 ( 2044 PWs) bands (ev): -4.6252 -4.6252 -3.1712 -3.1712 3.5008 3.5008 5.5631 5.5631 6.1769 6.1769 6.2304 6.2304 7.3259 7.3259 7.6423 7.6423 8.2212 8.2212 9.3344 9.3344 9.5982 9.5982 9.7519 9.7519 9.9468 9.9468 9.9778 9.9778 10.7555 10.7555 10.9745 10.9745 11.5313 11.5313 12.3947 12.3947 k = 0.2075 0.1198-0.0000 ( 2048 PWs) bands (ev): -4.5850 -4.5850 -3.1584 -3.1584 3.5533 3.5533 5.5008 5.5008 6.1064 6.1064 6.1756 6.1756 7.2613 7.2613 7.5949 7.5949 8.2167 8.2167 9.3528 9.3528 9.6177 9.6177 9.7450 9.7450 9.9604 9.9604 9.9879 9.9879 10.7509 10.7509 11.0501 11.0501 11.4708 11.4708 12.3877 12.3877 k = 0.2170 0.1253-0.0000 ( 2048 PWs) bands (ev): -4.5434 -4.5434 -3.1455 -3.1455 3.6078 3.6078 5.4327 5.4327 5.9886 5.9886 6.1736 6.1736 7.1980 7.1980 7.5491 7.5491 8.2120 8.2120 9.3713 9.3713 9.6368 9.6368 9.7381 9.7381 9.9660 9.9660 10.0033 10.0033 10.7435 10.7435 11.1262 11.1262 11.4123 11.4123 12.3828 12.3828 k = 0.2264 0.1307-0.0000 ( 2052 PWs) bands (ev): -4.5004 -4.5004 -3.1326 -3.1326 3.6642 3.6642 5.3577 5.3577 5.8780 5.8780 6.1713 6.1713 7.1358 7.1358 7.5051 7.5051 8.2069 8.2069 9.3897 9.3897 9.6548 9.6548 9.7317 9.7317 9.9690 9.9690 10.0188 10.0188 10.7345 10.7345 11.2011 11.2011 11.3561 11.3561 12.3802 12.3802 k = 0.2358 0.1362-0.0000 ( 2048 PWs) bands (ev): -4.4562 -4.4562 -3.1197 -3.1197 3.7224 3.7224 5.2749 5.2749 5.7762 5.7762 6.1688 6.1688 7.0749 7.0749 7.4628 7.4628 8.2013 8.2013 9.4083 9.4083 9.6701 9.6701 9.7274 9.7274 9.9716 9.9716 10.0324 10.0324 10.7243 10.7243 11.2705 11.2705 11.3059 11.3059 12.3798 12.3798 k = 0.2453 0.1416-0.0000 ( 2048 PWs) bands (ev): -4.4108 -4.4108 -3.1068 -3.1068 3.7824 3.7824 5.1838 5.1838 5.6839 5.6839 6.1659 6.1659 7.0152 7.0152 7.4222 7.4222 8.1953 8.1953 9.4265 9.4265 9.6793 9.6793 9.7288 9.7288 9.9743 9.9743 10.0436 10.0436 10.7131 10.7131 11.2470 11.2470 11.3489 11.3489 12.3815 12.3815 k = 0.2547 0.1471-0.0000 ( 2044 PWs) bands (ev): -4.3644 -4.3644 -3.0942 -3.0942 3.8440 3.8440 5.0852 5.0852 5.6012 5.6012 6.1626 6.1626 6.9566 6.9566 7.3834 7.3834 8.1889 8.1889 9.4443 9.4443 9.6797 9.6797 9.7385 9.7385 9.9773 9.9773 10.0524 10.0524 10.7008 10.7008 11.1985 11.1985 11.4170 11.4170 12.3852 12.3852 k = 0.2642 0.1525-0.0000 ( 2050 PWs) bands (ev): -4.3169 -4.3169 -3.0819 -3.0819 3.9072 3.9072 4.9803 4.9803 5.5269 5.5269 6.1590 6.1590 6.8992 6.8992 7.3464 7.3464 8.1818 8.1818 9.4615 9.4615 9.6741 9.6741 9.7536 9.7536 9.9809 9.9809 10.0588 10.0588 10.6874 10.6874 11.1521 11.1521 11.4827 11.4827 12.3907 12.3907 k = 0.2736 0.1580-0.0000 ( 2050 PWs) bands (ev): -4.2686 -4.2686 -3.0698 -3.0698 3.9719 3.9719 4.8710 4.8710 5.4597 5.4597 6.1550 6.1550 6.8430 6.8430 7.3113 7.3113 8.1742 8.1742 9.4781 9.4781 9.6658 9.6658 9.7708 9.7708 9.9851 9.9851 10.0631 10.0631 10.6732 10.6732 11.1084 11.1084 11.5454 11.5454 12.3979 12.3979 k = 0.2830 0.1634-0.0000 ( 2054 PWs) bands (ev): -4.2194 -4.2194 -3.0583 -3.0583 4.0379 4.0379 4.7591 4.7591 5.3982 5.3982 6.1507 6.1507 6.7878 6.7878 7.2781 7.2781 8.1661 8.1661 9.4937 9.4937 9.6563 9.6563 9.7886 9.7886 9.9899 9.9899 10.0655 10.0655 10.6580 10.6580 11.0677 11.0677 11.6044 11.6044 12.4066 12.4066 k = 0.2925 0.1688-0.0000 ( 2054 PWs) bands (ev): -4.1696 -4.1696 -3.0473 -3.0473 4.1052 4.1052 4.6461 4.6461 5.3413 5.3413 6.1461 6.1461 6.7337 6.7337 7.2467 7.2467 8.1576 8.1576 9.5082 9.5082 9.6464 9.6464 9.8062 9.8062 9.9954 9.9954 10.0662 10.0662 10.6421 10.6421 11.0301 11.0301 11.6597 11.6597 12.4167 12.4167 k = 0.3019 0.1743-0.0000 ( 2054 PWs) bands (ev): -4.1192 -4.1192 -3.0369 -3.0369 4.1735 4.1735 4.5332 4.5332 5.2882 5.2882 6.1412 6.1412 6.6806 6.6806 7.2171 7.2171 8.1485 8.1485 9.5211 9.5211 9.6365 9.6365 9.8235 9.8235 10.0014 10.0014 10.0656 10.0656 10.6252 10.6252 10.9958 10.9958 11.7109 11.7109 12.4279 12.4279 k = 0.3113 0.1797-0.0000 ( 2054 PWs) bands (ev): -4.0684 -4.0684 -3.0272 -3.0272 4.2427 4.2427 4.4216 4.4216 5.2383 5.2383 6.1358 6.1358 6.6284 6.6284 7.1894 7.1894 8.1391 8.1391 9.5320 9.5320 9.6273 9.6273 9.8401 9.8401 10.0081 10.0081 10.0639 10.0639 10.6075 10.6075 10.9648 10.9648 11.7577 11.7577 12.4399 12.4399 k = 0.3208 0.1852-0.0000 ( 2060 PWs) bands (ev): -4.0173 -4.0173 -3.0184 -3.0184 4.3031 4.3031 4.3216 4.3216 5.1911 5.1911 6.1303 6.1303 6.5770 6.5770 7.1635 7.1635 8.1292 8.1292 9.5399 9.5399 9.6194 9.6194 9.8557 9.8557 10.0149 10.0149 10.0614 10.0614 10.5891 10.5891 10.9370 10.9370 11.8001 11.8001 12.4527 12.4527 k = 0.3302 0.1906-0.0000 ( 2060 PWs) bands (ev): -3.9661 -3.9661 -3.0106 -3.0106 4.2034 4.2034 4.3851 4.3851 5.1464 5.1464 6.1246 6.1246 6.5265 6.5265 7.1394 7.1394 8.1190 8.1190 9.5438 9.5438 9.6143 9.6143 9.8703 9.8703 10.0217 10.0217 10.0590 10.0590 10.5702 10.5702 10.9126 10.9126 11.8381 11.8381 12.4660 12.4660 k = 0.3396 0.1961-0.0000 ( 2060 PWs) bands (ev): -3.9148 -3.9148 -3.0038 -3.0038 4.0993 4.0993 4.4565 4.4565 5.1041 5.1041 6.1186 6.1186 6.4767 6.4767 7.1170 7.1170 8.1086 8.1086 9.5427 9.5427 9.6129 9.6129 9.8836 9.8836 10.0273 10.0273 10.0577 10.0577 10.5508 10.5508 10.8915 10.8915 11.8716 11.8716 12.4797 12.4797 k = 0.3491 0.2015-0.0000 ( 2060 PWs) bands (ev): -3.8637 -3.8637 -2.9982 -2.9982 3.9986 3.9986 4.5285 4.5285 5.0641 5.0641 6.1126 6.1126 6.4275 6.4275 7.0964 7.0964 8.0980 8.0980 9.5369 9.5369 9.6148 9.6148 9.8956 9.8956 10.0299 10.0299 10.0595 10.0595 10.5311 10.5311 10.8735 10.8735 11.9007 11.9007 12.4934 12.4934 k = 0.3585 0.2070-0.0000 ( 2056 PWs) bands (ev): -3.8129 -3.8129 -2.9938 -2.9938 3.9019 3.9019 4.6009 4.6009 5.0263 5.0263 6.1065 6.1065 6.3788 6.3788 7.0774 7.0774 8.0874 8.0874 9.5278 9.5278 9.6188 9.6188 9.9061 9.9061 10.0291 10.0291 10.0651 10.0651 10.5113 10.5113 10.8587 10.8587 11.9255 11.9255 12.5072 12.5072 k = 0.3679 0.2124-0.0000 ( 2056 PWs) bands (ev): -3.7625 -3.7625 -2.9908 -2.9908 3.8094 3.8094 4.6734 4.6734 4.9907 4.9907 6.1004 6.1004 6.3304 6.3304 7.0600 7.0600 8.0768 8.0768 9.5166 9.5166 9.6237 9.6237 9.9151 9.9151 10.0260 10.0260 10.0731 10.0731 10.4915 10.4915 10.8467 10.8467 11.9462 11.9462 12.5207 12.5207 k = 0.3774 0.2179-0.0000 ( 2056 PWs) bands (ev): -3.7128 -3.7128 -2.9892 -2.9892 3.7217 3.7217 4.7458 4.7458 4.9573 4.9573 6.0943 6.0943 6.2824 6.2824 7.0442 7.0442 8.0664 8.0664 9.5044 9.5044 9.6286 9.6286 9.9223 9.9223 10.0222 10.0222 10.0823 10.0823 10.4720 10.4720 10.8375 10.8375 11.9632 11.9632 12.5339 12.5339 k = 0.3868 0.2233-0.0000 ( 2054 PWs) bands (ev): -3.6639 -3.6639 -2.9893 -2.9893 3.6390 3.6390 4.8180 4.8180 4.9262 4.9262 6.0883 6.0883 6.2346 6.2346 7.0298 7.0298 8.0562 8.0562 9.4916 9.4916 9.6333 9.6333 9.9279 9.9279 10.0183 10.0183 10.0920 10.0920 10.4529 10.4529 10.8307 10.8307 11.9768 11.9768 12.5466 12.5466 k = 0.3962 0.2288-0.0000 ( 2062 PWs) bands (ev): -3.6160 -3.6160 -2.9910 -2.9910 3.5616 3.5616 4.8877 4.8877 4.8995 4.8995 6.0825 6.0825 6.1867 6.1867 7.0169 7.0169 8.0463 8.0463 9.4783 9.4783 9.6376 9.6376 9.9317 9.9317 10.0145 10.0145 10.1017 10.1017 10.4344 10.4344 10.8260 10.8260 11.9874 11.9874 12.5587 12.5587 k = 0.4057 0.2342-0.0000 ( 2058 PWs) bands (ev): -3.5693 -3.5693 -2.9943 -2.9943 3.4899 3.4899 4.8702 4.8702 4.9617 4.9617 6.0768 6.0768 6.1388 6.1388 7.0053 7.0053 8.0369 8.0369 9.4652 9.4652 9.6415 9.6415 9.9343 9.9343 10.0115 10.0115 10.1114 10.1114 10.4168 10.4168 10.8233 10.8233 11.9954 11.9954 12.5701 12.5701 k = 0.4151 0.2397-0.0000 ( 2062 PWs) bands (ev): -3.5240 -3.5240 -2.9995 -2.9995 3.4241 3.4241 4.8461 4.8461 5.0322 5.0322 6.0711 6.0711 6.0909 6.0909 6.9950 6.9950 8.0280 8.0280 9.4524 9.4524 9.6448 9.6448 9.9353 9.9353 10.0090 10.0090 10.1205 10.1205 10.4002 10.4002 10.8221 10.8221 12.0012 12.0012 12.5807 12.5807 k = 0.4245 0.2451-0.0000 ( 2058 PWs) bands (ev): -3.4804 -3.4804 -3.0065 -3.0065 3.3644 3.3644 4.8243 4.8243 5.1019 5.1019 6.0408 6.0408 6.0676 6.0676 6.9860 6.9860 8.0198 8.0198 9.4401 9.4401 9.6477 9.6477 9.9353 9.9353 10.0072 10.0072 10.1292 10.1292 10.3849 10.3849 10.8220 10.8220 12.0052 12.0052 12.5905 12.5905 k = 0.4340 0.2505-0.0000 ( 2062 PWs) bands (ev): -3.4386 -3.4386 -3.0152 -3.0152 3.3111 3.3111 4.8049 4.8049 5.1707 5.1707 5.9918 5.9918 6.0628 6.0628 6.9782 6.9782 8.0123 8.0123 9.4286 9.4286 9.6501 9.6501 9.9344 9.9344 10.0058 10.0058 10.1371 10.1371 10.3710 10.3710 10.8228 10.8228 12.0077 12.0077 12.5992 12.5992 k = 0.4434 0.2560-0.0000 ( 2058 PWs) bands (ev): -3.3991 -3.3991 -3.0257 -3.0257 3.2644 3.2644 4.7881 4.7881 5.2383 5.2383 5.9417 5.9417 6.0589 6.0589 6.9715 6.9715 8.0058 8.0058 9.4180 9.4180 9.6522 9.6522 9.9330 9.9330 10.0047 10.0047 10.1443 10.1443 10.3588 10.3588 10.8243 10.8243 12.0093 12.0093 12.6069 12.6069 k = 0.4528 0.2614-0.0000 ( 2058 PWs) bands (ev): -3.3622 -3.3622 -3.0376 -3.0376 3.2246 3.2246 4.7737 4.7737 5.3046 5.3046 5.8907 5.8907 6.0554 6.0554 6.9660 6.9660 8.0000 8.0000 9.4086 9.4086 9.6538 9.6538 9.9314 9.9314 10.0039 10.0039 10.1504 10.1504 10.3483 10.3483 10.8260 10.8260 12.0100 12.0100 12.6135 12.6135 k = 0.4623 0.2669-0.0000 ( 2058 PWs) bands (ev): -3.3285 -3.3285 -3.0506 -3.0506 3.1918 3.1918 4.7619 4.7619 5.3695 5.3695 5.8387 5.8387 6.0526 6.0526 6.9615 6.9615 7.9952 7.9952 9.4006 9.4006 9.6551 9.6551 9.9299 9.9299 10.0033 10.0033 10.1556 10.1556 10.3396 10.3396 10.8278 10.8278 12.0103 12.0103 12.6190 12.6190 k = 0.4717 0.2723-0.0000 ( 2056 PWs) bands (ev): -3.2988 -3.2988 -3.0640 -3.0640 3.1661 3.1661 4.7527 4.7527 5.4328 5.4328 5.7856 5.7856 6.0503 6.0503 6.9580 6.9580 7.9914 7.9914 9.3941 9.3941 9.6561 9.6561 9.9285 9.9285 10.0029 10.0029 10.1596 10.1596 10.3328 10.3328 10.8295 10.8295 12.0102 12.0102 12.6233 12.6233 k = 0.4811 0.2778-0.0000 ( 2056 PWs) bands (ev): -3.2747 -3.2747 -3.0765 -3.0765 3.1476 3.1476 4.7461 4.7461 5.4944 5.4944 5.7315 5.7315 6.0487 6.0487 6.9555 6.9555 7.9886 7.9886 9.3893 9.3893 9.6568 9.6568 9.9274 9.9274 10.0026 10.0026 10.1624 10.1624 10.3280 10.3280 10.8308 10.8308 12.0101 12.0101 12.6264 12.6264 k = 0.4906 0.2832-0.0000 ( 2060 PWs) bands (ev): -3.2582 -3.2582 -3.0859 -3.0859 3.1365 3.1365 4.7421 4.7421 5.5532 5.5532 5.6772 5.6772 6.0477 6.0477 6.9541 6.9541 7.9869 7.9869 9.3864 9.3864 9.6571 9.6571 9.9267 9.9267 10.0024 10.0024 10.1642 10.1642 10.3251 10.3251 10.8316 10.8316 12.0100 12.0100 12.6282 12.6282 k = 0.5000 0.2887-0.0000 ( 2062 PWs) bands (ev): -3.2523 -3.2523 -3.0895 -3.0895 3.1328 3.1328 4.7408 4.7408 5.5951 5.5951 5.6368 5.6368 6.0474 6.0474 6.9536 6.9536 7.9864 7.9864 9.3854 9.3854 9.6573 9.6573 9.9265 9.9265 10.0024 10.0024 10.1647 10.1647 10.3241 10.3241 10.8318 10.8318 12.0099 12.0099 12.6288 12.6288 k = 0.5000 0.2887-0.0000 ( 2062 PWs) bands (ev): -3.2523 -3.2523 -3.0895 -3.0895 3.1328 3.1328 4.7408 4.7408 5.5951 5.5951 5.6368 5.6368 6.0474 6.0474 6.9536 6.9536 7.9864 7.9864 9.3854 9.3854 9.6573 9.6573 9.9265 9.9265 10.0024 10.0024 10.1647 10.1647 10.3241 10.3241 10.8318 10.8318 12.0099 12.0099 12.6288 12.6288 k = 0.4946 0.2980-0.0000 ( 2063 PWs) bands (ev): -3.2519 -3.2519 -3.0891 -3.0891 3.1337 3.1337 4.7407 4.7407 5.5957 5.5957 5.6369 5.6369 6.0471 6.0471 6.9410 6.9410 7.9960 7.9960 9.3859 9.3859 9.6579 9.6579 9.9262 9.9262 10.0022 10.0022 10.1649 10.1649 10.3238 10.3238 10.8328 10.8328 12.0088 12.0088 12.6204 12.6204 k = 0.4892 0.3073-0.0000 ( 2055 PWs) bands (ev): -3.2508 -3.2508 -3.0880 -3.0880 3.1366 3.1366 4.7404 4.7404 5.5976 5.5976 5.6371 5.6371 6.0461 6.0461 6.9049 6.9049 8.0237 8.0237 9.3872 9.3872 9.6598 9.6598 9.9255 9.9255 10.0019 10.0019 10.1653 10.1653 10.3230 10.3230 10.8362 10.8362 12.0057 12.0057 12.5958 12.5958 k = 0.4839 0.3166-0.0000 ( 2059 PWs) bands (ev): -3.2490 -3.2490 -3.0862 -3.0862 3.1412 3.1412 4.7399 4.7399 5.6006 5.6006 5.6374 5.6374 6.0444 6.0444 6.8487 6.8487 8.0659 8.0659 9.3894 9.3894 9.6630 9.6630 9.9241 9.9241 10.0010 10.0010 10.1661 10.1661 10.3217 10.3217 10.8415 10.8415 12.0004 12.0004 12.5566 12.5566 k = 0.4785 0.3259-0.0000 ( 2059 PWs) bands (ev): -3.2464 -3.2464 -3.0837 -3.0837 3.1477 3.1477 4.7391 4.7391 5.6049 5.6049 5.6378 5.6378 6.0421 6.0421 6.7769 6.7769 8.1185 8.1185 9.3925 9.3925 9.6671 9.6671 9.9221 9.9221 9.9998 9.9998 10.1673 10.1673 10.3198 10.3198 10.8488 10.8488 11.9929 11.9929 12.5053 12.5053 k = 0.4731 0.3352-0.0000 ( 2055 PWs) bands (ev): -3.2431 -3.2431 -3.0805 -3.0805 3.1561 3.1561 4.7381 4.7381 5.6103 5.6103 5.6384 5.6384 6.0392 6.0392 6.6932 6.6932 8.1775 8.1775 9.3964 9.3964 9.6724 9.6724 9.9196 9.9196 9.9983 9.9983 10.1690 10.1690 10.3174 10.3174 10.8582 10.8582 11.9832 11.9832 12.4445 12.4445 k = 0.4677 0.3445-0.0000 ( 2053 PWs) bands (ev): -3.2392 -3.2392 -3.0766 -3.0766 3.1662 3.1662 4.7369 4.7369 5.6169 5.6169 5.6391 5.6391 6.0356 6.0356 6.6008 6.6008 8.2402 8.2402 9.4011 9.4011 9.6787 9.6787 9.9164 9.9164 9.9963 9.9963 10.1714 10.1714 10.3145 10.3145 10.8694 10.8694 11.9712 11.9712 12.3766 12.3766 k = 0.4624 0.3539-0.0000 ( 2053 PWs) bands (ev): -3.2345 -3.2345 -3.0722 -3.0722 3.1781 3.1781 4.7355 4.7355 5.6245 5.6245 5.6400 5.6400 6.0315 6.0315 6.5022 6.5022 8.3045 8.3045 9.4066 9.4066 9.6854 9.6854 9.9127 9.9127 9.9938 9.9938 10.1745 10.1745 10.3110 10.3110 10.8824 10.8824 11.9568 11.9568 12.3041 12.3041 k = 0.4570 0.3632-0.0000 ( 2053 PWs) bands (ev): -3.2292 -3.2292 -3.0671 -3.0671 3.1917 3.1917 4.7339 4.7339 5.6330 5.6330 5.6412 5.6412 6.0266 6.0266 6.3992 6.3992 8.3689 8.3689 9.4130 9.4130 9.6929 9.6929 9.9083 9.9083 9.9908 9.9908 10.1786 10.1786 10.3071 10.3071 10.8969 10.8969 11.9398 11.9398 12.2288 12.2288 k = 0.4516 0.3725-0.0000 ( 2053 PWs) bands (ev): -3.2232 -3.2232 -3.0616 -3.0616 3.2070 3.2070 4.7320 4.7320 5.6412 5.6412 5.6437 5.6437 6.0210 6.0210 6.2931 6.2931 8.4323 8.4323 9.4202 9.4202 9.7006 9.7006 9.9034 9.9034 9.9871 9.9871 10.1840 10.1840 10.3027 10.3027 10.9127 10.9127 11.9200 11.9200 12.1525 12.1525 k = 0.4462 0.3818-0.0000 ( 2059 PWs) bands (ev): -3.2166 -3.2166 -3.0556 -3.0556 3.2239 3.2239 4.7299 4.7299 5.6435 5.6435 5.6532 5.6532 6.0148 6.0148 6.1851 6.1851 8.4939 8.4939 9.4281 9.4281 9.7084 9.7084 9.8978 9.8978 9.9828 9.9828 10.1906 10.1906 10.2979 10.2979 10.9298 10.9298 11.8973 11.8973 12.0765 12.0765 k = 0.4409 0.3911-0.0000 ( 2053 PWs) bands (ev): -3.2093 -3.2093 -3.0492 -3.0492 3.2424 3.2424 4.7276 4.7276 5.6453 5.6453 5.6642 5.6642 6.0075 6.0075 6.0767 6.0767 8.5535 8.5535 9.4369 9.4369 9.7160 9.7160 9.8918 9.8918 9.9779 9.9779 10.1989 10.1989 10.2930 10.2930 10.9478 10.9478 11.8713 11.8713 12.0024 12.0024 k = 0.4355 0.4004-0.0000 ( 2049 PWs) bands (ev): -3.2015 -3.2015 -3.0425 -3.0425 3.2624 3.2624 4.7250 4.7250 5.6471 5.6471 5.6758 5.6758 5.9644 5.9644 6.0034 6.0034 8.6107 8.6107 9.4463 9.4463 9.7230 9.7230 9.8851 9.8851 9.9722 9.9722 10.2085 10.2085 10.2883 10.2883 10.9666 10.9666 11.8408 11.8408 11.9318 11.9318 k = 0.4301 0.4097-0.0000 ( 2049 PWs) bands (ev): -3.1932 -3.1932 -3.0356 -3.0356 3.2837 3.2837 4.7222 4.7222 5.6490 5.6490 5.6880 5.6880 5.8572 5.8572 5.9943 5.9943 8.6654 8.6654 9.4564 9.4564 9.7294 9.7294 9.8780 9.8780 9.9659 9.9659 10.2190 10.2190 10.2842 10.2842 10.9858 10.9858 11.8040 11.8040 11.8672 11.8672 k = 0.4247 0.4190-0.0000 ( 2049 PWs) bands (ev): -3.1844 -3.1844 -3.0285 -3.0285 3.3064 3.3064 4.7191 4.7191 5.6501 5.6501 5.7004 5.7004 5.7510 5.7510 5.9860 5.9860 8.7174 8.7174 9.4672 9.4672 9.7348 9.7348 9.8703 9.8703 9.9589 9.9589 10.2289 10.2289 10.2829 10.2829 11.0053 11.0053 11.7575 11.7575 11.8125 11.8125 k = 0.4194 0.4284-0.0000 ( 2049 PWs) bands (ev): -3.1750 -3.1750 -3.0214 -3.0214 3.3302 3.3302 4.7158 4.7158 5.6299 5.6299 5.6677 5.6677 5.7134 5.7134 5.9774 5.9774 8.7667 8.7667 9.4787 9.4787 9.7391 9.7391 9.8623 9.8623 9.9512 9.9512 10.2347 10.2347 10.2876 10.2876 11.0247 11.0247 11.7027 11.7027 11.7665 11.7665 k = 0.4140 0.4377-0.0000 ( 2049 PWs) bands (ev): -3.1653 -3.1653 -3.0143 -3.0143 3.3549 3.3549 4.7123 4.7123 5.5346 5.5346 5.6622 5.6622 5.7261 5.7261 5.9686 5.9686 8.8133 8.8133 9.4908 9.4908 9.7421 9.7421 9.8539 9.8539 9.9430 9.9430 10.2342 10.2342 10.3011 10.3011 11.0439 11.0439 11.6461 11.6461 11.7234 11.7234 k = 0.4086 0.4470-0.0000 ( 2049 PWs) bands (ev): -3.1552 -3.1552 -3.0074 -3.0074 3.3805 3.3805 4.7085 4.7085 5.4342 5.4342 5.6650 5.6650 5.7388 5.7388 5.9596 5.9596 8.8573 8.8573 9.5033 9.5033 9.7436 9.7436 9.8453 9.8453 9.9342 9.9342 10.2290 10.2290 10.3215 10.3215 11.0627 11.0627 11.5912 11.5912 11.6796 11.6796 k = 0.4032 0.4563-0.0000 ( 2049 PWs) bands (ev): -3.1447 -3.1447 -3.0008 -3.0008 3.4068 3.4068 4.7045 4.7045 5.3362 5.3362 5.6689 5.6689 5.7511 5.7511 5.9504 5.9504 8.8987 8.8987 9.5163 9.5163 9.7438 9.7438 9.8366 9.8366 9.9250 9.9250 10.2214 10.2214 10.3469 10.3469 11.0809 11.0809 11.5394 11.5394 11.6342 11.6342 k = 0.3978 0.4656-0.0000 ( 2049 PWs) bands (ev): -3.1339 -3.1339 -2.9945 -2.9945 3.4333 3.4333 4.7002 4.7002 5.2419 5.2419 5.6736 5.6736 5.7629 5.7629 5.9412 5.9412 8.9375 8.9375 9.5297 9.5297 9.7425 9.7425 9.8279 9.8279 9.9155 9.9155 10.2125 10.2125 10.3760 10.3760 11.0983 11.0983 11.4911 11.4911 11.5868 11.5868 k = 0.3925 0.4749-0.0000 ( 2053 PWs) bands (ev): -3.1228 -3.1228 -2.9888 -2.9888 3.4600 3.4600 4.6957 4.6957 5.1520 5.1520 5.6788 5.6788 5.7740 5.7740 5.9321 5.9321 8.9735 8.9735 9.5434 9.5434 9.7399 9.7399 9.8193 9.8193 9.9058 9.9058 10.2027 10.2027 10.4083 10.4083 11.1147 11.1147 11.4466 11.4466 11.5376 11.5376 k = 0.3871 0.4842-0.0000 ( 2049 PWs) bands (ev): -3.1116 -3.1116 -2.9837 -2.9837 3.4863 3.4863 4.6910 4.6910 5.0670 5.0670 5.6847 5.6847 5.7842 5.7842 5.9231 5.9231 9.0072 9.0072 9.5572 9.5572 9.7361 9.7361 9.8110 9.8110 9.8960 9.8960 10.1924 10.1924 10.4437 10.4437 11.1301 11.1301 11.4055 11.4055 11.4872 11.4872 k = 0.3817 0.4935-0.0000 ( 2053 PWs) bands (ev): -3.1002 -3.1002 -2.9795 -2.9795 3.5120 3.5120 4.6861 4.6861 4.9878 4.9878 5.6912 5.6912 5.7932 5.7932 5.9144 5.9144 9.0382 9.0382 9.5712 9.5712 9.7313 9.7313 9.8031 9.8031 9.8864 9.8864 10.1816 10.1816 10.4815 10.4815 11.1443 11.1443 11.3672 11.3672 11.4365 11.4365 k = 0.3763 0.5029-0.0000 ( 2059 PWs) bands (ev): -3.0886 -3.0886 -2.9761 -2.9761 3.5365 3.5365 4.6810 4.6810 4.9149 4.9149 5.6983 5.6983 5.8007 5.8007 5.9061 5.9061 9.0666 9.0666 9.5849 9.5849 9.7255 9.7255 9.7958 9.7958 9.8771 9.8771 10.1708 10.1708 10.5216 10.5216 11.1570 11.1570 11.3296 11.3296 11.3877 11.3877 k = 0.3710 0.5122-0.0000 ( 2053 PWs) bands (ev): -3.0771 -3.0771 -2.9739 -2.9739 3.5594 3.5594 4.6758 4.6758 4.8493 4.8493 5.7062 5.7062 5.8067 5.8067 5.8984 5.8984 9.0924 9.0924 9.5985 9.5985 9.7190 9.7190 9.7892 9.7892 9.8683 9.8683 10.1602 10.1602 10.5638 10.5638 11.1684 11.1684 11.2888 11.2888 11.3455 11.3455 k = 0.3656 0.5215-0.0000 ( 2053 PWs) bands (ev): -3.0655 -3.0655 -2.9728 -2.9728 3.5801 3.5801 4.6704 4.6704 4.7916 4.7916 5.7147 5.7147 5.8108 5.8108 5.8913 5.8913 9.1151 9.1151 9.6116 9.6116 9.7120 9.7120 9.7832 9.7832 9.8601 9.8601 10.1499 10.1499 10.6080 10.6080 11.1781 11.1781 11.2416 11.2416 11.3134 11.3134 k = 0.3602 0.5308-0.0000 ( 2057 PWs) bands (ev): -3.0541 -3.0541 -2.9731 -2.9731 3.5980 3.5980 4.6648 4.6648 4.7427 4.7427 5.7239 5.7239 5.8128 5.8128 5.8850 5.8850 9.1348 9.1348 9.6239 9.6239 9.7047 9.7047 9.7780 9.7780 9.8526 9.8526 10.1403 10.1403 10.6538 10.6538 11.1820 11.1820 11.1936 11.1936 11.2902 11.2902 k = 0.3548 0.5401-0.0000 ( 2055 PWs) bands (ev): -3.0427 -3.0427 -2.9748 -2.9748 3.6127 3.6127 4.6590 4.6590 4.7035 4.7035 5.7339 5.7339 5.8124 5.8124 5.8795 5.8795 9.1511 9.1511 9.6353 9.6353 9.6975 9.6975 9.7739 9.7739 9.8462 9.8462 10.1317 10.1317 10.7008 10.7008 11.1342 11.1342 11.1937 11.1937 11.2734 11.2734 k = 0.3495 0.5494-0.0000 ( 2055 PWs) bands (ev): -3.0316 -3.0316 -2.9782 -2.9782 3.6239 3.6239 4.6521 4.6521 4.6752 4.6752 5.7447 5.7447 5.8094 5.8094 5.8751 5.8751 9.1641 9.1641 9.6455 9.6455 9.6905 9.6905 9.7707 9.7707 9.8409 9.8409 10.1243 10.1243 10.7487 10.7487 11.0804 11.0804 11.1976 11.1976 11.2618 11.2618 k = 0.3441 0.5587-0.0000 ( 2055 PWs) bands (ev): -3.0207 -3.0207 -2.9833 -2.9833 3.6315 3.6315 4.6431 4.6431 4.6592 4.6592 5.7563 5.7563 5.8036 5.8036 5.8718 5.8718 9.1734 9.1734 9.6540 9.6540 9.6841 9.6841 9.7686 9.7686 9.8370 9.8370 10.1187 10.1187 10.7964 10.7964 11.0282 11.0282 11.1996 11.1996 11.2548 11.2548 k = 0.3387 0.5680-0.0000 ( 2055 PWs) bands (ev): -3.0103 -3.0103 -2.9902 -2.9902 3.6356 3.6356 4.6356 4.6356 4.6520 4.6520 5.7686 5.7686 5.7948 5.7948 5.8698 5.8698 9.1791 9.1791 9.6606 9.6606 9.6789 9.6789 9.7674 9.7674 9.8346 9.8346 10.1151 10.1151 10.8404 10.8404 10.9812 10.9812 11.2002 11.2002 11.2515 11.2515 k = 0.3333 0.5774-0.0000 ( 2067 PWs) bands (ev): -3.0025 -3.0025 -2.9967 -2.9967 3.6368 3.6368 4.6334 4.6334 4.6494 4.6494 5.7793 5.7793 5.7853 5.7853 5.8691 5.8691 9.1808 9.1808 9.6632 9.6632 9.6764 9.6764 9.7668 9.7668 9.8336 9.8336 10.1138 10.1138 10.8640 10.8640 10.9566 10.9566 11.2002 11.2002 11.2506 11.2506 k = 0.3333 0.5774-0.0000 ( 2067 PWs) bands (ev): -3.0025 -3.0025 -2.9967 -2.9967 3.6368 3.6368 4.6334 4.6334 4.6494 4.6494 5.7793 5.7793 5.7853 5.7853 5.8691 5.8691 9.1808 9.1808 9.6632 9.6632 9.6764 9.6764 9.7668 9.7668 9.8336 9.8336 10.1138 10.1138 10.8640 10.8640 10.9566 10.9566 11.2002 11.2002 11.2506 11.2506 k = 0.3280 0.5680-0.0000 ( 2063 PWs) bands (ev): -3.0111 -3.0111 -2.9894 -2.9894 3.6359 3.6359 4.6336 4.6336 4.6537 4.6537 5.7664 5.7664 5.7969 5.7969 5.8698 5.8698 9.1791 9.1791 9.6611 9.6611 9.6783 9.6783 9.7672 9.7672 9.8345 9.8345 10.1151 10.1151 10.8406 10.8406 10.9809 10.9809 11.2004 11.2004 11.2512 11.2512 k = 0.3226 0.5587-0.0000 ( 2059 PWs) bands (ev): -3.0242 -3.0242 -2.9802 -2.9802 3.6338 3.6338 4.6324 4.6324 4.6681 4.6681 5.7475 5.7475 5.8120 5.8120 5.8721 5.8721 9.1736 9.1736 9.6570 9.6570 9.6813 9.6813 9.7681 9.7681 9.8371 9.8371 10.1192 10.1192 10.7977 10.7977 11.0268 11.0268 11.2014 11.2014 11.2527 11.2527 k = 0.3172 0.5494-0.0000 ( 2059 PWs) bands (ev): -3.0397 -3.0397 -2.9715 -2.9715 3.6315 3.6315 4.6306 4.6306 4.6908 4.6908 5.7248 5.7248 5.8281 5.8281 5.8759 5.8759 9.1647 9.1647 9.6524 9.6524 9.6839 9.6839 9.7696 9.7696 9.8415 9.8415 10.1260 10.1260 10.7519 10.7519 11.0772 11.0772 11.2033 11.2033 11.2550 11.2550 k = 0.3118 0.5401-0.0000 ( 2053 PWs) bands (ev): -3.0575 -3.0575 -2.9632 -2.9632 3.6300 3.6300 4.6293 4.6293 4.7199 4.7199 5.6984 5.6984 5.8452 5.8452 5.8815 5.8815 9.1527 9.1527 9.6480 9.6480 9.6857 9.6857 9.7717 9.7717 9.8476 9.8476 10.1354 10.1354 10.7065 10.7065 11.1285 11.1285 11.2060 11.2060 11.2586 11.2586 k = 0.3065 0.5308-0.0000 ( 2053 PWs) bands (ev): -3.0777 -3.0777 -2.9556 -2.9556 3.6302 3.6302 4.6287 4.6287 4.7543 4.7543 5.6682 5.6682 5.8631 5.8631 5.8889 5.8889 9.1378 9.1378 9.6436 9.6436 9.6866 9.6866 9.7746 9.7746 9.8552 9.8552 10.1470 10.1470 10.6623 10.6623 11.1784 11.1784 11.2089 11.2089 11.2647 11.2647 k = 0.3011 0.5215-0.0000 ( 2059 PWs) bands (ev): -3.1002 -3.1002 -2.9487 -2.9487 3.6329 3.6329 4.6291 4.6291 4.7930 4.7930 5.6343 5.6343 5.8817 5.8817 5.8984 5.8984 9.1204 9.1204 9.6395 9.6395 9.6866 9.6866 9.7784 9.7784 9.8642 9.8642 10.1605 10.1605 10.6198 10.6198 11.2108 11.2108 11.2230 11.2230 11.2780 11.2780 k = 0.2957 0.5122-0.0000 ( 2059 PWs) bands (ev): -3.1251 -3.1251 -2.9425 -2.9425 3.6387 3.6387 4.6308 4.6308 4.8353 4.8353 5.5967 5.5967 5.9001 5.9001 5.9109 5.9109 9.1008 9.1008 9.6356 9.6356 9.6859 9.6859 9.7832 9.7832 9.8745 9.8745 10.1755 10.1755 10.5793 10.5793 11.2133 11.2133 11.2502 11.2502 11.3088 11.3088 k = 0.2903 0.5029-0.0000 ( 2063 PWs) bands (ev): -3.1524 -3.1524 -2.9371 -2.9371 3.6483 3.6483 4.6337 4.6337 4.8805 4.8805 5.5556 5.5556 5.9163 5.9163 5.9285 5.9285 9.0793 9.0793 9.6319 9.6319 9.6847 9.6847 9.7891 9.7891 9.8858 9.8858 10.1914 10.1914 10.5410 10.5410 11.2146 11.2146 11.2648 11.2648 11.3534 11.3534 k = 0.2849 0.4935-0.0000 ( 2067 PWs) bands (ev): -3.1819 -3.1819 -2.9325 -2.9325 3.6620 3.6620 4.6380 4.6380 4.9281 4.9281 5.5109 5.5109 5.9317 5.9317 5.9498 5.9498 9.0563 9.0563 9.6286 9.6286 9.6831 9.6831 9.7960 9.7960 9.8978 9.8978 10.2073 10.2073 10.5053 10.5053 11.2152 11.2152 11.2765 11.2765 11.4015 11.4015 k = 0.2796 0.4842-0.0000 ( 2069 PWs) bands (ev): -3.2137 -3.2137 -2.9287 -2.9287 3.6802 3.6802 4.6439 4.6439 4.9775 4.9775 5.4630 5.4630 5.9481 5.9481 5.9731 5.9731 9.0319 9.0319 9.6255 9.6255 9.6814 9.6814 9.8038 9.8038 9.9103 9.9103 10.2224 10.2224 10.4730 10.4730 11.2153 11.2153 11.2883 11.2883 11.4494 11.4494 k = 0.2742 0.4749-0.0000 ( 2073 PWs) bands (ev): -3.2477 -3.2477 -2.9257 -2.9257 3.7030 3.7030 4.6515 4.6515 5.0284 5.0284 5.4119 5.4119 5.9661 5.9661 5.9978 5.9978 9.0064 9.0064 9.6228 9.6228 9.6797 9.6797 9.8125 9.8125 9.9230 9.9230 10.2351 10.2351 10.4452 10.4452 11.2152 11.2152 11.3006 11.3006 11.4961 11.4961 k = 0.2688 0.4656-0.0000 ( 2073 PWs) bands (ev): -3.2838 -3.2838 -2.9237 -2.9237 3.7307 3.7307 4.6608 4.6608 5.0802 5.0802 5.3580 5.3580 5.9858 5.9858 6.0239 6.0239 8.9801 8.9801 9.6205 9.6205 9.6783 9.6783 9.8220 9.8220 9.9357 9.9357 10.2431 10.2431 10.4240 10.4240 11.2153 11.2153 11.3135 11.3135 11.5410 11.5410 k = 0.2634 0.4563-0.0000 ( 2073 PWs) bands (ev): -3.3219 -3.3219 -2.9225 -2.9225 3.7634 3.7634 4.6720 4.6720 5.1326 5.1326 5.3015 5.3015 6.0073 6.0073 6.0511 6.0511 8.9530 8.9530 9.6186 9.6186 9.6770 9.6770 9.8321 9.8321 9.9482 9.9482 10.2437 10.2437 10.4120 10.4120 11.2158 11.2158 11.3268 11.3268 11.5835 11.5835 k = 0.2581 0.4470-0.0000 ( 2073 PWs) bands (ev): -3.3618 -3.3618 -2.9223 -2.9223 3.8010 3.8010 4.6850 4.6850 5.1839 5.1839 5.2441 5.2441 6.0306 6.0306 6.0797 6.0797 8.9255 8.9255 9.6170 9.6170 9.6761 9.6761 9.8427 9.8427 9.9603 9.9603 10.2353 10.2353 10.4102 10.4102 11.2170 11.2170 11.3405 11.3405 11.6232 11.6232 k = 0.2527 0.4377-0.0000 ( 2073 PWs) bands (ev): -3.4035 -3.4035 -2.9229 -2.9229 3.8437 3.8437 4.7000 4.7000 5.1772 5.1772 5.2427 5.2427 6.0558 6.0558 6.1095 6.1095 8.8976 8.8976 9.6159 9.6159 9.6754 9.6754 9.8538 9.8538 9.9716 9.9716 10.2194 10.2194 10.4173 10.4173 11.2191 11.2191 11.3542 11.3542 11.6598 11.6598 k = 0.2473 0.4284-0.0000 ( 2077 PWs) bands (ev): -3.4468 -3.4468 -2.9245 -2.9245 3.8913 3.8913 4.7169 4.7169 5.1153 5.1153 5.2943 5.2943 6.0828 6.0828 6.1405 6.1405 8.8694 8.8694 9.6151 9.6151 9.6748 9.6748 9.8653 9.8653 9.9820 9.9820 10.1987 10.1987 10.4302 10.4302 11.2226 11.2226 11.3680 11.3680 11.6928 11.6928 k = 0.2419 0.4190-0.0000 ( 2081 PWs) bands (ev): -3.4915 -3.4915 -2.9271 -2.9271 3.9439 3.9439 4.7359 4.7359 5.0503 5.0503 5.3469 5.3469 6.1117 6.1117 6.1729 6.1729 8.8411 8.8411 9.6146 9.6146 9.6744 9.6744 9.8769 9.8769 9.9913 9.9913 10.1758 10.1758 10.4465 10.4465 11.2275 11.2275 11.3816 11.3816 11.7219 11.7219 k = 0.2366 0.4097-0.0000 ( 2077 PWs) bands (ev): -3.5376 -3.5376 -2.9305 -2.9305 4.0013 4.0013 4.7568 4.7568 4.9838 4.9838 5.3992 5.3992 6.1425 6.1425 6.2065 6.2065 8.8130 8.8130 9.6145 9.6145 9.6742 9.6742 9.8887 9.8887 9.9995 9.9995 10.1520 10.1520 10.4646 10.4646 11.2342 11.2342 11.3950 11.3950 11.7467 11.7467 k = 0.2312 0.4004-0.0000 ( 2071 PWs) bands (ev): -3.5849 -3.5849 -2.9348 -2.9348 4.0635 4.0635 4.7796 4.7796 4.9161 4.9161 5.4507 5.4507 6.1752 6.1752 6.2414 6.2414 8.7851 8.7851 9.6145 9.6145 9.6739 9.6739 9.9005 9.9005 10.0062 10.0062 10.1285 10.1285 10.4837 10.4837 11.2428 11.2428 11.4081 11.4081 11.7669 11.7669 k = 0.2258 0.3911-0.0000 ( 2067 PWs) bands (ev): -3.6331 -3.6331 -2.9400 -2.9400 4.1303 4.1303 4.8030 4.8030 4.8487 4.8487 5.5014 5.5014 6.2097 6.2097 6.2777 6.2777 8.7574 8.7574 9.6145 9.6145 9.6735 9.6735 9.9119 9.9119 10.0117 10.0117 10.1057 10.1057 10.5030 10.5030 11.2537 11.2537 11.4207 11.4207 11.7821 11.7821 k = 0.2204 0.3818-0.0000 ( 2067 PWs) bands (ev): -3.6823 -3.6823 -2.9460 -2.9460 4.2017 4.2017 4.7744 4.7744 4.8345 4.8345 5.5510 5.5510 6.2462 6.2462 6.3152 6.3152 8.7300 8.7300 9.6143 9.6143 9.6730 9.6730 9.9228 9.9228 10.0154 10.0154 10.0841 10.0841 10.5223 10.5223 11.2670 11.2670 11.4330 11.4330 11.7921 11.7921 k = 0.2151 0.3725-0.0000 ( 2067 PWs) bands (ev): -3.7321 -3.7321 -2.9529 -2.9529 4.2774 4.2774 4.7052 4.7052 4.8624 4.8624 5.5993 5.5993 6.2845 6.2845 6.3541 6.3541 8.7032 8.7032 9.6136 9.6136 9.6725 9.6725 9.9328 9.9328 10.0172 10.0172 10.0645 10.0645 10.5414 10.5414 11.2829 11.2829 11.4447 11.4447 11.7966 11.7966 k = 0.2097 0.3632-0.0000 ( 2057 PWs) bands (ev): -3.7825 -3.7825 -2.9605 -2.9605 4.3572 4.3572 4.6347 4.6347 4.8930 4.8930 5.6461 5.6461 6.3248 6.3248 6.3943 6.3943 8.6769 8.6769 9.6120 9.6120 9.6723 9.6723 9.9416 9.9416 10.0166 10.0166 10.0480 10.0480 10.5601 10.5601 11.3016 11.3016 11.4561 11.4561 11.7956 11.7956 k = 0.2043 0.3539-0.0000 ( 2061 PWs) bands (ev): -3.8333 -3.8333 -2.9688 -2.9688 4.4411 4.4411 4.5639 4.5639 4.9256 4.9256 5.6914 5.6914 6.3670 6.3670 6.4358 6.4358 8.6511 8.6511 9.6089 9.6089 9.6723 9.6723 9.9486 9.9486 10.0116 10.0116 10.0369 10.0369 10.5782 10.5782 11.3231 11.3231 11.4671 11.4671 11.7887 11.7887 k = 0.1989 0.3445-0.0000 ( 2063 PWs) bands (ev): -3.8843 -3.8843 -2.9779 -2.9779 4.4923 4.4923 4.5297 4.5297 4.9599 4.9599 5.7350 5.7350 6.4111 6.4111 6.4787 6.4787 8.6261 8.6261 9.6041 9.6041 9.6730 9.6730 9.9530 9.9530 10.0021 10.0021 10.0319 10.0319 10.5957 10.5957 11.3475 11.3475 11.4777 11.4777 11.7761 11.7761 k = 0.1935 0.3352-0.0000 ( 2063 PWs) bands (ev): -3.9355 -3.9355 -2.9876 -2.9876 4.4222 4.4222 4.6208 4.6208 4.9959 4.9959 5.7767 5.7767 6.4572 6.4572 6.5230 6.5230 8.6018 8.6018 9.5971 9.5971 9.6745 9.6745 9.9543 9.9543 9.9914 9.9914 10.0306 10.0306 10.6127 10.6127 11.3748 11.3748 11.4883 11.4883 11.7578 11.7578 k = 0.1882 0.3259-0.0000 ( 2063 PWs) bands (ev): -3.9866 -3.9866 -2.9979 -2.9979 4.3520 4.3520 4.7159 4.7159 5.0334 5.0334 5.8166 5.8166 6.5051 6.5051 6.5686 6.5686 8.5784 8.5784 9.5879 9.5879 9.6769 9.6769 9.9519 9.9519 9.9818 9.9818 10.0308 10.0308 10.6289 10.6289 11.4050 11.4050 11.4988 11.4988 11.7337 11.7337 k = 0.1828 0.3166-0.0000 ( 2067 PWs) bands (ev): -4.0376 -4.0376 -3.0088 -3.0088 4.2823 4.2823 4.8143 4.8143 5.0723 5.0723 5.8545 5.8545 6.5550 6.5550 6.6156 6.6156 8.5557 8.5557 9.5765 9.5765 9.6802 9.6802 9.9461 9.9461 9.9736 9.9736 10.0318 10.0318 10.6444 10.6444 11.4381 11.4381 11.5094 11.5094 11.7039 11.7039 k = 0.1774 0.3073-0.0000 ( 2067 PWs) bands (ev): -4.0883 -4.0883 -3.0201 -3.0201 4.2134 4.2134 4.9159 4.9159 5.1124 5.1124 5.8904 5.8904 6.6068 6.6068 6.6640 6.6640 8.5340 8.5340 9.5631 9.5631 9.6842 9.6842 9.9375 9.9375 9.9669 9.9669 10.0330 10.0330 10.6592 10.6592 11.4740 11.4740 11.5204 11.5204 11.6688 11.6688 k = 0.1720 0.2980-0.0000 ( 2071 PWs) bands (ev): -4.1386 -4.1386 -3.0319 -3.0319 4.1453 4.1453 5.0204 5.0204 5.1537 5.1537 5.9243 5.9243 6.6604 6.6604 6.7138 6.7138 8.5132 8.5132 9.5479 9.5479 9.6890 9.6890 9.9266 9.9266 9.9612 9.9612 10.0335 10.0335 10.6731 10.6731 11.5125 11.5125 11.5320 11.5320 11.6285 11.6285 k = 0.1667 0.2887-0.0000 ( 2071 PWs) bands (ev): -4.1884 -4.1884 -3.0441 -3.0441 4.0783 4.0783 5.1276 5.1276 5.1960 5.1960 5.9562 5.9562 6.7160 6.7160 6.7650 6.7650 8.4933 8.4933 9.5313 9.5313 9.6941 9.6941 9.9138 9.9138 9.9569 9.9569 10.0329 10.0329 10.6865 10.6865 11.5442 11.5442 11.5536 11.5536 11.5834 11.5834 k = 0.1613 0.2794-0.0000 ( 2067 PWs) bands (ev): -4.2376 -4.2376 -3.0566 -3.0566 4.0123 4.0123 5.2356 5.2356 5.2408 5.2408 5.9862 5.9862 6.7733 6.7733 6.8176 6.8176 8.4746 8.4746 9.5135 9.5135 9.6997 9.6997 9.8993 9.8993 9.9537 9.9537 10.0309 10.0309 10.6991 10.6991 11.5321 11.5321 11.5591 11.5591 11.5970 11.5970 k = 0.1559 0.2701-0.0000 ( 2065 PWs) bands (ev): -4.2860 -4.2860 -3.0694 -3.0694 3.9476 3.9476 5.2828 5.2828 5.3493 5.3493 6.0144 6.0144 6.8323 6.8323 6.8717 6.8717 8.4567 8.4567 9.4948 9.4948 9.7055 9.7055 9.8831 9.8831 9.9515 9.9515 10.0269 10.0269 10.7111 10.7111 11.4781 11.4781 11.5736 11.5736 11.6425 11.6425 k = 0.1505 0.2607-0.0000 ( 2067 PWs) bands (ev): -4.3335 -4.3335 -3.0823 -3.0823 3.8843 3.8843 5.3272 5.3272 5.4627 5.4627 6.0411 6.0411 6.8929 6.8929 6.9273 6.9273 8.4398 8.4398 9.4754 9.4754 9.7114 9.7114 9.8656 9.8656 9.9502 9.9502 10.0207 10.0207 10.7224 10.7224 11.4197 11.4197 11.5902 11.5902 11.6899 11.6899 k = 0.1452 0.2514-0.0000 ( 2071 PWs) bands (ev): -4.3802 -4.3802 -3.0954 -3.0954 3.8224 3.8224 5.3719 5.3719 5.5772 5.5772 6.0668 6.0668 6.9549 6.9549 6.9845 6.9845 8.4238 8.4238 9.4555 9.4555 9.7173 9.7173 9.8471 9.8471 9.9494 9.9494 10.0121 10.0121 10.7330 10.7330 11.3574 11.3574 11.6086 11.6086 11.7389 11.7389 k = 0.1398 0.2421-0.0000 ( 2071 PWs) bands (ev): -4.4258 -4.4258 -3.1086 -3.1086 3.7621 3.7621 5.4168 5.4168 5.6918 5.6918 6.0922 6.0922 7.0181 7.0181 7.0438 7.0438 8.4089 8.4089 9.4353 9.4353 9.7230 9.7230 9.8277 9.8277 9.9490 9.9490 10.0012 10.0012 10.7430 10.7430 11.2918 11.2918 11.6292 11.6292 11.7894 11.7894 k = 0.1344 0.2328-0.0000 ( 2071 PWs) bands (ev): -4.4703 -4.4703 -3.1219 -3.1219 3.7035 3.7035 5.4617 5.4617 5.8046 5.8046 6.1192 6.1192 7.0819 7.0819 7.1052 7.1052 8.3949 8.3949 9.4151 9.4151 9.7282 9.7282 9.8081 9.8081 9.9484 9.9484 9.9882 9.9882 10.7524 10.7524 11.2231 11.2231 11.6521 11.6521 11.8410 11.8410 k = 0.1290 0.2235-0.0000 ( 2067 PWs) bands (ev): -4.5137 -4.5137 -3.1351 -3.1351 3.6466 3.6466 5.5066 5.5066 5.9109 5.9109 6.1521 6.1521 7.1460 7.1460 7.1693 7.1693 8.3820 8.3820 9.3950 9.3950 9.7318 9.7318 9.7890 9.7890 9.9461 9.9461 9.9746 9.9746 10.7613 10.7613 11.1517 11.1517 11.6775 11.6775 11.8935 11.8935 k = 0.1237 0.2142-0.0000 ( 2063 PWs) bands (ev): -4.5557 -4.5557 -3.1482 -3.1482 3.5915 3.5915 5.5512 5.5512 6.0008 6.0008 6.2010 6.2010 7.2102 7.2102 7.2361 7.2361 8.3701 8.3701 9.3750 9.3750 9.7313 9.7313 9.7731 9.7731 9.9374 9.9374 9.9648 9.9648 10.7696 10.7696 11.0780 11.0780 11.7055 11.7055 11.9466 11.9466 k = 0.1183 0.2049-0.0000 ( 2059 PWs) bands (ev): -4.5965 -4.5965 -3.1612 -3.1612 3.5382 3.5382 5.5954 5.5954 6.0619 6.0619 6.2778 6.2778 7.2746 7.2746 7.3051 7.3051 8.3593 8.3593 9.3553 9.3553 9.7216 9.7216 9.7654 9.7654 9.9195 9.9195 9.9616 9.9616 10.7773 10.7773 11.0022 11.0022 11.7362 11.7362 11.9999 11.9999 k = 0.1129 0.1956-0.0000 ( 2055 PWs) bands (ev): -4.6358 -4.6358 -3.1740 -3.1740 3.4870 3.4870 5.6390 5.6390 6.0974 6.0974 6.3793 6.3793 7.3397 7.3397 7.3760 7.3760 8.3494 8.3494 9.3359 9.3359 9.7034 9.7034 9.7652 9.7652 9.8959 9.8959 9.9615 9.9615 10.7845 10.7845 10.9247 10.9247 11.7696 11.7696 12.0532 12.0532 k = 0.1075 0.1862-0.0000 ( 2053 PWs) bands (ev): -4.6737 -4.6737 -3.1865 -3.1865 3.4377 3.4377 5.6819 5.6819 6.1192 6.1192 6.4933 6.4933 7.4056 7.4056 7.4484 7.4484 8.3406 8.3406 9.3169 9.3169 9.6813 9.6813 9.7676 9.7676 9.8687 9.8687 9.9624 9.9624 10.7912 10.7912 10.8460 10.8460 11.8057 11.8057 12.1062 12.1062 k = 0.1022 0.1769-0.0000 ( 2057 PWs) bands (ev): -4.7100 -4.7100 -3.1988 -3.1988 3.3905 3.3905 5.7239 5.7239 6.1343 6.1343 6.6127 6.6127 7.4725 7.4725 7.5218 7.5218 8.3330 8.3330 9.2984 9.2984 9.6574 9.6574 9.7705 9.7705 9.8386 9.8386 9.9636 9.9636 10.7662 10.7662 10.7976 10.7976 11.8445 11.8445 12.1585 12.1585 k = 0.0968 0.1676-0.0000 ( 2055 PWs) bands (ev): -4.7448 -4.7448 -3.2107 -3.2107 3.3454 3.3454 5.7650 5.7650 6.1455 6.1455 6.7342 6.7342 7.5404 7.5404 7.5961 7.5961 8.3266 8.3266 9.2806 9.2806 9.6323 9.6323 9.7725 9.7725 9.8063 9.8063 9.9651 9.9651 10.6861 10.6861 10.8032 10.8032 11.8861 11.8861 12.2097 12.2097 k = 0.0914 0.1583-0.0000 ( 2051 PWs) bands (ev): -4.7780 -4.7780 -3.2223 -3.2223 3.3025 3.3025 5.8049 5.8049 6.1541 6.1541 6.8564 6.8564 7.6093 7.6093 7.6712 7.6712 8.3215 8.3215 9.2634 9.2634 9.6063 9.6063 9.7660 9.7660 9.7791 9.7791 9.9666 9.9666 10.6059 10.6059 10.8085 10.8085 11.9303 11.9303 12.2597 12.2597 k = 0.0860 0.1490-0.0000 ( 2055 PWs) bands (ev): -4.8095 -4.8095 -3.2334 -3.2334 3.2619 3.2619 5.8434 5.8434 6.1609 6.1609 6.9780 6.9780 7.6793 7.6793 7.7468 7.7468 8.3179 8.3179 9.2470 9.2470 9.5794 9.5794 9.7315 9.7315 9.7760 9.7760 9.9680 9.9680 10.5263 10.5263 10.8135 10.8135 11.9769 11.9769 12.3081 12.3081 k = 0.0806 0.1397-0.0000 ( 2055 PWs) bands (ev): -4.8393 -4.8393 -3.2440 -3.2440 3.2235 3.2235 5.8805 5.8805 6.1662 6.1662 7.0983 7.0983 7.7502 7.7502 7.8227 7.8227 8.3161 8.3161 9.2313 9.2313 9.5515 9.5515 9.6923 9.6923 9.7735 9.7735 9.9694 9.9694 10.4480 10.4480 10.8180 10.8180 12.0260 12.0260 12.3546 12.3546 k = 0.0753 0.1304-0.0000 ( 2051 PWs) bands (ev): -4.8674 -4.8674 -3.2542 -3.2542 3.1874 3.1874 5.9160 5.9160 6.1704 6.1704 7.2163 7.2163 7.8222 7.8222 7.8987 7.8987 8.3165 8.3165 9.2164 9.2164 9.5227 9.5227 9.6510 9.6510 9.7682 9.7682 9.9706 9.9706 10.3721 10.3721 10.8222 10.8222 12.0772 12.0772 12.3989 12.3989 k = 0.0699 0.1211-0.0000 ( 2055 PWs) bands (ev): -4.8937 -4.8937 -3.2638 -3.2638 3.1536 3.1536 5.9497 5.9497 6.1737 6.1737 7.3310 7.3310 7.8950 7.8950 7.9746 7.9746 8.3194 8.3194 9.2023 9.2023 9.4926 9.4926 9.6077 9.6077 9.7587 9.7587 9.9716 9.9716 10.2998 10.2998 10.8260 10.8260 12.1304 12.1304 12.4407 12.4407 k = 0.0645 0.1117-0.0000 ( 2047 PWs) bands (ev): -4.9181 -4.9181 -3.2728 -3.2728 3.1223 3.1223 5.9816 5.9816 6.1762 6.1762 7.4413 7.4413 7.9686 7.9686 8.0503 8.0503 8.3258 8.3258 9.1890 9.1890 9.4614 9.4614 9.5629 9.5629 9.7436 9.7436 9.9724 9.9724 10.2330 10.2330 10.8297 10.8297 12.1852 12.1852 12.4799 12.4799 k = 0.0591 0.1024-0.0000 ( 2035 PWs) bands (ev): -4.9407 -4.9407 -3.2812 -3.2812 3.0933 3.0933 6.0116 6.0116 6.1781 6.1781 7.5459 7.5459 8.0430 8.0430 8.1254 8.1254 8.3364 8.3364 9.1768 9.1768 9.4287 9.4287 9.5166 9.5166 9.7208 9.7208 9.9730 9.9730 10.1738 10.1738 10.8329 10.8329 12.2413 12.2413 12.5162 12.5162 k = 0.0538 0.0931-0.0000 ( 2035 PWs) bands (ev): -4.9615 -4.9615 -3.2890 -3.2890 3.0668 3.0668 6.0393 6.0393 6.1796 6.1796 7.6429 7.6429 8.1178 8.1178 8.1998 8.1998 8.3528 8.3528 9.1653 9.1653 9.3943 9.3943 9.4688 9.4688 9.6885 9.6885 9.9732 9.9732 10.1241 10.1241 10.8358 10.8358 12.2982 12.2982 12.5494 12.5494 k = 0.0484 0.0838-0.0000 ( 2035 PWs) bands (ev): -4.9803 -4.9803 -3.2961 -3.2961 3.0427 3.0427 6.0648 6.0648 6.1806 6.1806 7.7305 7.7305 8.1928 8.1928 8.2731 8.2731 8.3767 8.3767 9.1546 9.1546 9.3579 9.3579 9.4198 9.4198 9.6457 9.6457 9.9730 9.9730 10.0851 10.0851 10.8383 10.8383 12.3554 12.3554 12.5794 12.5794 k = 0.0430 0.0745-0.0000 ( 2031 PWs) bands (ev): -4.9972 -4.9972 -3.3026 -3.3026 3.0211 3.0211 6.0879 6.0879 6.1814 6.1814 7.8066 7.8066 8.2678 8.2678 8.3448 8.3448 8.4101 8.4101 9.1447 9.1447 9.3195 9.3195 9.3697 9.3697 9.5931 9.5931 9.9723 9.9723 10.0566 10.0566 10.8406 10.8406 12.4120 12.4120 12.6062 12.6062 k = 0.0376 0.0652-0.0000 ( 2037 PWs) bands (ev): -5.0122 -5.0122 -3.3083 -3.3083 3.0020 3.0020 6.1083 6.1083 6.1820 6.1820 7.8697 7.8697 8.3420 8.3420 8.4139 8.4139 8.4552 8.4552 9.1353 9.1353 9.2789 9.2789 9.3187 9.3187 9.5325 9.5325 9.9711 9.9711 10.0369 10.0369 10.8425 10.8425 12.4671 12.4671 12.6295 12.6295 k = 0.0323 0.0559-0.0000 ( 2041 PWs) bands (ev): -5.0252 -5.0252 -3.3133 -3.3133 2.9853 2.9853 6.1261 6.1261 6.1827 6.1827 7.9194 7.9194 8.4150 8.4150 8.4804 8.4804 8.5121 8.5121 9.1260 9.1260 9.2364 9.2364 9.2667 9.2667 9.4663 9.4663 9.9694 9.9694 10.0240 10.0240 10.8442 10.8442 12.5197 12.5197 12.6496 12.6496 k = 0.0269 0.0466-0.0000 ( 2039 PWs) bands (ev): -5.0362 -5.0362 -3.3176 -3.3176 2.9713 2.9713 6.1409 6.1409 6.1835 6.1835 7.9568 7.9568 8.4859 8.4859 8.5470 8.5470 8.5764 8.5764 9.1154 9.1154 9.1933 9.1933 9.2140 9.2140 9.3971 9.3971 9.9678 9.9678 10.0159 10.0159 10.8456 10.8456 12.5683 12.5683 12.6665 12.6665 k = 0.0215 0.0372-0.0000 ( 2041 PWs) bands (ev): -5.0452 -5.0452 -3.3211 -3.3211 2.9597 2.9597 6.1526 6.1526 6.1847 6.1847 7.9837 7.9837 8.5539 8.5539 8.6155 8.6155 8.6432 8.6432 9.0988 9.0988 9.1539 9.1539 9.1610 9.1610 9.3275 9.3275 9.9662 9.9662 10.0108 10.0108 10.8468 10.8468 12.6112 12.6112 12.6805 12.6805 k = 0.0161 0.0279-0.0000 ( 2037 PWs) bands (ev): -5.0523 -5.0523 -3.3238 -3.3238 2.9508 2.9508 6.1609 6.1609 6.1865 6.1865 8.0022 8.0022 8.6175 8.6175 8.6850 8.6850 8.7098 8.7098 9.0663 9.0663 9.1053 9.1053 9.1301 9.1301 9.2613 9.2613 9.9650 9.9650 10.0078 10.0078 10.8477 10.8477 12.6465 12.6465 12.6920 12.6920 k = 0.0108 0.0186-0.0000 ( 2035 PWs) bands (ev): -5.0573 -5.0573 -3.3258 -3.3258 2.9443 2.9443 6.1660 6.1660 6.1887 6.1887 8.0142 8.0142 8.6732 8.6732 8.7525 8.7525 8.7744 8.7744 9.0217 9.0217 9.0503 9.0503 9.1150 9.1150 9.2048 9.2048 9.9642 9.9642 10.0060 10.0060 10.8483 10.8483 12.6717 12.6717 12.7018 12.7018 k = 0.0054 0.0093-0.0000 ( 2033 PWs) bands (ev): -5.0603 -5.0603 -3.3270 -3.3270 2.9405 2.9405 6.1685 6.1685 6.1905 6.1905 8.0209 8.0209 8.7141 8.7141 8.8120 8.8120 8.8327 8.8327 8.9767 8.9767 8.9981 8.9981 9.0999 9.0999 9.1690 9.1690 9.9637 9.9637 10.0051 10.0051 10.8487 10.8487 12.6852 12.6852 12.7098 12.7098 k = 0.0000 0.0000 0.0000 ( 2033 PWs) bands (ev): -5.0613 -5.0613 -3.3274 -3.3274 2.9392 2.9392 6.1692 6.1692 6.1912 6.1912 8.0230 8.0230 8.7299 8.7299 8.8422 8.8422 8.8640 8.8640 8.9517 8.9517 8.9689 8.9689 9.0911 9.0911 9.1582 9.1582 9.9635 9.9635 10.0048 10.0048 10.8488 10.8488 12.6892 12.6892 12.7132 12.7132 k = 0.0000 0.0000 0.0000 ( 2033 PWs) bands (ev): -5.0613 -5.0613 -3.3274 -3.3274 2.9392 2.9392 6.1692 6.1692 6.1912 6.1912 8.0230 8.0230 8.7299 8.7299 8.8422 8.8422 8.8640 8.8640 8.9517 8.9517 8.9689 8.9689 9.0911 9.0911 9.1582 9.1582 9.9635 9.9635 10.0048 10.0048 10.8488 10.8488 12.6892 12.6892 12.7132 12.7132 k = 0.0000 0.0000 0.0108 ( 2033 PWs) bands (ev): -5.0603 -5.0603 -3.3294 -3.3294 2.9430 2.9430 6.1702 6.1702 6.1921 6.1921 8.0184 8.0184 8.7203 8.7203 8.8327 8.8327 8.8327 8.8327 8.9590 8.9590 8.9695 8.9695 9.1152 9.1152 9.1771 9.1771 9.9635 9.9635 10.0051 10.0051 10.8461 10.8461 12.6876 12.6876 12.7116 12.7116 k = 0.0000 0.0000 0.0216 ( 2033 PWs) bands (ev): -5.0573 -5.0573 -3.3354 -3.3354 2.9545 2.9545 6.1732 6.1732 6.1951 6.1951 8.0044 8.0044 8.6887 8.6887 8.7685 8.7685 8.8158 8.8158 8.9671 8.9671 8.9713 8.9713 9.1717 9.1717 9.2250 9.2250 9.9634 9.9634 10.0062 10.0062 10.8380 10.8380 12.6830 12.6830 12.7068 12.7068 k = 0.0000 0.0000 0.0324 ( 2027 PWs) bands (ev): -5.0523 -5.0523 -3.3455 -3.3455 2.9734 2.9734 6.1781 6.1781 6.2001 6.2001 7.9810 7.9810 8.6361 8.6361 8.6942 8.6942 8.8044 8.8044 8.9728 8.9728 8.9744 8.9744 9.2404 9.2404 9.2880 9.2880 9.9639 9.9639 10.0085 10.0085 10.8245 10.8245 12.6753 12.6753 12.6989 12.6989 k = 0.0000 0.0000 0.0431 ( 2027 PWs) bands (ev): -5.0453 -5.0453 -3.3594 -3.3594 2.9998 2.9998 6.1850 6.1850 6.2070 6.2070 7.9479 7.9479 8.5705 8.5705 8.6162 8.6162 8.7993 8.7993 8.9783 8.9783 8.9786 8.9786 9.3122 9.3122 9.3575 9.3575 9.9651 9.9651 10.0125 10.0125 10.8057 10.8057 12.6645 12.6645 12.6878 12.6878 k = 0.0000 0.0000 0.0539 ( 2027 PWs) bands (ev): -5.0364 -5.0364 -3.3770 -3.3770 3.0336 3.0336 6.1939 6.1939 6.2158 6.2158 7.9049 7.9049 8.4984 8.4984 8.5368 8.5368 8.7982 8.7982 8.9841 8.9841 8.9844 8.9844 9.3830 9.3830 9.4287 9.4287 9.9682 9.9682 10.0190 10.0190 10.7822 10.7822 12.6507 12.6507 12.6736 12.6736 k = 0.0000 0.0000 0.0647 ( 2021 PWs) bands (ev): -5.0254 -5.0254 -3.3983 -3.3983 3.0745 3.0745 6.2048 6.2048 6.2267 6.2267 7.8520 7.8520 8.4231 8.4231 8.4570 8.4570 8.8006 8.8006 8.9908 8.9908 8.9914 8.9914 9.4503 9.4503 9.4981 9.4981 9.9746 9.9746 10.0296 10.0296 10.7544 10.7544 12.6338 12.6338 12.6562 12.6562 k = 0.0000 0.0000 0.0755 ( 2021 PWs) bands (ev): -5.0125 -5.0125 -3.4230 -3.4230 3.1224 3.1224 6.2176 6.2176 6.2395 6.2395 7.7893 7.7893 8.3464 8.3464 8.3772 8.3772 8.8062 8.8062 8.9986 8.9986 8.9994 8.9994 9.5113 9.5113 9.5620 9.5620 9.9870 9.9870 10.0462 10.0462 10.7218 10.7218 12.6139 12.6139 12.6356 12.6356 k = 0.0000 0.0000 0.0863 ( 2021 PWs) bands (ev): -4.9976 -4.9976 -3.4509 -3.4509 3.1770 3.1770 6.2323 6.2323 6.2543 6.2543 7.7174 7.7174 8.2692 8.2692 8.2978 8.2978 8.8151 8.8151 9.0076 9.0076 9.0085 9.0085 9.5636 9.5636 9.6167 9.6167 10.0086 10.0086 10.0710 10.0710 10.6852 10.6852 12.5910 12.5910 12.6120 12.6120 k = 0.0000 0.0000 0.0971 ( 2021 PWs) bands (ev): -4.9808 -4.9808 -3.4819 -3.4819 3.2382 3.2382 6.2490 6.2490 6.2710 6.2710 7.6366 7.6366 8.1920 8.1920 8.2190 8.2190 8.8273 8.8273 9.0178 9.0178 9.0187 9.0187 9.6051 9.6051 9.6585 9.6585 10.0428 10.0428 10.1059 10.1059 10.6448 10.6448 12.5650 12.5650 12.5852 12.5852 k = 0.0000 0.0000 0.1078 ( 2021 PWs) bands (ev): -4.9621 -4.9621 -3.5156 -3.5156 3.3055 3.3055 6.2677 6.2677 6.2897 6.2897 7.5476 7.5476 8.1152 8.1152 8.1410 8.1410 8.8428 8.8428 9.0290 9.0290 9.0300 9.0300 9.6348 9.6348 9.6857 9.6857 10.0910 10.0910 10.1517 10.1517 10.6011 10.6011 12.5360 12.5360 12.5554 12.5554 k = 0.0000 0.0000 0.1186 ( 2021 PWs) bands (ev): -4.9415 -4.9415 -3.5519 -3.5519 3.3789 3.3789 6.2883 6.2883 6.3103 6.3103 7.4512 7.4512 8.0389 8.0389 8.0639 8.0639 8.8615 8.8615 9.0414 9.0414 9.0424 9.0424 9.6532 9.6532 9.6995 9.6995 10.1516 10.1516 10.2077 10.2077 10.5543 10.5543 12.5041 12.5041 12.5225 12.5225 k = 0.0000 0.0000 0.1294 ( 2021 PWs) bands (ev): -4.9191 -4.9191 -3.5905 -3.5905 3.4580 3.4580 6.3108 6.3108 6.3328 6.3328 7.3481 7.3481 7.9634 7.9634 7.9877 7.9877 8.8835 8.8835 9.0548 9.0548 9.0557 9.0557 9.6620 9.6620 9.7031 9.7031 10.2217 10.2217 10.2723 10.2723 10.5048 10.5048 12.4692 12.4692 12.4866 12.4866 k = 0.0000 0.0000 0.1402 ( 2021 PWs) bands (ev): -4.8948 -4.8948 -3.6312 -3.6312 3.5426 3.5426 6.3352 6.3352 6.3573 6.3573 7.2390 7.2390 7.8887 7.8887 7.9126 7.9126 8.9084 8.9084 9.0693 9.0693 9.0702 9.0702 9.6632 9.6632 9.6993 9.6993 10.2981 10.2981 10.3434 10.3434 10.4529 10.4529 12.4315 12.4315 12.4477 12.4477 k = 0.0000 0.0000 0.1510 ( 2021 PWs) bands (ev): -4.8687 -4.8687 -3.6737 -3.6737 3.6322 3.6322 6.3616 6.3616 6.3837 6.3837 7.1247 7.1247 7.8151 7.8151 7.8386 7.8386 8.9363 8.9363 9.0848 9.0848 9.0856 9.0856 9.6586 9.6586 9.6903 9.6903 10.3786 10.3786 10.3990 10.3990 10.4191 10.4191 12.3908 12.3908 12.4059 12.4059 k = 0.0000 0.0000 0.1618 ( 2021 PWs) bands (ev): -4.8409 -4.8409 -3.7177 -3.7177 3.7268 3.7268 6.3899 6.3899 6.4120 6.4120 7.0057 7.0057 7.7426 7.7426 7.7658 7.7658 8.9669 8.9669 9.1012 9.1012 9.1019 9.1019 9.6495 9.6495 9.6776 9.6776 10.3434 10.3434 10.4618 10.4618 10.4980 10.4980 12.3473 12.3473 12.3612 12.3612 k = 0.0000 0.0000 0.1725 ( 2021 PWs) bands (ev): -4.8113 -4.8113 -3.7631 -3.7631 3.8260 3.8260 6.4201 6.4201 6.4422 6.4422 6.8828 6.8828 7.6713 7.6713 7.6943 7.6943 9.0001 9.0001 9.1186 9.1186 9.1192 9.1192 9.6370 9.6370 9.6622 9.6622 10.2862 10.2862 10.5466 10.5466 10.5791 10.5791 12.3010 12.3010 12.3136 12.3136 k = 0.0000 0.0000 0.1833 ( 2027 PWs) bands (ev): -4.7800 -4.7800 -3.8096 -3.8096 3.9294 3.9294 6.4521 6.4521 6.4742 6.4742 6.7566 6.7566 7.6011 7.6011 7.6240 7.6240 9.0358 9.0358 9.1367 9.1367 9.1373 9.1373 9.6218 9.6218 9.6446 9.6446 10.2279 10.2279 10.6323 10.6323 10.6615 10.6615 12.2520 12.2520 12.2632 12.2632 k = 0.0000 0.0000 0.1941 ( 2015 PWs) bands (ev): -4.7471 -4.7471 -3.8571 -3.8571 4.0369 4.0369 6.4861 6.4861 6.5082 6.5082 6.6275 6.6275 7.5324 7.5324 7.5551 7.5551 9.0739 9.0739 9.1560 9.1560 9.1565 9.1565 9.6046 9.6046 9.6255 9.6255 10.1689 10.1689 10.7184 10.7184 10.7448 10.7448 12.2003 12.2003 12.2102 12.2102 k = 0.0000 0.0000 0.2049 ( 2015 PWs) bands (ev): -4.7126 -4.7126 -3.9052 -3.9052 4.1482 4.1482 6.4962 6.4962 6.5219 6.5219 6.5441 6.5441 7.4649 7.4649 7.4876 7.4876 9.1141 9.1141 9.1758 9.1758 9.1762 9.1762 9.5857 9.5857 9.6052 9.6052 10.1090 10.1090 10.8046 10.8046 10.8284 10.8284 12.1460 12.1460 12.1544 12.1544 k = 0.0000 0.0000 0.2157 ( 2027 PWs) bands (ev): -4.6765 -4.6765 -3.9538 -3.9538 4.2630 4.2630 6.3629 6.3629 6.5595 6.5595 6.5816 6.5816 7.3988 7.3988 7.4214 7.4214 9.1563 9.1563 9.1963 9.1963 9.1967 9.1967 9.5653 9.5653 9.5839 9.5839 10.0488 10.0488 10.8905 10.8905 10.9119 10.9119 12.0891 12.0891 12.0960 12.0960 k = 0.0000 0.0000 0.2265 ( 2027 PWs) bands (ev): -4.6390 -4.6390 -4.0028 -4.0028 4.3810 4.3810 6.2283 6.2283 6.5990 6.5990 6.6211 6.6211 7.3342 7.3342 7.3568 7.3568 9.2003 9.2003 9.2175 9.2175 9.2179 9.2179 9.5439 9.5439 9.5622 9.5622 9.9883 9.9883 10.9760 10.9760 10.9952 10.9952 12.0298 12.0298 12.0352 12.0352 k = 0.0000 0.0000 0.2372 ( 2033 PWs) bands (ev): -4.6000 -4.6000 -4.0519 -4.0519 4.5020 4.5020 6.0926 6.0926 6.6402 6.6402 6.6624 6.6624 7.2711 7.2711 7.2936 7.2936 9.2393 9.2393 9.2396 9.2396 9.2456 9.2456 9.5218 9.5218 9.5402 9.5402 9.9279 9.9279 11.0609 11.0609 11.0779 11.0779 11.9680 11.9680 11.9719 11.9719 k = 0.0000 0.0000 0.2480 ( 2033 PWs) bands (ev): -4.5597 -4.5597 -4.1009 -4.1009 4.6258 4.6258 5.9563 5.9563 6.6833 6.6833 6.7055 6.7055 7.2095 7.2095 7.2320 7.2320 9.2615 9.2616 9.2620 9.2620 9.2918 9.2918 9.4989 9.4989 9.5188 9.5188 9.8677 9.8677 11.1448 11.1448 11.1599 11.1599 11.9040 11.9040 11.9063 11.9063 k = 0.0000 0.0000 0.2588 ( 2028 PWs) bands (ev): -4.5181 -4.5181 -4.1498 -4.1498 4.7521 4.7521 5.8198 5.8198 6.7282 6.7282 6.7504 6.7504 7.1494 7.1494 7.1718 7.1718 9.2842 9.2842 9.2848 9.2848 9.3377 9.3377 9.4755 9.4755 9.4993 9.4993 9.8084 9.8084 11.2278 11.2278 11.2410 11.2410 11.8377 11.8377 11.8384 11.8384 k = 0.0000 0.0000 0.2696 ( 2040 PWs) bands (ev): -4.4753 -4.4753 -4.1983 -4.1983 4.8805 4.8805 5.6832 5.6832 6.7748 6.7748 6.7970 6.7970 7.0908 7.0908 7.1132 7.1132 9.3070 9.3070 9.3079 9.3079 9.3777 9.3777 9.4516 9.4516 9.4866 9.4866 9.7494 9.7494 11.3096 11.3096 11.3209 11.3209 11.7684 11.7684 11.7693 11.7693 k = 0.0000 0.0000 0.2804 ( 2046 PWs) bands (ev): -4.4314 -4.4314 -4.2463 -4.2463 5.0109 5.0109 5.5469 5.5469 6.8232 6.8232 6.8455 6.8455 7.0339 7.0339 7.0563 7.0563 9.3298 9.3298 9.3314 9.3314 9.3980 9.3980 9.4276 9.4276 9.4952 9.4952 9.6914 9.6914 11.3901 11.3901 11.3995 11.3995 11.6963 11.6963 11.6989 11.6989 k = 0.0000 0.0000 0.2912 ( 2046 PWs) bands (ev): -4.3864 -4.3864 -4.2938 -4.2938 5.1430 5.1430 5.4113 5.4113 6.8733 6.8733 6.8956 6.8956 6.9787 6.9787 7.0011 7.0011 9.3523 9.3523 9.3553 9.3553 9.3916 9.3916 9.4035 9.4035 9.5317 9.5317 9.6350 9.6350 11.4691 11.4691 11.4768 11.4768 11.6223 11.6223 11.6266 11.6266 k = 0.0000 0.0000 0.3019 ( 2052 PWs) bands (ev): -4.3405 -4.3405 -4.3405 -4.3405 5.2765 5.2765 5.2765 5.2765 6.9252 6.9252 6.9252 6.9252 6.9475 6.9475 6.9475 6.9475 9.3737 9.3737 9.3737 9.3737 9.3793 9.3793 9.3793 9.3793 9.5809 9.5809 9.5809 9.5809 11.5466 11.5466 11.5466 11.5466 11.5525 11.5525 11.5525 11.5525 k = 0.0000 0.0000 0.3019 ( 2052 PWs) bands (ev): -4.3405 -4.3405 -4.3405 -4.3405 5.2765 5.2765 5.2765 5.2765 6.9252 6.9252 6.9252 6.9252 6.9475 6.9475 6.9475 6.9475 9.3737 9.3737 9.3737 9.3737 9.3793 9.3793 9.3793 9.3793 9.5809 9.5809 9.5809 9.5809 11.5466 11.5466 11.5466 11.5466 11.5525 11.5525 11.5525 11.5525 k = 0.0094 0.0054 0.3019 ( 2046 PWs) bands (ev): -4.3397 -4.3397 -4.3397 -4.3397 5.2760 5.2760 5.2760 5.2760 6.9240 6.9240 6.9240 6.9240 6.9464 6.9464 6.9464 6.9464 9.3728 9.3728 9.3728 9.3728 9.3799 9.3799 9.3799 9.3799 9.5824 9.5824 9.5824 9.5824 11.5443 11.5443 11.5443 11.5443 11.5516 11.5516 11.5516 11.5516 k = 0.0189 0.0109 0.3019 ( 2036 PWs) bands (ev): -4.3372 -4.3372 -4.3372 -4.3372 5.2745 5.2745 5.2745 5.2745 6.9202 6.9202 6.9202 6.9202 6.9434 6.9434 6.9434 6.9434 9.3704 9.3704 9.3704 9.3704 9.3812 9.3812 9.3812 9.3812 9.5867 9.5867 9.5867 9.5867 11.5361 11.5361 11.5361 11.5361 11.5505 11.5505 11.5505 11.5505 k = 0.0283 0.0163 0.3019 ( 2032 PWs) bands (ev): -4.3330 -4.3330 -4.3330 -4.3330 5.2720 5.2720 5.2720 5.2720 6.9131 6.9131 6.9131 6.9131 6.9392 6.9392 6.9392 6.9392 9.3669 9.3669 9.3669 9.3669 9.3826 9.3826 9.3826 9.3826 9.5940 9.5940 9.5940 9.5940 11.5216 11.5216 11.5216 11.5216 11.5496 11.5496 11.5496 11.5496 k = 0.0377 0.0218 0.3019 ( 2032 PWs) bands (ev): -4.3272 -4.3272 -4.3272 -4.3272 5.2683 5.2683 5.2683 5.2683 6.9021 6.9021 6.9021 6.9021 6.9345 6.9345 6.9345 6.9345 9.3622 9.3622 9.3622 9.3622 9.3841 9.3841 9.3841 9.3841 9.6040 9.6040 9.6040 9.6040 11.5014 11.5014 11.5014 11.5014 11.5487 11.5487 11.5487 11.5487 k = 0.0472 0.0272 0.3019 ( 2024 PWs) bands (ev): -4.3197 -4.3197 -4.3197 -4.3197 5.2635 5.2635 5.2635 5.2635 6.8874 6.8874 6.8874 6.8874 6.9295 6.9295 6.9295 6.9295 9.3563 9.3563 9.3563 9.3563 9.3858 9.3858 9.3858 9.3858 9.6170 9.6170 9.6170 9.6170 11.4763 11.4763 11.4763 11.4763 11.5475 11.5475 11.5475 11.5475 k = 0.0566 0.0327 0.3019 ( 2014 PWs) bands (ev): -4.3106 -4.3106 -4.3106 -4.3106 5.2574 5.2574 5.2574 5.2574 6.8691 6.8691 6.8691 6.8691 6.9242 6.9242 6.9242 6.9242 9.3491 9.3491 9.3491 9.3491 9.3877 9.3877 9.3877 9.3877 9.6329 9.6329 9.6329 9.6329 11.4468 11.4468 11.4468 11.4468 11.5461 11.5461 11.5461 11.5461 k = 0.0660 0.0381 0.3019 ( 2014 PWs) bands (ev): -4.2999 -4.2999 -4.2999 -4.2999 5.2498 5.2498 5.2498 5.2498 6.8478 6.8478 6.8478 6.8478 6.9183 6.9183 6.9183 6.9183 9.3403 9.3403 9.3403 9.3403 9.3899 9.3899 9.3899 9.3899 9.6515 9.6515 9.6515 9.6515 11.4134 11.4134 11.4134 11.4134 11.5442 11.5442 11.5442 11.5442 k = 0.0755 0.0436 0.3019 ( 2014 PWs) bands (ev): -4.2876 -4.2876 -4.2876 -4.2876 5.2407 5.2407 5.2407 5.2407 6.8239 6.8239 6.8239 6.8239 6.9117 6.9117 6.9117 6.9117 9.3301 9.3301 9.3301 9.3301 9.3923 9.3923 9.3923 9.3923 9.6726 9.6726 9.6726 9.6726 11.3770 11.3770 11.3770 11.3770 11.5421 11.5421 11.5421 11.5421 k = 0.0849 0.0490 0.3019 ( 2020 PWs) bands (ev): -4.2737 -4.2737 -4.2737 -4.2737 5.2299 5.2299 5.2299 5.2299 6.7978 6.7978 6.7978 6.7978 6.9045 6.9045 6.9045 6.9045 9.3183 9.3183 9.3183 9.3183 9.3951 9.3951 9.3951 9.3951 9.6960 9.6960 9.6960 9.6960 11.3381 11.3381 11.3381 11.3381 11.5394 11.5394 11.5394 11.5394 k = 0.0943 0.0545 0.3019 ( 2028 PWs) bands (ev): -4.2583 -4.2583 -4.2583 -4.2583 5.2171 5.2171 5.2171 5.2171 6.7699 6.7699 6.7699 6.7699 6.8965 6.8965 6.8965 6.8965 9.3051 9.3051 9.3051 9.3051 9.3984 9.3984 9.3984 9.3984 9.7214 9.7214 9.7214 9.7214 11.2976 11.2976 11.2976 11.2976 11.5363 11.5363 11.5363 11.5363 k = 0.1038 0.0599 0.3019 ( 2028 PWs) bands (ev): -4.2413 -4.2413 -4.2413 -4.2413 5.2023 5.2023 5.2023 5.2023 6.7408 6.7408 6.7408 6.7408 6.8879 6.8879 6.8879 6.8879 9.2905 9.2905 9.2905 9.2905 9.4022 9.4022 9.4022 9.4022 9.7488 9.7488 9.7488 9.7488 11.2561 11.2561 11.2561 11.2561 11.5327 11.5327 11.5327 11.5327 k = 0.1132 0.0654 0.3019 ( 2024 PWs) bands (ev): -4.2228 -4.2228 -4.2228 -4.2228 5.1851 5.1851 5.1851 5.1851 6.7107 6.7107 6.7107 6.7107 6.8787 6.8787 6.8787 6.8787 9.2747 9.2747 9.2747 9.2747 9.4067 9.4067 9.4067 9.4067 9.7776 9.7776 9.7776 9.7776 11.2142 11.2142 11.2142 11.2142 11.5286 11.5286 11.5286 11.5286 k = 0.1226 0.0708 0.3019 ( 2022 PWs) bands (ev): -4.2029 -4.2029 -4.2029 -4.2029 5.1654 5.1654 5.1654 5.1654 6.6802 6.6802 6.6802 6.6802 6.8687 6.8687 6.8687 6.8687 9.2576 9.2576 9.2576 9.2576 9.4117 9.4117 9.4117 9.4117 9.8077 9.8077 9.8077 9.8077 11.1727 11.1727 11.1727 11.1727 11.5239 11.5239 11.5239 11.5239 k = 0.1321 0.0763 0.3019 ( 2022 PWs) bands (ev): -4.1816 -4.1816 -4.1816 -4.1816 5.1431 5.1431 5.1431 5.1431 6.6495 6.6495 6.6495 6.6495 6.8581 6.8581 6.8581 6.8581 9.2394 9.2394 9.2394 9.2394 9.4174 9.4174 9.4174 9.4174 9.8387 9.8387 9.8387 9.8387 11.1319 11.1319 11.1319 11.1319 11.5185 11.5185 11.5185 11.5185 k = 0.1415 0.0817 0.3019 ( 2026 PWs) bands (ev): -4.1589 -4.1589 -4.1589 -4.1589 5.1178 5.1178 5.1178 5.1178 6.6191 6.6191 6.6191 6.6191 6.8469 6.8469 6.8469 6.8469 9.2201 9.2201 9.2201 9.2201 9.4239 9.4239 9.4239 9.4239 9.8702 9.8702 9.8702 9.8702 11.0927 11.0927 11.0927 11.0927 11.5124 11.5124 11.5124 11.5124 k = 0.1509 0.0871 0.3019 ( 2026 PWs) bands (ev): -4.1349 -4.1349 -4.1349 -4.1349 5.0895 5.0895 5.0895 5.0895 6.5893 6.5893 6.5893 6.5893 6.8350 6.8350 6.8350 6.8350 9.2001 9.2001 9.2001 9.2001 9.4311 9.4311 9.4311 9.4311 9.9020 9.9020 9.9020 9.9020 11.0554 11.0554 11.0554 11.0554 11.5056 11.5056 11.5056 11.5056 k = 0.1604 0.0926 0.3019 ( 2022 PWs) bands (ev): -4.1096 -4.1096 -4.1096 -4.1096 5.0580 5.0580 5.0580 5.0580 6.5605 6.5605 6.5605 6.5605 6.8226 6.8226 6.8226 6.8226 9.1794 9.1794 9.1794 9.1794 9.4392 9.4392 9.4392 9.4392 9.9337 9.9337 9.9337 9.9337 11.0207 11.0207 11.0207 11.0207 11.4980 11.4980 11.4980 11.4980 k = 0.1698 0.0980 0.3019 ( 2022 PWs) bands (ev): -4.0830 -4.0830 -4.0830 -4.0830 5.0232 5.0232 5.0232 5.0232 6.5328 6.5328 6.5328 6.5328 6.8097 6.8097 6.8097 6.8097 9.1581 9.1581 9.1581 9.1581 9.4481 9.4481 9.4481 9.4481 9.9648 9.9648 9.9648 9.9648 10.9889 10.9889 10.9889 10.9889 11.4896 11.4896 11.4896 11.4896 k = 0.1792 0.1035 0.3019 ( 2022 PWs) bands (ev): -4.0553 -4.0553 -4.0553 -4.0553 4.9851 4.9851 4.9851 4.9851 6.5065 6.5065 6.5065 6.5065 6.7963 6.7963 6.7963 6.7963 9.1365 9.1365 9.1365 9.1365 9.4579 9.4579 9.4579 9.4579 9.9950 9.9950 9.9950 9.9950 10.9607 10.9607 10.9607 10.9607 11.4804 11.4804 11.4804 11.4804 k = 0.1887 0.1089 0.3019 ( 2026 PWs) bands (ev): -4.0265 -4.0265 -4.0265 -4.0265 4.9437 4.9437 4.9437 4.9437 6.4818 6.4818 6.4818 6.4818 6.7825 6.7825 6.7825 6.7825 9.1146 9.1146 9.1146 9.1146 9.4687 9.4687 9.4687 9.4687 10.0237 10.0237 10.0237 10.0237 10.9364 10.9364 10.9364 10.9364 11.4703 11.4703 11.4703 11.4703 k = 0.1981 0.1144 0.3019 ( 2026 PWs) bands (ev): -3.9967 -3.9967 -3.9967 -3.9967 4.8991 4.8991 4.8991 4.8991 6.4587 6.4587 6.4587 6.4587 6.7683 6.7683 6.7683 6.7683 9.0928 9.0928 9.0928 9.0928 9.4803 9.4803 9.4803 9.4803 10.0507 10.0507 10.0507 10.0507 10.9166 10.9166 10.9166 10.9166 11.4594 11.4594 11.4594 11.4594 k = 0.2075 0.1198 0.3019 ( 2034 PWs) bands (ev): -3.9659 -3.9659 -3.9659 -3.9659 4.8513 4.8513 4.8513 4.8513 6.4372 6.4372 6.4372 6.4372 6.7538 6.7538 6.7538 6.7538 9.0711 9.0711 9.0711 9.0711 9.4929 9.4929 9.4929 9.4929 10.0752 10.0752 10.0752 10.0752 10.9017 10.9017 10.9017 10.9017 11.4476 11.4476 11.4476 11.4476 k = 0.2170 0.1253 0.3019 ( 2034 PWs) bands (ev): -3.9342 -3.9342 -3.9342 -3.9342 4.8007 4.8007 4.8007 4.8007 6.4174 6.4174 6.4174 6.4174 6.7390 6.7390 6.7390 6.7390 9.0498 9.0498 9.0498 9.0498 9.5064 9.5064 9.5064 9.5064 10.0972 10.0972 10.0972 10.0972 10.8920 10.8920 10.8920 10.8920 11.4348 11.4348 11.4348 11.4348 k = 0.2264 0.1307 0.3019 ( 2032 PWs) bands (ev): -3.9018 -3.9018 -3.9018 -3.9018 4.7473 4.7473 4.7473 4.7473 6.3992 6.3992 6.3992 6.3992 6.7240 6.7240 6.7240 6.7240 9.0290 9.0290 9.0290 9.0290 9.5210 9.5210 9.5210 9.5210 10.1162 10.1162 10.1162 10.1162 10.8879 10.8879 10.8879 10.8879 11.4213 11.4213 11.4213 11.4213 k = 0.2358 0.1362 0.3019 ( 2032 PWs) bands (ev): -3.8686 -3.8686 -3.8686 -3.8686 4.6915 4.6915 4.6915 4.6915 6.3825 6.3825 6.3825 6.3825 6.7088 6.7088 6.7088 6.7088 9.0090 9.0090 9.0090 9.0090 9.5364 9.5364 9.5364 9.5364 10.1319 10.1319 10.1319 10.1319 10.8894 10.8894 10.8894 10.8894 11.4068 11.4068 11.4068 11.4068 k = 0.2453 0.1416 0.3019 ( 2036 PWs) bands (ev): -3.8348 -3.8348 -3.8348 -3.8348 4.6335 4.6335 4.6335 4.6335 6.3672 6.3672 6.3672 6.3672 6.6935 6.6935 6.6935 6.6935 8.9896 8.9896 8.9896 8.9896 9.5528 9.5528 9.5528 9.5528 10.1444 10.1444 10.1444 10.1444 10.8965 10.8965 10.8965 10.8965 11.3915 11.3915 11.3915 11.3915 k = 0.2547 0.1471 0.3019 ( 2040 PWs) bands (ev): -3.8004 -3.8004 -3.8004 -3.8004 4.5737 4.5737 4.5737 4.5737 6.3532 6.3532 6.3532 6.3532 6.6782 6.6782 6.6782 6.6782 8.9714 8.9714 8.9714 8.9714 9.5700 9.5700 9.5700 9.5700 10.1536 10.1536 10.1536 10.1536 10.9090 10.9090 10.9090 10.9090 11.3754 11.3754 11.3754 11.3754 k = 0.2642 0.1525 0.3019 ( 2042 PWs) bands (ev): -3.7657 -3.7657 -3.7657 -3.7657 4.5123 4.5123 4.5123 4.5123 6.3404 6.3404 6.3404 6.3404 6.6629 6.6629 6.6629 6.6629 8.9542 8.9542 8.9542 8.9542 9.5881 9.5881 9.5881 9.5881 10.1599 10.1599 10.1599 10.1599 10.9265 10.9265 10.9265 10.9265 11.3584 11.3584 11.3584 11.3584 k = 0.2736 0.1580 0.3019 ( 2050 PWs) bands (ev): -3.7306 -3.7306 -3.7306 -3.7306 4.4498 4.4498 4.4498 4.4498 6.3286 6.3286 6.3286 6.3286 6.6476 6.6476 6.6476 6.6476 8.9382 8.9382 8.9382 8.9382 9.6069 9.6069 9.6069 9.6069 10.1636 10.1636 10.1636 10.1636 10.9485 10.9485 10.9485 10.9485 11.3406 11.3406 11.3406 11.3406 k = 0.2830 0.1634 0.3019 ( 2046 PWs) bands (ev): -3.6953 -3.6953 -3.6953 -3.6953 4.3865 4.3865 4.3865 4.3865 6.3176 6.3176 6.3176 6.3176 6.6325 6.6325 6.6325 6.6325 8.9236 8.9236 8.9236 8.9236 9.6266 9.6266 9.6266 9.6266 10.1651 10.1651 10.1651 10.1651 10.9746 10.9746 10.9746 10.9746 11.3222 11.3222 11.3222 11.3222 k = 0.2925 0.1688 0.3019 ( 2046 PWs) bands (ev): -3.6600 -3.6600 -3.6600 -3.6600 4.3227 4.3227 4.3227 4.3227 6.3075 6.3075 6.3075 6.3075 6.6176 6.6176 6.6176 6.6176 8.9103 8.9103 8.9103 8.9103 9.6470 9.6470 9.6470 9.6470 10.1649 10.1649 10.1649 10.1649 11.0041 11.0041 11.0041 11.0041 11.3032 11.3032 11.3032 11.3032 k = 0.3019 0.1743 0.3019 ( 2050 PWs) bands (ev): -3.6247 -3.6247 -3.6247 -3.6247 4.2587 4.2587 4.2587 4.2587 6.2980 6.2980 6.2980 6.2980 6.6029 6.6029 6.6029 6.6029 8.8983 8.8983 8.8983 8.8983 9.6681 9.6681 9.6681 9.6681 10.1633 10.1633 10.1633 10.1633 11.0364 11.0364 11.0364 11.0364 11.2836 11.2836 11.2836 11.2836 k = 0.3113 0.1797 0.3019 ( 2050 PWs) bands (ev): -3.5896 -3.5896 -3.5896 -3.5896 4.1949 4.1949 4.1949 4.1949 6.2891 6.2891 6.2891 6.2891 6.5885 6.5885 6.5885 6.5885 8.8877 8.8877 8.8877 8.8877 9.6898 9.6898 9.6898 9.6898 10.1607 10.1607 10.1607 10.1607 11.0708 11.0708 11.0708 11.0708 11.2636 11.2636 11.2636 11.2636 k = 0.3208 0.1852 0.3019 ( 2046 PWs) bands (ev): -3.5549 -3.5549 -3.5549 -3.5549 4.1317 4.1317 4.1317 4.1317 6.2807 6.2807 6.2807 6.2807 6.5744 6.5744 6.5744 6.5744 8.8785 8.8785 8.8785 8.8785 9.7120 9.7120 9.7120 9.7120 10.1573 10.1573 10.1573 10.1573 11.1066 11.1066 11.1066 11.1066 11.2439 11.2439 11.2439 11.2439 k = 0.3302 0.1906 0.3019 ( 2042 PWs) bands (ev): -3.5205 -3.5205 -3.5205 -3.5205 4.0694 4.0694 4.0694 4.0694 6.2727 6.2727 6.2727 6.2727 6.5608 6.5608 6.5608 6.5608 8.8706 8.8706 8.8706 8.8706 9.7346 9.7346 9.7346 9.7346 10.1536 10.1536 10.1536 10.1536 11.1417 11.1417 11.1417 11.1417 11.2259 11.2259 11.2259 11.2259 k = 0.3396 0.1961 0.3019 ( 2044 PWs) bands (ev): -3.4869 -3.4869 -3.4869 -3.4869 4.0083 4.0083 4.0083 4.0083 6.2651 6.2651 6.2651 6.2651 6.5476 6.5476 6.5476 6.5476 8.8640 8.8640 8.8640 8.8640 9.7574 9.7574 9.7574 9.7574 10.1497 10.1497 10.1497 10.1497 11.1674 11.1674 11.1674 11.1674 11.2181 11.2181 11.2181 11.2181 k = 0.3491 0.2015 0.3019 ( 2052 PWs) bands (ev): -3.4540 -3.4540 -3.4540 -3.4540 3.9486 3.9486 3.9486 3.9486 6.2578 6.2578 6.2578 6.2578 6.5349 6.5349 6.5349 6.5349 8.8586 8.8586 8.8586 8.8586 9.7804 9.7804 9.7804 9.7804 10.1455 10.1455 10.1455 10.1455 11.1637 11.1637 11.1637 11.1637 11.2401 11.2401 11.2401 11.2401 k = 0.3585 0.2070 0.3019 ( 2048 PWs) bands (ev): -3.4220 -3.4220 -3.4220 -3.4220 3.8908 3.8908 3.8908 3.8908 6.2509 6.2509 6.2509 6.2509 6.5227 6.5227 6.5227 6.5227 8.8543 8.8543 8.8543 8.8543 9.8036 9.8036 9.8036 9.8036 10.1417 10.1417 10.1417 10.1417 11.1456 11.1456 11.1456 11.1456 11.2768 11.2768 11.2768 11.2768 k = 0.3679 0.2124 0.3019 ( 2048 PWs) bands (ev): -3.3910 -3.3910 -3.3910 -3.3910 3.8351 3.8351 3.8351 3.8351 6.2443 6.2443 6.2443 6.2443 6.5111 6.5111 6.5111 6.5111 8.8511 8.8511 8.8511 8.8511 9.8267 9.8267 9.8267 9.8267 10.1380 10.1380 10.1380 10.1380 11.1248 11.1248 11.1248 11.1248 11.3164 11.3164 11.3164 11.3164 k = 0.3774 0.2179 0.3019 ( 2052 PWs) bands (ev): -3.3614 -3.3614 -3.3614 -3.3614 3.7819 3.7819 3.7819 3.7819 6.2381 6.2381 6.2381 6.2381 6.5001 6.5001 6.5001 6.5001 8.8487 8.8487 8.8487 8.8487 9.8496 9.8496 9.8496 9.8496 10.1345 10.1345 10.1345 10.1345 11.1031 11.1031 11.1031 11.1031 11.3565 11.3565 11.3565 11.3565 k = 0.3868 0.2233 0.3019 ( 2054 PWs) bands (ev): -3.3331 -3.3331 -3.3331 -3.3331 3.7313 3.7313 3.7313 3.7313 6.2321 6.2321 6.2321 6.2321 6.4898 6.4898 6.4898 6.4898 8.8471 8.8471 8.8471 8.8471 9.8721 9.8721 9.8721 9.8721 10.1314 10.1314 10.1314 10.1314 11.0815 11.0815 11.0815 11.0815 11.3965 11.3965 11.3965 11.3965 k = 0.3962 0.2288 0.3019 ( 2058 PWs) bands (ev): -3.3064 -3.3064 -3.3064 -3.3064 3.6837 3.6837 3.6837 3.6837 6.2265 6.2265 6.2265 6.2265 6.4802 6.4802 6.4802 6.4802 8.8462 8.8462 8.8462 8.8462 9.8940 9.8940 9.8940 9.8940 10.1287 10.1287 10.1287 10.1287 11.0601 11.0601 11.0601 11.0601 11.4358 11.4358 11.4358 11.4358 k = 0.4057 0.2342 0.3019 ( 2058 PWs) bands (ev): -3.2813 -3.2813 -3.2813 -3.2813 3.6392 3.6392 3.6392 3.6392 6.2213 6.2213 6.2213 6.2213 6.4713 6.4713 6.4713 6.4713 8.8459 8.8459 8.8459 8.8459 9.9151 9.9151 9.9151 9.9151 10.1264 10.1264 10.1264 10.1264 11.0392 11.0392 11.0392 11.0392 11.4738 11.4738 11.4738 11.4738 k = 0.4151 0.2397 0.3019 ( 2058 PWs) bands (ev): -3.2582 -3.2582 -3.2582 -3.2582 3.5983 3.5983 3.5983 3.5983 6.2165 6.2165 6.2165 6.2165 6.4631 6.4631 6.4631 6.4631 8.8461 8.8461 8.8461 8.8461 9.9351 9.9351 9.9351 9.9351 10.1246 10.1246 10.1246 10.1246 11.0191 11.0191 11.0191 11.0191 11.5103 11.5103 11.5103 11.5103 k = 0.4245 0.2451 0.3019 ( 2060 PWs) bands (ev): -3.2370 -3.2370 -3.2370 -3.2370 3.5610 3.5610 3.5610 3.5610 6.2120 6.2120 6.2120 6.2120 6.4558 6.4558 6.4558 6.4558 8.8466 8.8466 8.8466 8.8466 9.9539 9.9539 9.9539 9.9539 10.1233 10.1233 10.1233 10.1233 11.0000 11.0000 11.0000 11.0000 11.5448 11.5448 11.5448 11.5448 k = 0.4340 0.2505 0.3019 ( 2060 PWs) bands (ev): -3.2180 -3.2180 -3.2180 -3.2180 3.5275 3.5275 3.5275 3.5275 6.2081 6.2081 6.2081 6.2081 6.4492 6.4492 6.4492 6.4492 8.8473 8.8473 8.8473 8.8473 9.9710 9.9710 9.9710 9.9710 10.1225 10.1225 10.1225 10.1225 10.9822 10.9822 10.9822 10.9822 11.5768 11.5768 11.5768 11.5768 k = 0.4434 0.2560 0.3019 ( 2054 PWs) bands (ev): -3.2012 -3.2012 -3.2012 -3.2012 3.4982 3.4982 3.4982 3.4982 6.2046 6.2046 6.2046 6.2046 6.4435 6.4435 6.4435 6.4435 8.8482 8.8482 8.8482 8.8482 9.9864 9.9864 9.9864 9.9864 10.1222 10.1222 10.1222 10.1222 10.9660 10.9660 10.9660 10.9660 11.6058 11.6058 11.6058 11.6058 k = 0.4528 0.2614 0.3019 ( 2050 PWs) bands (ev): -3.1868 -3.1868 -3.1868 -3.1868 3.4730 3.4730 3.4730 3.4730 6.2016 6.2016 6.2016 6.2016 6.4387 6.4387 6.4387 6.4387 8.8491 8.8491 8.8491 8.8491 9.9996 9.9996 9.9996 9.9996 10.1225 10.1225 10.1225 10.1225 10.9517 10.9517 10.9517 10.9517 11.6314 11.6314 11.6314 11.6314 k = 0.4623 0.2669 0.3019 ( 2050 PWs) bands (ev): -3.1749 -3.1749 -3.1749 -3.1749 3.4523 3.4523 3.4523 3.4523 6.1991 6.1991 6.1991 6.1991 6.4347 6.4347 6.4347 6.4347 8.8499 8.8499 8.8499 8.8499 10.0104 10.0104 10.0104 10.0104 10.1231 10.1231 10.1231 10.1231 10.9394 10.9394 10.9394 10.9394 11.6531 11.6531 11.6531 11.6531 k = 0.4717 0.2723 0.3019 ( 2052 PWs) bands (ev): -3.1656 -3.1656 -3.1656 -3.1656 3.4360 3.4360 3.4360 3.4360 6.1972 6.1972 6.1972 6.1972 6.4315 6.4315 6.4315 6.4315 8.8506 8.8506 8.8506 8.8506 10.0188 10.0188 10.0188 10.0188 10.1239 10.1239 10.1239 10.1239 10.9296 10.9296 10.9296 10.9296 11.6706 11.6706 11.6706 11.6706 k = 0.4811 0.2778 0.3019 ( 2060 PWs) bands (ev): -3.1588 -3.1588 -3.1588 -3.1588 3.4243 3.4243 3.4243 3.4243 6.1957 6.1957 6.1957 6.1957 6.4293 6.4293 6.4293 6.4293 8.8511 8.8511 8.8511 8.8511 10.0247 10.0247 10.0247 10.0247 10.1246 10.1246 10.1246 10.1246 10.9224 10.9224 10.9224 10.9224 11.6832 11.6832 11.6832 11.6832 k = 0.4906 0.2832 0.3019 ( 2064 PWs) bands (ev): -3.1548 -3.1548 -3.1548 -3.1548 3.4172 3.4172 3.4172 3.4172 6.1948 6.1948 6.1948 6.1948 6.4279 6.4279 6.4279 6.4279 8.8514 8.8514 8.8514 8.8514 10.0282 10.0282 10.0282 10.0282 10.1252 10.1252 10.1252 10.1252 10.9180 10.9180 10.9180 10.9180 11.6910 11.6910 11.6910 11.6910 k = 0.5000 0.2887 0.3019 ( 2060 PWs) bands (ev): -3.1534 -3.1534 -3.1534 -3.1534 3.4149 3.4149 3.4149 3.4149 6.1945 6.1945 6.1945 6.1945 6.4275 6.4275 6.4275 6.4275 8.8516 8.8516 8.8516 8.8516 10.0294 10.0294 10.0294 10.0294 10.1255 10.1255 10.1255 10.1255 10.9165 10.9165 10.9165 10.9165 11.6936 11.6936 11.6936 11.6936 k = 0.5000 0.2887 0.3019 ( 2060 PWs) bands (ev): -3.1534 -3.1534 -3.1534 -3.1534 3.4149 3.4149 3.4149 3.4149 6.1945 6.1945 6.1945 6.1945 6.4275 6.4275 6.4275 6.4275 8.8516 8.8516 8.8516 8.8516 10.0294 10.0294 10.0294 10.0294 10.1255 10.1255 10.1255 10.1255 10.9165 10.9165 10.9165 10.9165 11.6936 11.6936 11.6936 11.6936 k = 0.4946 0.2980 0.3019 ( 2062 PWs) bands (ev): -3.1532 -3.1532 -3.1529 -3.1529 3.4158 3.4158 3.4162 3.4162 6.1923 6.1923 6.1946 6.1946 6.4241 6.4241 6.4250 6.4250 8.8521 8.8521 8.8537 8.8537 10.0263 10.0263 10.0321 10.0321 10.1220 10.1220 10.1274 10.1274 10.9127 10.9127 10.9128 10.9128 11.6978 11.6978 11.6980 11.6980 k = 0.4892 0.3073 0.3019 ( 2058 PWs) bands (ev): -3.1523 -3.1523 -3.1517 -3.1517 3.4189 3.4189 3.4197 3.4197 6.1878 6.1878 6.1925 6.1925 6.4152 6.4152 6.4171 6.4171 8.8554 8.8554 8.8586 8.8586 10.0228 10.0228 10.0345 10.0345 10.1170 10.1170 10.1277 10.1277 10.9020 10.9020 10.9020 10.9020 11.7103 11.7103 11.7107 11.7107 k = 0.4839 0.3166 0.3019 ( 2058 PWs) bands (ev): -3.1507 -3.1507 -3.1499 -3.1499 3.4243 3.4243 3.4254 3.4254 6.1805 6.1805 6.1879 6.1879 6.4010 6.4010 6.4042 6.4042 8.8613 8.8613 8.8661 8.8661 10.0189 10.0189 10.0364 10.0364 10.1103 10.1103 10.1264 10.1264 10.8850 10.8850 10.8852 10.8852 11.7301 11.7301 11.7308 11.7308 k = 0.4785 0.3259 0.3019 ( 2056 PWs) bands (ev): -3.1484 -3.1484 -3.1473 -3.1473 3.4319 3.4319 3.4333 3.4333 6.1697 6.1697 6.1800 6.1800 6.3825 6.3825 6.3873 6.3873 8.8698 8.8698 8.8760 8.8760 10.0145 10.0145 10.0380 10.0380 10.1022 10.1022 10.1238 10.1238 10.8632 10.8632 10.8637 10.8637 11.7557 11.7557 11.7568 11.7568 k = 0.4731 0.3352 0.3019 ( 2056 PWs) bands (ev): -3.1454 -3.1454 -3.1441 -3.1441 3.4416 3.4416 3.4434 3.4434 6.1543 6.1543 6.1678 6.1678 6.3611 6.3611 6.3679 6.3679 8.8807 8.8807 8.8882 8.8882 10.0094 10.0094 10.0391 10.0391 10.0927 10.0927 10.1197 10.1197 10.8381 10.8381 10.8391 10.8391 11.7857 11.7857 11.7872 11.7872 k = 0.4677 0.3445 0.3019 ( 2058 PWs) bands (ev): -3.1418 -3.1418 -3.1402 -3.1402 3.4536 3.4536 3.4557 3.4557 6.1328 6.1328 6.1497 6.1497 6.3388 6.3388 6.3478 6.3478 8.8938 8.8938 8.9025 8.9025 10.0038 10.0038 10.0395 10.0395 10.0822 10.0822 10.1145 10.1145 10.8109 10.8109 10.8126 10.8126 11.8187 11.8187 11.8208 11.8208 k = 0.4624 0.3539 0.3019 ( 2062 PWs) bands (ev): -3.1376 -3.1376 -3.1357 -3.1357 3.4677 3.4677 3.4702 3.4702 6.1041 6.1041 6.1238 6.1238 6.3178 6.3178 6.3286 6.3286 8.9088 8.9088 8.9187 8.9187 9.9973 9.9973 10.0384 10.0384 10.0714 10.0714 10.1083 10.1083 10.7828 10.7828 10.7854 10.7854 11.8535 11.8535 11.8562 11.8562 k = 0.4570 0.3632 0.3019 ( 2062 PWs) bands (ev): -3.1328 -3.1328 -3.1307 -3.1307 3.4840 3.4840 3.4869 3.4869 6.0673 6.0673 6.0890 6.0890 6.2998 6.2998 6.3117 6.3117 8.9257 8.9257 8.9366 8.9366 9.9898 9.9898 10.0340 10.0340 10.0627 10.0627 10.1017 10.1017 10.7546 10.7546 10.7583 10.7583 11.8892 11.8892 11.8926 11.8926 k = 0.4516 0.3725 0.3019 ( 2062 PWs) bands (ev): -3.1274 -3.1274 -3.1251 -3.1251 3.5025 3.5025 3.5057 3.5057 6.0224 6.0224 6.0453 6.0453 6.2853 6.2853 6.2975 6.2975 8.9441 8.9441 8.9558 8.9558 9.9810 9.9810 10.0239 10.0239 10.0585 10.0585 10.0950 10.0950 10.7269 10.7269 10.7320 10.7320 11.9251 11.9251 11.9292 11.9292 k = 0.4462 0.3818 0.3019 ( 2066 PWs) bands (ev): -3.1215 -3.1215 -3.1189 -3.1189 3.5231 3.5231 3.5266 3.5266 5.9701 5.9701 5.9934 5.9934 6.2740 6.2740 6.2858 6.2858 8.9638 8.9638 8.9761 8.9761 9.9707 9.9707 10.0090 10.0090 10.0580 10.0580 10.0887 10.0887 10.7002 10.7002 10.7068 10.7068 11.9606 11.9606 11.9656 11.9656 k = 0.4409 0.3911 0.3019 ( 2066 PWs) bands (ev): -3.1152 -3.1152 -3.1123 -3.1123 3.5458 3.5458 3.5496 3.5496 5.9114 5.9114 5.9348 5.9348 6.2650 6.2650 6.2762 6.2762 8.9847 8.9847 8.9975 8.9975 9.9587 9.9587 9.9915 9.9915 10.0595 10.0595 10.0835 10.0835 10.6747 10.6747 10.6829 10.6829 11.9955 11.9955 12.0013 12.0013 k = 0.4355 0.4004 0.3019 ( 2062 PWs) bands (ev): -3.1084 -3.1084 -3.1053 -3.1053 3.5706 3.5706 3.5747 3.5747 5.8474 5.8474 5.8707 5.8707 6.2577 6.2577 6.2681 6.2681 9.0064 9.0064 9.0197 9.0197 9.9448 9.9448 9.9724 9.9724 10.0622 10.0622 10.0796 10.0796 10.6505 10.6505 10.6606 10.6606 12.0295 12.0295 12.0360 12.0360 k = 0.4301 0.4097 0.3019 ( 2062 PWs) bands (ev): -3.1012 -3.1012 -3.0979 -3.0979 3.5974 3.5974 3.6018 3.6018 5.7791 5.7791 5.8021 5.8021 6.2515 6.2515 6.2612 6.2612 9.0288 9.0288 9.0423 9.0423 9.9291 9.9291 9.9520 9.9520 10.0659 10.0659 10.0773 10.0773 10.6278 10.6278 10.6397 10.6397 12.0623 12.0623 12.0696 12.0696 k = 0.4247 0.4190 0.3019 ( 2060 PWs) bands (ev): -3.0937 -3.0937 -3.0902 -3.0902 3.6263 3.6263 3.6309 3.6309 5.7071 5.7071 5.7299 5.7299 6.2461 6.2461 6.2551 6.2551 9.0517 9.0517 9.0653 9.0653 9.9118 9.9118 9.9309 9.9309 10.0707 10.0707 10.0767 10.0767 10.6062 10.6062 10.6201 10.6201 12.0939 12.0939 12.1021 12.1021 k = 0.4194 0.4284 0.3019 ( 2064 PWs) bands (ev): -3.0859 -3.0859 -3.0822 -3.0822 3.6571 3.6571 3.6621 3.6621 5.6323 5.6323 5.6550 5.6550 6.2413 6.2413 6.2497 6.2497 9.0748 9.0748 9.0885 9.0885 9.8932 9.8932 9.9092 9.9092 10.0763 10.0763 10.0778 10.0778 10.5857 10.5857 10.6017 10.6017 12.1243 12.1243 12.1332 12.1332 k = 0.4140 0.4377 0.3019 ( 2066 PWs) bands (ev): -3.0780 -3.0780 -3.0740 -3.0740 3.6899 3.6899 3.6951 3.6951 5.5554 5.5554 5.5778 5.5778 6.2369 6.2369 6.2447 6.2447 9.0981 9.0981 9.1117 9.1117 9.8736 9.8736 9.8872 9.8872 10.0806 10.0806 10.0830 10.0830 10.5662 10.5662 10.5842 10.5842 12.1534 12.1534 12.1631 12.1631 k = 0.4086 0.4470 0.3019 ( 2058 PWs) bands (ev): -3.0699 -3.0699 -3.0658 -3.0658 3.7246 3.7246 3.7300 3.7300 5.4768 5.4768 5.4991 5.4991 6.2328 6.2328 6.2402 6.2402 9.1214 9.1214 9.1349 9.1349 9.8533 9.8533 9.8652 9.8652 10.0851 10.0851 10.0908 10.0908 10.5475 10.5475 10.5677 10.5677 12.1812 12.1812 12.1916 12.1916 k = 0.4032 0.4563 0.3019 ( 2066 PWs) bands (ev): -3.0618 -3.0618 -3.0575 -3.0575 3.7612 3.7612 3.7667 3.7667 5.3971 5.3971 5.4194 5.4194 6.2290 6.2290 6.2360 6.2360 9.1445 9.1445 9.1578 9.1578 9.8325 9.8325 9.8430 9.8430 10.0909 10.0909 10.0994 10.0994 10.5296 10.5296 10.5519 10.5519 12.2077 12.2077 12.2187 12.2187 k = 0.3978 0.4656 0.3019 ( 2066 PWs) bands (ev): -3.0537 -3.0537 -3.0492 -3.0492 3.7995 3.7995 3.8052 3.8052 5.3170 5.3170 5.3391 5.3391 6.2255 6.2255 6.2321 6.2321 9.1673 9.1673 9.1804 9.1804 9.8115 9.8115 9.8212 9.8212 10.0981 10.0981 10.1092 10.1092 10.5121 10.5121 10.5368 10.5368 12.2329 12.2329 12.2445 12.2445 k = 0.3925 0.4749 0.3019 ( 2058 PWs) bands (ev): -3.0457 -3.0457 -3.0411 -3.0411 3.8396 3.8396 3.8454 3.8454 5.2368 5.2368 5.2589 5.2589 6.2222 6.2222 6.2285 6.2285 9.1897 9.1897 9.2026 9.2026 9.7906 9.7906 9.7997 9.7997 10.1066 10.1066 10.1201 10.1201 10.4951 10.4951 10.5221 10.5221 12.2567 12.2567 12.2689 12.2689 k = 0.3871 0.4842 0.3019 ( 2062 PWs) bands (ev): -3.0380 -3.0380 -3.0331 -3.0331 3.8813 3.8813 3.8871 3.8871 5.1570 5.1570 5.1792 5.1792 6.2191 6.2191 6.2251 6.2251 9.2114 9.2114 9.2240 9.2240 9.7700 9.7700 9.7787 9.7787 10.1162 10.1162 10.1321 10.1321 10.4782 10.4782 10.5077 10.5077 12.2790 12.2790 12.2918 12.2918 k = 0.3817 0.4935 0.3019 ( 2066 PWs) bands (ev): -3.0305 -3.0305 -3.0255 -3.0255 3.9245 3.9245 3.9302 3.9302 5.0781 5.0781 5.1004 5.1004 6.2162 6.2162 6.2220 6.2220 9.2323 9.2323 9.2447 9.2447 9.7498 9.7498 9.7585 9.7585 10.1268 10.1268 10.1450 10.1450 10.4614 10.4614 10.4937 10.4937 12.2999 12.2999 12.3132 12.3132 k = 0.3763 0.5029 0.3019 ( 2068 PWs) bands (ev): -3.0234 -3.0234 -3.0183 -3.0183 3.9690 3.9690 3.9746 3.9746 5.0005 5.0005 5.0231 5.0231 6.2136 6.2136 6.2192 6.2192 9.2523 9.2523 9.2646 9.2646 9.7303 9.7303 9.7391 9.7391 10.1382 10.1382 10.1590 10.1590 10.4446 10.4446 10.4799 10.4799 12.3192 12.3192 12.3329 12.3329 k = 0.3710 0.5122 0.3019 ( 2064 PWs) bands (ev): -3.0167 -3.0167 -3.0115 -3.0115 4.0147 4.0147 4.0199 4.0199 4.9248 4.9248 4.9478 4.9478 6.2113 6.2113 6.2167 6.2167 9.2711 9.2711 9.2833 9.2833 9.7118 9.7118 9.7209 9.7209 10.1501 10.1501 10.1738 10.1738 10.4278 10.4278 10.4666 10.4666 12.3369 12.3369 12.3509 12.3509 k = 0.3656 0.5215 0.3019 ( 2068 PWs) bands (ev): -3.0107 -3.0107 -3.0053 -3.0053 4.0613 4.0613 4.0660 4.0660 4.8515 4.8515 4.8751 4.8751 6.2092 6.2092 6.2145 6.2145 9.2884 9.2884 9.3007 9.3007 9.6945 9.6945 9.7041 9.7041 10.1621 10.1621 10.1893 10.1893 10.4109 10.4109 10.4536 10.4536 12.3527 12.3527 12.3671 12.3671 k = 0.3602 0.5308 0.3019 ( 2068 PWs) bands (ev): -3.0053 -3.0053 -2.9999 -2.9999 4.1082 4.1082 4.1121 4.1121 4.7815 4.7815 4.8059 4.8059 6.2074 6.2074 6.2126 6.2126 9.3040 9.3040 9.3164 9.3164 9.6787 9.6787 9.6889 9.6889 10.1740 10.1740 10.2054 10.2054 10.3940 10.3940 10.4415 10.4415 12.3666 12.3666 12.3812 12.3812 k = 0.3548 0.5401 0.3019 ( 2068 PWs) bands (ev): -3.0006 -3.0006 -2.9952 -2.9952 4.1547 4.1547 4.1573 4.1573 4.7156 4.7156 4.7413 4.7413 6.2059 6.2059 6.2110 6.2110 9.3175 9.3175 9.3302 9.3302 9.6649 9.6649 9.6757 9.6757 10.1853 10.1853 10.2220 10.2220 10.3771 10.3771 10.4303 10.4303 12.3783 12.3783 12.3932 12.3932 k = 0.3495 0.5494 0.3019 ( 2072 PWs) bands (ev): -2.9969 -2.9969 -2.9913 -2.9913 4.1993 4.1993 4.2001 4.2001 4.6557 4.6557 4.6832 4.6832 6.2047 6.2047 6.2098 6.2098 9.3285 9.3285 9.3415 9.3415 9.6534 9.6534 9.6650 9.6650 10.1954 10.1954 10.2386 10.2386 10.3602 10.3602 10.4205 10.4205 12.3878 12.3878 12.4028 12.4028 k = 0.3441 0.5587 0.3019 ( 2064 PWs) bands (ev): -2.9941 -2.9941 -2.9885 -2.9885 4.2375 4.2375 4.2391 4.2391 4.6046 4.6046 4.6347 4.6347 6.2039 6.2039 6.2089 6.2089 9.3367 9.3367 9.3501 9.3501 9.6449 9.6449 9.6570 9.6570 10.2036 10.2036 10.2549 10.2549 10.3441 10.3441 10.4127 10.4127 12.3948 12.3948 12.4100 12.4100 k = 0.3387 0.5680 0.3019 ( 2064 PWs) bands (ev): -2.9923 -2.9923 -2.9867 -2.9867 4.2644 4.2644 4.2687 4.2687 4.5682 4.5682 4.6010 4.6010 6.2033 6.2033 6.2083 6.2083 9.3417 9.3417 9.3553 9.3553 9.6396 9.6396 9.6522 9.6522 10.2089 10.2089 10.2690 10.2690 10.3301 10.3301 10.4076 10.4076 12.3991 12.3991 12.4144 12.4144 k = 0.3333 0.5774 0.3019 ( 2064 PWs) bands (ev): -2.9917 -2.9917 -2.9861 -2.9861 4.2744 4.2744 4.2800 4.2800 4.5546 4.5546 4.5887 4.5887 6.2031 6.2031 6.2081 6.2081 9.3434 9.3434 9.3571 9.3571 9.6378 9.6378 9.6506 9.6506 10.2109 10.2109 10.2756 10.2756 10.3236 10.3236 10.4059 10.4059 12.4006 12.4006 12.4159 12.4159 k = 0.3333 0.5774 0.3019 ( 2064 PWs) bands (ev): -2.9917 -2.9917 -2.9861 -2.9861 4.2744 4.2744 4.2800 4.2800 4.5546 4.5546 4.5887 4.5887 6.2031 6.2031 6.2081 6.2081 9.3434 9.3434 9.3571 9.3571 9.6378 9.6378 9.6506 9.6506 10.2109 10.2109 10.2756 10.2756 10.3236 10.3236 10.4059 10.4059 12.4006 12.4006 12.4159 12.4159 k = 0.3280 0.5680 0.3019 ( 2064 PWs) bands (ev): -2.9923 -2.9923 -2.9867 -2.9867 4.2648 4.2648 4.2692 4.2692 4.5678 4.5678 4.6006 4.6006 6.2033 6.2033 6.2083 6.2083 9.3418 9.3418 9.3554 9.3554 9.6396 9.6396 9.6521 9.6521 10.2089 10.2089 10.2688 10.2688 10.3302 10.3302 10.4077 10.4077 12.3991 12.3991 12.4143 12.4143 k = 0.3226 0.5587 0.3019 ( 2064 PWs) bands (ev): -2.9943 -2.9943 -2.9887 -2.9887 4.2403 4.2403 4.2422 4.2422 4.6019 4.6019 4.6322 4.6322 6.2039 6.2039 6.2089 6.2089 9.3371 9.3371 9.3505 9.3505 9.6445 9.6445 9.6566 9.6566 10.2031 10.2031 10.2541 10.2541 10.3447 10.3447 10.4130 10.4130 12.3944 12.3944 12.4096 12.4096 k = 0.3172 0.5494 0.3019 ( 2072 PWs) bands (ev): -2.9976 -2.9976 -2.9921 -2.9921 4.2076 4.2076 4.2081 4.2081 4.6484 4.6484 4.6763 4.6763 6.2048 6.2048 6.2099 6.2099 9.3297 9.3297 9.3427 9.3427 9.6522 9.6522 9.6634 9.6634 10.1939 10.1939 10.2367 10.2367 10.3616 10.3616 10.4213 10.4213 12.3864 12.3864 12.4015 12.4015 k = 0.3118 0.5401 0.3019 ( 2068 PWs) bands (ev): -3.0025 -3.0025 -2.9970 -2.9970 4.1711 4.1711 4.1732 4.1732 4.7017 4.7017 4.7280 4.7280 6.2061 6.2061 6.2112 6.2112 9.3202 9.3202 9.3327 9.3327 9.6621 9.6621 9.6723 9.6723 10.1821 10.1821 10.2183 10.2183 10.3795 10.3795 10.4319 10.4319 12.3750 12.3750 12.3900 12.3900 k = 0.3065 0.5308 0.3019 ( 2068 PWs) bands (ev): -3.0088 -3.0088 -3.0034 -3.0034 4.1354 4.1354 4.1386 4.1386 4.7592 4.7592 4.7843 4.7843 6.2078 6.2078 6.2130 6.2130 9.3089 9.3089 9.3210 9.3210 9.6735 9.6735 9.6824 9.6824 10.1683 10.1683 10.1996 10.1996 10.3976 10.3976 10.4443 10.4443 12.3602 12.3602 12.3751 12.3751 k = 0.3011 0.5215 0.3019 ( 2072 PWs) bands (ev): -3.0168 -3.0168 -3.0114 -3.0114 4.1019 4.1019 4.1059 4.1059 4.8194 4.8194 4.8438 4.8438 6.2099 6.2099 6.2151 6.2151 9.2963 9.2963 9.3081 9.3081 9.6859 9.6859 9.6933 9.6933 10.1531 10.1531 10.1809 10.1809 10.4156 10.4156 10.4577 10.4577 12.3421 12.3421 12.3568 12.3568 k = 0.2957 0.5122 0.3019 ( 2076 PWs) bands (ev): -3.0263 -3.0263 -3.0211 -3.0211 4.0715 4.0715 4.0759 4.0759 4.8815 4.8815 4.9053 4.9053 6.2124 6.2124 6.2177 6.2177 9.2827 9.2827 9.2943 9.2943 9.6986 9.6986 9.7044 9.7044 10.1371 10.1371 10.1626 10.1626 10.4333 10.4333 10.4717 10.4717 12.3206 12.3206 12.3352 12.3352 k = 0.2903 0.5029 0.3019 ( 2076 PWs) bands (ev): -3.0375 -3.0375 -3.0324 -3.0324 4.0447 4.0447 4.0493 4.0493 4.9450 4.9450 4.9685 4.9685 6.2153 6.2153 6.2206 6.2206 9.2685 9.2685 9.2799 9.2799 9.7113 9.7113 9.7153 9.7153 10.1210 10.1210 10.1450 10.1450 10.4508 10.4508 10.4861 10.4861 12.2959 12.2959 12.3105 12.3105 k = 0.2849 0.4935 0.3019 ( 2068 PWs) bands (ev): -3.0504 -3.0504 -3.0455 -3.0455 4.0217 4.0217 4.0265 4.0265 5.0095 5.0095 5.0328 5.0328 6.2186 6.2186 6.2240 6.2240 9.2540 9.2540 9.2653 9.2653 9.7234 9.7234 9.7253 9.7253 10.1052 10.1052 10.1286 10.1286 10.4678 10.4678 10.5007 10.5007 12.2683 12.2683 12.2828 12.2828 k = 0.2796 0.4842 0.3019 ( 2064 PWs) bands (ev): -3.0650 -3.0650 -3.0602 -3.0602 4.0028 4.0028 4.0076 4.0076 5.0748 5.0748 5.0980 5.0980 6.2223 6.2223 6.2277 6.2277 9.2392 9.2392 9.2506 9.2506 9.7339 9.7339 9.7342 9.7342 10.0903 10.0903 10.1136 10.1136 10.4845 10.4845 10.5152 10.5152 12.2379 12.2379 12.2523 12.2523 k = 0.2742 0.4749 0.3019 ( 2060 PWs) bands (ev): -3.0813 -3.0813 -3.0766 -3.0766 3.9880 3.9880 3.9927 3.9927 5.1407 5.1407 5.1638 5.1638 6.2263 6.2263 6.2318 6.2318 9.2244 9.2244 9.2359 9.2359 9.7405 9.7405 9.7432 9.7432 10.0771 10.0771 10.1009 10.1009 10.5004 10.5004 10.5293 10.5293 12.2049 12.2049 12.2194 12.2194 k = 0.2688 0.4656 0.3019 ( 2064 PWs) bands (ev): -3.0993 -3.0993 -3.0947 -3.0947 3.9775 3.9775 3.9820 3.9820 5.2069 5.2069 5.2300 5.2300 6.2306 6.2306 6.2362 6.2362 9.2097 9.2097 9.2214 9.2214 9.7446 9.7446 9.7495 9.7495 10.0660 10.0660 10.0905 10.0905 10.5158 10.5158 10.5431 10.5431 12.1697 12.1697 12.1843 12.1843 k = 0.2634 0.4563 0.3019 ( 2068 PWs) bands (ev): -3.1189 -3.1189 -3.1145 -3.1145 3.9711 3.9711 3.9755 3.9755 5.2732 5.2732 5.2964 5.2964 6.2353 6.2353 6.2410 6.2410 9.1953 9.1953 9.2073 9.2073 9.7456 9.7456 9.7527 9.7527 10.0577 10.0577 10.0831 10.0831 10.5304 10.5304 10.5564 10.5564 12.1326 12.1326 12.1474 12.1474 k = 0.2581 0.4470 0.3019 ( 2068 PWs) bands (ev): -3.1402 -3.1402 -3.1360 -3.1360 3.9690 3.9690 3.9731 3.9731 5.3397 5.3397 5.3629 5.3629 6.2404 6.2404 6.2460 6.2460 9.1812 9.1812 9.1936 9.1936 9.7433 9.7433 9.7522 9.7522 10.0530 10.0530 10.0790 10.0790 10.5444 10.5444 10.5693 10.5693 12.0941 12.0941 12.1090 12.1090 k = 0.2527 0.4377 0.3019 ( 2068 PWs) bands (ev): -3.1630 -3.1630 -3.1589 -3.1589 3.9711 3.9711 3.9750 3.9750 5.4060 5.4060 5.4293 5.4293 6.2457 6.2457 6.2514 6.2514 9.1676 9.1676 9.1805 9.1805 9.7377 9.7377 9.7478 9.7478 10.0520 10.0520 10.0784 10.0784 10.5576 10.5576 10.5815 10.5815 12.0543 12.0543 12.0696 12.0696 k = 0.2473 0.4284 0.3019 ( 2064 PWs) bands (ev): -3.1873 -3.1873 -3.1834 -3.1834 3.9773 3.9773 3.9810 3.9810 5.4720 5.4720 5.4954 5.4954 6.2514 6.2514 6.2570 6.2570 9.1545 9.1545 9.1681 9.1681 9.7287 9.7287 9.7394 9.7394 10.0546 10.0546 10.0810 10.0810 10.5701 10.5701 10.5933 10.5933 12.0138 12.0138 12.0295 12.0295 k = 0.2419 0.4190 0.3019 ( 2064 PWs) bands (ev): -3.2130 -3.2130 -3.2094 -3.2094 3.9876 3.9876 3.9909 3.9909 5.5376 5.5376 5.5610 5.5610 6.2573 6.2573 6.2629 6.2629 9.1421 9.1421 9.1564 9.1564 9.7169 9.7169 9.7277 9.7277 10.0605 10.0605 10.0865 10.0865 10.5816 10.5816 10.6043 10.6043 11.9728 11.9728 11.9891 11.9891 k = 0.2366 0.4097 0.3019 ( 2064 PWs) bands (ev): -3.2402 -3.2402 -3.2367 -3.2367 4.0017 4.0017 4.0048 4.0048 5.6026 5.6026 5.6260 5.6260 6.2635 6.2635 6.2691 6.2691 9.1304 9.1304 9.1455 9.1455 9.7027 9.7027 9.7130 9.7130 10.0691 10.0691 10.0944 10.0944 10.5922 10.5922 10.6145 10.6145 11.9318 11.9318 11.9486 11.9486 k = 0.2312 0.4004 0.3019 ( 2064 PWs) bands (ev): -3.2686 -3.2686 -3.2653 -3.2653 4.0197 4.0197 4.0224 4.0224 5.6670 5.6670 5.6903 5.6903 6.2700 6.2700 6.2754 6.2754 9.1196 9.1196 9.1356 9.1356 9.6866 9.6866 9.6962 9.6962 10.0798 10.0798 10.1042 10.1042 10.6019 10.6019 10.6240 10.6240 11.8910 11.8910 11.9086 11.9086 k = 0.2258 0.3911 0.3019 ( 2068 PWs) bands (ev): -3.2982 -3.2982 -3.2951 -3.2951 4.0413 4.0413 4.0437 4.0437 5.7304 5.7304 5.7537 5.7537 6.2767 6.2767 6.2820 6.2820 9.1096 9.1096 9.1267 9.1267 9.6691 9.6691 9.6776 9.6776 10.0919 10.0919 10.1155 10.1155 10.6106 10.6106 10.6327 10.6327 11.8508 11.8508 11.8692 11.8692 k = 0.2204 0.3818 0.3019 ( 2066 PWs) bands (ev): -3.3288 -3.3288 -3.3259 -3.3259 4.0664 4.0664 4.0686 4.0686 5.7929 5.7929 5.8160 5.8160 6.2837 6.2837 6.2887 6.2887 9.1006 9.1006 9.1188 9.1188 9.6507 9.6507 9.6579 9.6579 10.1050 10.1050 10.1279 10.1279 10.6183 10.6183 10.6408 10.6408 11.8115 11.8115 11.8309 11.8309 k = 0.2151 0.3725 0.3019 ( 2070 PWs) bands (ev): -3.3605 -3.3605 -3.3578 -3.3578 4.0947 4.0947 4.0966 4.0966 5.8542 5.8542 5.8770 5.8770 6.2910 6.2910 6.2957 6.2957 9.0927 9.0927 9.1121 9.1121 9.6317 9.6317 9.6376 9.6376 10.1187 10.1187 10.1409 10.1409 10.6247 10.6247 10.6479 10.6479 11.7734 11.7734 11.7939 11.7939 k = 0.2097 0.3632 0.3019 ( 2074 PWs) bands (ev): -3.3931 -3.3931 -3.3905 -3.3905 4.1262 4.1262 4.1279 4.1279 5.9142 5.9142 5.9366 5.9366 6.2986 6.2986 6.3028 6.3028 9.0859 9.0859 9.1066 9.1066 9.6125 9.6125 9.6169 9.6169 10.1325 10.1325 10.1543 10.1543 10.6301 10.6301 10.6543 10.6543 11.7370 11.7370 11.7586 11.7586 k = 0.2043 0.3539 0.3019 ( 2074 PWs) bands (ev): -3.4264 -3.4264 -3.4240 -3.4240 4.1606 4.1606 4.1620 4.1620 5.9729 5.9729 5.9946 5.9946 6.3066 6.3066 6.3102 6.3102 9.0803 9.0803 9.1023 9.1023 9.5934 9.5934 9.5961 9.5961 10.1461 10.1461 10.1677 10.1677 10.6344 10.6344 10.6599 10.6599 11.7023 11.7023 11.7252 11.7252 k = 0.1989 0.3445 0.3019 ( 2070 PWs) bands (ev): -3.4603 -3.4603 -3.4581 -3.4581 4.1977 4.1977 4.1988 4.1988 6.0300 6.0300 6.0508 6.0508 6.3151 6.3151 6.3178 6.3178 9.0760 9.0760 9.0994 9.0994 9.5746 9.5746 9.5756 9.5756 10.1593 10.1593 10.1809 10.1809 10.6377 10.6377 10.6649 10.6649 11.6698 11.6698 11.6940 11.6940 k = 0.1935 0.3352 0.3019 ( 2066 PWs) bands (ev): -3.4948 -3.4948 -3.4928 -3.4928 4.2372 4.2372 4.2381 4.2381 6.0854 6.0854 6.1048 6.1048 6.3243 6.3243 6.3257 6.3257 9.0728 9.0728 9.0978 9.0978 9.5555 9.5555 9.5563 9.5563 10.1716 10.1716 10.1935 10.1935 10.6400 10.6400 10.6693 10.6693 11.6396 11.6396 11.6653 11.6653 k = 0.1882 0.3259 0.3019 ( 2066 PWs) bands (ev): -3.5298 -3.5298 -3.5279 -3.5279 4.2790 4.2790 4.2796 4.2796 6.1389 6.1389 6.1563 6.1563 6.3340 6.3340 6.3345 6.3345 9.0710 9.0710 9.0975 9.0975 9.5360 9.5360 9.5387 9.5387 10.1826 10.1826 10.2052 10.2052 10.6416 10.6416 10.6732 10.6732 11.6119 11.6119 11.6391 11.6391 k = 0.1828 0.3166 0.3019 ( 2062 PWs) bands (ev): -3.5650 -3.5650 -3.5633 -3.5633 4.3226 4.3226 4.3230 4.3230 6.1903 6.1903 6.2045 6.2045 6.3428 6.3428 6.3464 6.3464 9.0704 9.0704 9.0985 9.0985 9.5173 9.5173 9.5219 9.5219 10.1920 10.1920 10.2155 10.2155 10.6427 10.6427 10.6771 10.6771 11.5868 11.5868 11.6156 11.6156 k = 0.1774 0.3073 0.3019 ( 2058 PWs) bands (ev): -3.6005 -3.6005 -3.5989 -3.5989 4.3679 4.3679 4.3682 4.3682 6.2391 6.2391 6.2483 6.2483 6.3527 6.3527 6.3611 6.3611 9.0711 9.0711 9.1009 9.1009 9.4993 9.4993 9.5060 9.5060 10.1996 10.1996 10.2242 10.2242 10.6438 10.6438 10.6812 10.6812 11.5646 11.5646 11.5948 11.5948 k = 0.1720 0.2980 0.3019 ( 2050 PWs) bands (ev): -3.6360 -3.6360 -3.6346 -3.6346 4.4146 4.4146 4.4147 4.4147 6.2846 6.2846 6.2857 6.2857 6.3643 6.3643 6.3805 6.3805 9.0732 9.0732 9.1046 9.1046 9.4824 9.4824 9.4911 9.4911 10.2046 10.2046 10.2305 10.2305 10.6455 10.6455 10.6860 10.6860 11.5452 11.5452 11.5769 11.5769 k = 0.1667 0.2887 0.3019 ( 2054 PWs) bands (ev): -3.6716 -3.6716 -3.6702 -3.6702 4.4623 4.4623 4.4624 4.4624 6.3150 6.3150 6.3241 6.3241 6.3804 6.3804 6.4065 6.4065 9.0764 9.0764 9.1095 9.1095 9.4665 9.4665 9.4773 9.4773 10.2067 10.2067 10.2339 10.2339 10.6482 10.6482 10.6917 10.6917 11.5286 11.5286 11.5617 11.5617 k = 0.1613 0.2794 0.3019 ( 2046 PWs) bands (ev): -3.7070 -3.7070 -3.7058 -3.7058 4.5107 4.5107 4.5109 4.5109 6.3368 6.3368 6.3530 6.3530 6.4057 6.4057 6.4385 6.4385 9.0808 9.0808 9.1156 9.1156 9.4518 9.4518 9.4647 9.4647 10.2058 10.2058 10.2341 10.2341 10.6529 10.6529 10.6991 10.6991 11.5148 11.5148 11.5493 11.5493 k = 0.1559 0.2701 0.3019 ( 2046 PWs) bands (ev): -3.7422 -3.7422 -3.7411 -3.7411 4.5596 4.5596 4.5599 4.5599 6.3539 6.3539 6.3716 6.3716 6.4397 6.4397 6.4735 6.4735 9.0864 9.0864 9.1229 9.1229 9.4382 9.4382 9.4532 9.4532 10.2014 10.2014 10.2305 10.2305 10.6598 10.6598 10.7084 10.7084 11.5036 11.5036 11.5392 11.5392 k = 0.1505 0.2607 0.3019 ( 2058 PWs) bands (ev): -3.7771 -3.7771 -3.7761 -3.7761 4.6086 4.6086 4.6090 4.6090 6.3689 6.3689 6.3859 6.3859 6.4766 6.4766 6.5093 6.5093 9.0930 9.0930 9.1311 9.1311 9.4259 9.4259 9.4430 9.4430 10.1934 10.1934 10.2229 10.2229 10.6696 10.6696 10.7199 10.7199 11.4947 11.4947 11.5314 11.5314 k = 0.1452 0.2514 0.3019 ( 2050 PWs) bands (ev): -3.8116 -3.8116 -3.8107 -3.8107 4.6575 4.6575 4.6580 4.6580 6.3832 6.3832 6.3993 6.3993 6.5134 6.5134 6.5445 6.5445 9.1008 9.1008 9.1403 9.1403 9.4149 9.4149 9.4340 9.4340 10.1819 10.1819 10.2113 10.2113 10.6829 10.6829 10.7342 10.7342 11.4883 11.4883 11.5258 11.5258 k = 0.1398 0.2421 0.3019 ( 2042 PWs) bands (ev): -3.8455 -3.8455 -3.8447 -3.8447 4.7059 4.7059 4.7064 4.7064 6.3976 6.3976 6.4128 6.4128 6.5489 6.5489 6.5786 6.5786 9.1094 9.1094 9.1504 9.1504 9.4051 9.4051 9.4262 9.4262 10.1668 10.1668 10.1958 10.1958 10.6995 10.6995 10.7513 10.7513 11.4839 11.4839 11.5220 11.5220 k = 0.1344 0.2328 0.3019 ( 2042 PWs) bands (ev): -3.8789 -3.8789 -3.8782 -3.8782 4.7534 4.7534 4.7540 4.7540 6.4125 6.4125 6.4271 6.4271 6.5827 6.5827 6.6110 6.6110 9.1188 9.1188 9.1611 9.1611 9.3965 9.3965 9.4195 9.4195 10.1484 10.1484 10.1765 10.1765 10.7196 10.7196 10.7713 10.7713 11.4813 11.4813 11.5198 11.5198 k = 0.1290 0.2235 0.3019 ( 2042 PWs) bands (ev): -3.9116 -3.9116 -3.9110 -3.9110 4.7998 4.7998 4.8005 4.8005 6.4284 6.4284 6.4423 6.4423 6.6148 6.6148 6.6418 6.6418 9.1290 9.1290 9.1725 9.1725 9.3891 9.3891 9.4139 9.4139 10.1271 10.1271 10.1539 10.1539 10.7430 10.7430 10.7941 10.7941 11.4803 11.4803 11.5190 11.5190 k = 0.1237 0.2142 0.3019 ( 2046 PWs) bands (ev): -3.9436 -3.9436 -3.9430 -3.9430 4.8448 4.8448 4.8454 4.8454 6.4453 6.4453 6.4588 6.4588 6.6451 6.6451 6.6707 6.6707 9.1399 9.1399 9.1843 9.1843 9.3829 9.3829 9.4093 9.4093 10.1031 10.1031 10.1286 10.1286 10.7695 10.7695 10.8196 10.8196 11.4805 11.4805 11.5192 11.5192 k = 0.1183 0.2049 0.3019 ( 2046 PWs) bands (ev): -3.9747 -3.9747 -3.9742 -3.9742 4.8880 4.8880 4.8886 4.8886 6.4635 6.4635 6.4766 6.4766 6.6735 6.6735 6.6979 6.6979 9.1514 9.1514 9.1965 9.1965 9.3778 9.3778 9.4056 9.4056 10.0769 10.0769 10.1009 10.1009 10.7990 10.7990 10.8478 10.8478 11.4819 11.4819 11.5203 11.5203 k = 0.1129 0.1956 0.3019 ( 2042 PWs) bands (ev): -4.0049 -4.0049 -4.0044 -4.0044 4.9293 4.9293 4.9299 4.9299 6.4831 6.4831 6.4958 6.4958 6.7002 6.7002 6.7233 6.7233 9.1634 9.1634 9.2089 9.2089 9.3738 9.3738 9.4028 9.4028 10.0489 10.0489 10.0713 10.0713 10.8312 10.8312 10.8785 10.8785 11.4841 11.4841 11.5222 11.5222 k = 0.1075 0.1862 0.3019 ( 2038 PWs) bands (ev): -4.0341 -4.0341 -4.0337 -4.0337 4.9683 4.9683 4.9689 4.9689 6.5041 6.5041 6.5165 6.5165 6.7251 6.7251 6.7470 6.7470 9.1758 9.1758 9.2216 9.2216 9.3708 9.3708 9.4008 9.4008 10.0194 10.0194 10.0402 10.0402 10.8659 10.8659 10.9114 10.9114 11.4871 11.4871 11.5245 11.5245 k = 0.1022 0.1769 0.3019 ( 2032 PWs) bands (ev): -4.0623 -4.0623 -4.0619 -4.0619 5.0050 5.0050 5.0055 5.0055 6.5267 6.5267 6.5387 6.5387 6.7482 6.7482 6.7690 6.7690 9.1886 9.1886 9.2343 9.2343 9.3686 9.3686 9.3994 9.3994 9.9888 9.9888 10.0081 10.0081 10.9029 10.9029 10.9465 10.9465 11.4906 11.4906 11.5273 11.5273 k = 0.0968 0.1676 0.3019 ( 2036 PWs) bands (ev): -4.0893 -4.0893 -4.0891 -4.0891 5.0391 5.0391 5.0395 5.0395 6.5507 6.5507 6.5624 6.5624 6.7697 6.7697 6.7892 6.7892 9.2016 9.2016 9.2470 9.2470 9.3671 9.3671 9.3984 9.3984 9.9574 9.9574 9.9751 9.9751 10.9418 10.9418 10.9835 10.9835 11.4944 11.4944 11.5301 11.5301 k = 0.0914 0.1583 0.3019 ( 2032 PWs) bands (ev): -4.1153 -4.1153 -4.1150 -4.1150 5.0706 5.0706 5.0709 5.0709 6.5760 6.5760 6.5874 6.5874 6.7896 6.7896 6.8079 6.8079 9.2147 9.2147 9.2595 9.2595 9.3663 9.3663 9.3979 9.3979 9.9256 9.9256 9.9418 9.9418 10.9825 10.9825 11.0221 11.0221 11.4985 11.4985 11.5331 11.5331 k = 0.0860 0.1490 0.3019 ( 2032 PWs) bands (ev): -4.1400 -4.1400 -4.1398 -4.1398 5.0993 5.0993 5.0997 5.0997 6.6025 6.6025 6.6136 6.6136 6.8080 6.8080 6.8250 6.8250 9.2280 9.2280 9.2718 9.2718 9.3661 9.3661 9.3977 9.3977 9.8937 9.8937 9.9083 9.9083 11.0246 11.0246 11.0622 11.0622 11.5027 11.5027 11.5360 11.5360 k = 0.0806 0.1397 0.3019 ( 2028 PWs) bands (ev): -4.1634 -4.1634 -4.1633 -4.1633 5.1255 5.1255 5.1258 5.1258 6.6301 6.6301 6.6407 6.6407 6.8248 6.8248 6.8407 6.8407 9.2413 9.2413 9.2839 9.2839 9.3663 9.3663 9.3977 9.3977 9.8620 9.8620 9.8750 9.8750 11.0680 11.0680 11.1033 11.1033 11.5069 11.5069 11.5388 11.5388 k = 0.0753 0.1304 0.3019 ( 2026 PWs) bands (ev): -4.1856 -4.1856 -4.1855 -4.1855 5.1490 5.1490 5.1492 5.1492 6.6584 6.6584 6.6686 6.6686 6.8403 6.8403 6.8549 6.8549 9.2544 9.2544 9.2954 9.2954 9.3669 9.3669 9.3978 9.3978 9.8308 9.8308 9.8424 9.8424 11.1121 11.1121 11.1453 11.1453 11.5111 11.5111 11.5415 11.5415 k = 0.0699 0.1211 0.3019 ( 2030 PWs) bands (ev): -4.2064 -4.2064 -4.2063 -4.2063 5.1700 5.1700 5.1702 5.1702 6.6871 6.6871 6.6969 6.6969 6.8543 6.8543 6.8678 6.8678 9.2674 9.2674 9.3065 9.3065 9.3676 9.3676 9.3978 9.3978 9.8003 9.8003 9.8104 9.8104 11.1567 11.1567 11.1876 11.1876 11.5152 11.5152 11.5439 11.5439 k = 0.0645 0.1117 0.3019 ( 2030 PWs) bands (ev): -4.2258 -4.2258 -4.2257 -4.2257 5.1886 5.1886 5.1887 5.1887 6.7159 6.7159 6.7252 6.7252 6.8671 6.8671 6.8795 6.8795 9.2801 9.2801 9.3171 9.3171 9.3686 9.3686 9.3978 9.3978 9.7708 9.7708 9.7795 9.7795 11.2014 11.2014 11.2300 11.2300 11.5192 11.5192 11.5461 11.5461 k = 0.0591 0.1024 0.3019 ( 2030 PWs) bands (ev): -4.2438 -4.2438 -4.2438 -4.2438 5.2049 5.2049 5.2050 5.2050 6.7444 6.7444 6.7532 6.7532 6.8787 6.8787 6.8900 6.8900 9.2923 9.2923 9.3269 9.3269 9.3696 9.3696 9.3976 9.3976 9.7427 9.7427 9.7500 9.7500 11.2456 11.2456 11.2719 11.2719 11.5229 11.5229 11.5479 11.5479 k = 0.0538 0.0931 0.3019 ( 2030 PWs) bands (ev): -4.2604 -4.2604 -4.2603 -4.2603 5.2191 5.2191 5.2191 5.2191 6.7723 6.7723 6.7805 6.7805 6.8892 6.8892 6.8992 6.8992 9.3041 9.3041 9.3361 9.3361 9.3706 9.3706 9.3971 9.3971 9.7162 9.7162 9.7221 9.7221 11.2890 11.2890 11.3130 11.3130 11.5265 11.5265 11.5495 11.5495 k = 0.0484 0.0838 0.3019 ( 2026 PWs) bands (ev): -4.2754 -4.2754 -4.2754 -4.2754 5.2313 5.2313 5.2314 5.2314 6.7991 6.7991 6.8066 6.8066 6.8986 6.8986 6.9075 6.9075 9.3153 9.3153 9.3443 9.3443 9.3717 9.3717 9.3963 9.3963 9.6915 9.6915 9.6962 9.6962 11.3309 11.3309 11.3526 11.3526 11.5299 11.5299 11.5509 11.5509 k = 0.0430 0.0745 0.3019 ( 2022 PWs) bands (ev): -4.2890 -4.2890 -4.2889 -4.2889 5.2418 5.2418 5.2418 5.2418 6.8244 6.8244 6.8311 6.8311 6.9070 6.9070 6.9148 6.9148 9.3258 9.3258 9.3515 9.3515 9.3729 9.3729 9.3952 9.3952 9.6690 9.6690 9.6725 9.6725 11.3708 11.3708 11.3901 11.3901 11.5331 11.5331 11.5519 11.5519 k = 0.0376 0.0652 0.3019 ( 2018 PWs) bands (ev): -4.3009 -4.3009 -4.3009 -4.3009 5.2506 5.2506 5.2506 5.2506 6.8477 6.8477 6.8536 6.8536 6.9146 6.9146 6.9212 6.9212 9.3356 9.3356 9.3576 9.3576 9.3741 9.3741 9.3937 9.3937 9.6487 9.6487 9.6512 9.6512 11.4081 11.4081 11.4250 11.4250 11.5360 11.5360 11.5526 11.5526 k = 0.0323 0.0559 0.3019 ( 2026 PWs) bands (ev): -4.3114 -4.3114 -4.3114 -4.3114 5.2579 5.2579 5.2579 5.2579 6.8686 6.8686 6.8736 6.8736 6.9213 6.9213 6.9268 6.9268 9.3444 9.3444 9.3624 9.3624 9.3754 9.3754 9.3918 9.3918 9.6309 9.6309 9.6325 9.6325 11.4422 11.4422 11.4567 11.4567 11.5387 11.5387 11.5530 11.5530 k = 0.0269 0.0466 0.3019 ( 2026 PWs) bands (ev): -4.3203 -4.3203 -4.3203 -4.3203 5.2638 5.2638 5.2638 5.2638 6.8867 6.8867 6.8906 6.8906 6.9275 6.9275 6.9316 6.9316 9.3523 9.3523 9.3659 9.3659 9.3769 9.3769 9.3896 9.3896 9.6157 9.6157 9.6167 9.6167 11.4724 11.4724 11.4845 11.4845 11.5412 11.5412 11.5531 11.5531 k = 0.0215 0.0372 0.3019 ( 2034 PWs) bands (ev): -4.3275 -4.3275 -4.3275 -4.3275 5.2685 5.2685 5.2685 5.2685 6.9016 6.9016 6.9042 6.9042 6.9332 6.9332 6.9360 6.9360 9.3591 9.3591 9.3684 9.3684 9.3783 9.3783 9.3871 9.3871 9.6032 9.6032 9.6037 9.6037 11.4983 11.4983 11.5078 11.5078 11.5435 11.5435 11.5530 11.5530 k = 0.0161 0.0279 0.3019 ( 2030 PWs) bands (ev): -4.3332 -4.3332 -4.3332 -4.3332 5.2721 5.2721 5.2721 5.2721 6.9128 6.9128 6.9142 6.9142 6.9386 6.9386 6.9401 6.9401 9.3650 9.3650 9.3702 9.3702 9.3795 9.3795 9.3846 9.3846 9.5935 9.5935 9.5937 9.5937 11.5192 11.5192 11.5262 11.5262 11.5458 11.5458 11.5527 11.5527 k = 0.0108 0.0186 0.3019 ( 2034 PWs) bands (ev): -4.3373 -4.3373 -4.3373 -4.3373 5.2746 5.2746 5.2746 5.2746 6.9201 6.9201 6.9206 6.9206 6.9433 6.9433 6.9438 6.9438 9.3695 9.3695 9.3718 9.3718 9.3800 9.3800 9.3821 9.3821 9.5866 9.5866 9.5866 9.5866 11.5347 11.5347 11.5388 11.5388 11.5482 11.5482 11.5523 11.5523 k = 0.0054 0.0093 0.3019 ( 2046 PWs) bands (ev): -4.3397 -4.3397 -4.3397 -4.3397 5.2761 5.2761 5.2761 5.2761 6.9240 6.9240 6.9240 6.9240 6.9464 6.9464 6.9465 6.9465 9.3726 9.3726 9.3730 9.3730 9.3797 9.3797 9.3801 9.3801 9.5824 9.5824 9.5824 9.5824 11.5439 11.5439 11.5449 11.5449 11.5512 11.5512 11.5521 11.5521 k = 0.0000 0.0000 0.3019 ( 2052 PWs) bands (ev): -4.3405 -4.3405 -4.3405 -4.3405 5.2765 5.2765 5.2765 5.2765 6.9252 6.9252 6.9252 6.9252 6.9475 6.9475 6.9475 6.9475 9.3737 9.3737 9.3737 9.3737 9.3793 9.3793 9.3793 9.3793 9.5809 9.5809 9.5809 9.5809 11.5466 11.5466 11.5466 11.5466 11.5525 11.5525 11.5525 11.5525 k = 0.5000 0.2887 0.3019 ( 2060 PWs) bands (ev): -3.1534 -3.1534 -3.1534 -3.1534 3.4149 3.4149 3.4149 3.4149 6.1945 6.1945 6.1945 6.1945 6.4275 6.4275 6.4275 6.4275 8.8516 8.8516 8.8516 8.8516 10.0294 10.0294 10.0294 10.0294 10.1255 10.1255 10.1255 10.1255 10.9165 10.9165 10.9165 10.9165 11.6936 11.6936 11.6936 11.6936 k = 0.5000 0.2887 0.2912 ( 2060 PWs) bands (ev): -3.1581 -3.1581 -3.1488 -3.1488 3.3829 3.3829 3.4490 3.4490 6.1789 6.1789 6.2077 6.2077 6.4037 6.4037 6.4517 6.4517 8.8076 8.8076 8.8946 8.8946 10.0239 10.0239 10.0348 10.0348 10.1185 10.1185 10.1326 10.1326 10.8438 10.8438 10.9904 10.9904 11.6418 11.6418 11.7444 11.7444 k = 0.5000 0.2887 0.2804 ( 2064 PWs) bands (ev): -3.1629 -3.1629 -3.1443 -3.1443 3.3532 3.3532 3.4854 3.4854 6.1610 6.1610 6.2182 6.2182 6.3803 6.3803 6.4763 6.4763 8.7631 8.7631 8.9365 8.9365 10.0184 10.0184 10.0399 10.0399 10.1115 10.1115 10.1398 10.1398 10.7725 10.7725 11.0655 11.0655 11.5897 11.5897 11.7936 11.7936 k = 0.5000 0.2887 0.2696 ( 2064 PWs) bands (ev): -3.1678 -3.1678 -3.1400 -3.1400 3.3257 3.3257 3.5240 3.5240 6.1411 6.1411 6.2257 6.2257 6.3575 6.3575 6.5012 6.5012 8.7181 8.7181 8.9772 8.9772 10.0128 10.0128 10.0448 10.0448 10.1048 10.1048 10.1472 10.1472 10.7029 10.7029 11.1415 11.1415 11.5378 11.5378 11.8404 11.8404 k = 0.5000 0.2887 0.2588 ( 2054 PWs) bands (ev): -3.1728 -3.1728 -3.1358 -3.1358 3.3004 3.3004 3.5648 3.5648 6.1194 6.1194 6.2302 6.2302 6.3354 6.3354 6.5264 6.5264 8.6730 8.6730 9.0165 9.0165 10.0073 10.0073 10.0494 10.0494 10.0983 10.0983 10.1548 10.1548 10.6350 10.6350 11.2184 11.2184 11.4866 11.4866 11.8840 11.8840 k = 0.5000 0.2887 0.2480 ( 2054 PWs) bands (ev): -3.1777 -3.1777 -3.1318 -3.1318 3.2773 3.2773 3.6078 3.6078 6.0962 6.0962 6.2314 6.2314 6.3140 6.3140 6.5517 6.5517 8.6278 8.6278 9.0540 9.0540 10.0016 10.0016 10.0535 10.0535 10.0917 10.0917 10.1625 10.1625 10.5691 10.5691 11.2959 11.2959 11.4364 11.4364 11.9235 11.9235 k = 0.5000 0.2887 0.2372 ( 2054 PWs) bands (ev): -3.1827 -3.1827 -3.1279 -3.1279 3.2562 3.2562 3.6529 3.6529 6.0716 6.0716 6.2290 6.2290 6.2933 6.2933 6.5771 6.5771 8.5828 8.5828 9.0897 9.0897 9.9960 9.9960 10.0569 10.0569 10.0854 10.0854 10.1704 10.1704 10.5055 10.5055 11.3709 11.3709 11.3904 11.3904 11.9581 11.9581 k = 0.5000 0.2887 0.2265 ( 2054 PWs) bands (ev): -3.1877 -3.1877 -3.1243 -3.1243 3.2372 3.2372 3.7000 3.7000 6.0459 6.0459 6.2231 6.2231 6.2734 6.2734 6.6025 6.6025 8.5382 8.5382 9.1234 9.1234 9.9905 9.9905 10.0592 10.0592 10.0793 10.0793 10.1786 10.1786 10.4444 10.4444 11.3385 11.3385 11.4536 11.4536 11.9872 11.9872 k = 0.5000 0.2887 0.2157 ( 2054 PWs) bands (ev): -3.1926 -3.1926 -3.1208 -3.1208 3.2202 3.2202 3.7490 3.7490 6.0194 6.0194 6.2135 6.2135 6.2543 6.2543 6.6278 6.6278 8.4941 8.4941 9.1549 9.1549 9.9850 9.9850 10.0601 10.0601 10.0736 10.0736 10.1870 10.1870 10.3865 10.3865 11.2927 11.2927 11.5321 11.5321 12.0103 12.0103 k = 0.5000 0.2887 0.2049 ( 2054 PWs) bands (ev): -3.1975 -3.1975 -3.1175 -3.1175 3.2050 3.2050 3.8000 3.8000 5.9923 5.9923 6.2003 6.2003 6.2357 6.2357 6.6530 6.6530 8.4509 8.4509 9.1842 9.1842 9.9795 9.9795 10.0590 10.0590 10.0680 10.0680 10.1955 10.1955 10.3325 10.3325 11.2485 11.2485 11.6107 11.6107 12.0275 12.0275 k = 0.5000 0.2887 0.1941 ( 2058 PWs) bands (ev): -3.2023 -3.2023 -3.1144 -3.1144 3.1917 3.1917 3.8527 3.8527 5.9647 5.9647 6.1839 6.1839 6.2175 6.2175 6.6779 6.6779 8.4087 8.4087 9.2111 9.2111 9.9741 9.9741 10.0556 10.0556 10.0617 10.0617 10.2042 10.2042 10.2838 10.2838 11.2062 11.2062 11.6891 11.6891 12.0392 12.0392 k = 0.5000 0.2887 0.1833 ( 2058 PWs) bands (ev): -3.2070 -3.2070 -3.1115 -3.1115 3.1801 3.1801 3.9071 3.9071 5.9370 5.9370 6.1642 6.1642 6.1997 6.1997 6.7025 6.7025 8.3676 8.3676 9.2357 9.2357 9.9686 9.9686 10.0493 10.0493 10.0539 10.0539 10.2121 10.2121 10.2429 10.2429 11.1660 11.1660 11.7670 11.7670 12.0459 12.0459 k = 0.5000 0.2887 0.1725 ( 2062 PWs) bands (ev): -3.2116 -3.2116 -3.1088 -3.1088 3.1701 3.1701 3.9630 3.9630 5.9093 5.9093 6.1411 6.1411 6.1825 6.1825 6.7266 6.7266 8.3279 8.3279 9.2580 9.2580 9.9629 9.9629 10.0347 10.0347 10.0476 10.0476 10.2057 10.2057 10.2257 10.2257 11.1279 11.1279 11.8439 11.8439 12.0488 12.0488 k = 0.5000 0.2887 0.1618 ( 2054 PWs) bands (ev): -3.2161 -3.2161 -3.1063 -3.1063 3.1617 3.1617 4.0203 4.0203 5.8819 5.8819 6.1145 6.1145 6.1663 6.1663 6.7502 6.7502 8.2897 8.2897 9.2780 9.2780 9.9566 9.9566 10.0121 10.0121 10.0425 10.0425 10.1850 10.1850 10.2335 10.2335 11.0921 11.0921 11.9195 11.9195 12.0490 12.0490 k = 0.5000 0.2887 0.1510 ( 2054 PWs) bands (ev): -3.2203 -3.2203 -3.1040 -3.1040 3.1546 3.1546 4.0788 4.0788 5.8550 5.8550 6.0843 6.0843 6.1510 6.1510 6.7730 6.7730 8.2532 8.2532 9.2958 9.2958 9.9474 9.9474 9.9859 9.9859 10.0376 10.0376 10.1718 10.1718 10.2426 10.2426 11.0584 11.0584 11.9919 11.9919 12.0487 12.0487 k = 0.5000 0.2887 0.1402 ( 2044 PWs) bands (ev): -3.2244 -3.2244 -3.1019 -3.1019 3.1488 3.1488 4.1382 4.1382 5.8289 5.8289 6.0507 6.0507 6.1370 6.1370 6.7951 6.7951 8.2186 8.2186 9.3115 9.3115 9.9288 9.9288 9.9656 9.9656 10.0331 10.0331 10.1645 10.1645 10.2519 10.2519 11.0272 11.0272 12.0344 12.0344 12.0753 12.0753 k = 0.5000 0.2887 0.1294 ( 2054 PWs) bands (ev): -3.2283 -3.2283 -3.0999 -3.0999 3.1441 3.1441 4.1983 4.1983 5.8036 5.8036 6.0139 6.0139 6.1237 6.1237 6.8162 6.8162 8.1859 8.1859 9.3251 9.3251 9.8988 9.8988 9.9555 9.9555 10.0287 10.0287 10.1607 10.1607 10.2610 10.2610 10.9982 10.9982 12.0340 12.0340 12.1418 12.1418 k = 0.5000 0.2887 0.1186 ( 2054 PWs) bands (ev): -3.2319 -3.2319 -3.0982 -3.0982 3.1405 3.1405 4.2588 4.2588 5.7794 5.7794 5.9745 5.9745 6.1117 6.1117 6.8363 6.8363 8.1553 8.1553 9.3369 9.3369 9.8655 9.8655 9.9496 9.9496 10.0247 10.0247 10.1592 10.1592 10.2699 10.2699 10.9715 10.9715 12.0302 12.0302 12.2090 12.2090 k = 0.5000 0.2887 0.1078 ( 2050 PWs) bands (ev): -3.2353 -3.2353 -3.0966 -3.0966 3.1377 3.1377 4.3193 4.3193 5.7566 5.7566 5.9329 5.9329 6.1007 6.1007 6.8552 6.8552 8.1270 8.1270 9.3471 9.3471 9.8324 9.8324 9.9452 9.9452 10.0209 10.0209 10.1588 10.1588 10.2785 10.2785 10.9472 10.9472 12.0261 12.0261 12.2736 12.2736 k = 0.5000 0.2887 0.0971 ( 2050 PWs) bands (ev): -3.2384 -3.2384 -3.0952 -3.0952 3.1357 3.1357 4.3793 4.3793 5.7353 5.7353 5.8896 5.8896 6.0907 6.0907 6.8728 6.8728 8.1010 8.1010 9.3556 9.3556 9.8011 9.8011 9.9415 9.9415 10.0175 10.0175 10.1592 10.1592 10.2866 10.2866 10.9252 10.9252 12.0223 12.0223 12.3347 12.3347 k = 0.5000 0.2887 0.0863 ( 2058 PWs) bands (ev): -3.2412 -3.2412 -3.0940 -3.0940 3.1343 3.1343 4.4383 4.4383 5.7156 5.7156 5.8452 5.8452 6.0815 6.0815 6.8889 6.8889 8.0774 8.0774 9.3628 9.3628 9.7722 9.7722 9.9383 9.9383 10.0144 10.0144 10.1598 10.1598 10.2940 10.2940 10.9054 10.9054 12.0190 12.0190 12.3916 12.3916 k = 0.5000 0.2887 0.0755 ( 2052 PWs) bands (ev): -3.2438 -3.2438 -3.0929 -3.0929 3.1334 3.1334 4.4957 4.4957 5.6979 5.6979 5.8007 5.8007 6.0736 6.0736 6.9035 6.9035 8.0564 8.0564 9.3688 9.3688 9.7460 9.7460 9.9355 9.9355 10.0116 10.0116 10.1607 10.1607 10.3009 10.3009 10.8882 10.8882 12.0164 12.0164 12.4438 12.4438 k = 0.5000 0.2887 0.0647 ( 2044 PWs) bands (ev): -3.2460 -3.2460 -3.0920 -3.0920 3.1329 3.1329 4.5504 4.5504 5.6821 5.6821 5.7568 5.7568 6.0667 6.0667 6.9164 6.9164 8.0381 8.0381 9.3736 9.3736 9.7232 9.7232 9.9332 9.9332 10.0093 10.0093 10.1617 10.1617 10.3069 10.3069 10.8733 10.8733 12.0143 12.0143 12.4906 12.4906 k = 0.5000 0.2887 0.0539 ( 2046 PWs) bands (ev): -3.2479 -3.2479 -3.0912 -3.0912 3.1327 3.1327 4.6013 4.6013 5.6686 5.6686 5.7148 5.7148 6.0609 6.0609 6.9276 6.9276 8.0224 8.0224 9.3775 9.3775 9.7033 9.7033 9.9312 9.9312 10.0072 10.0072 10.1625 10.1625 10.3122 10.3122 10.8606 10.8606 12.0127 12.0127 12.5315 12.5315 k = 0.5000 0.2887 0.0431 ( 2046 PWs) bands (ev): -3.2495 -3.2495 -3.0906 -3.0906 3.1326 3.1326 4.6470 4.6470 5.6573 5.6573 5.6764 5.6764 6.0561 6.0561 6.9368 6.9368 8.0095 8.0095 9.3805 9.3805 9.6869 9.6869 9.9296 9.9296 10.0055 10.0055 10.1633 10.1633 10.3165 10.3165 10.8503 10.8503 12.0116 12.0116 12.5658 12.5658 k = 0.5000 0.2887 0.0324 ( 2050 PWs) bands (ev): -3.2507 -3.2507 -3.0901 -3.0901 3.1327 3.1327 4.6857 4.6857 5.6432 5.6432 5.6484 5.6484 6.0522 6.0522 6.9441 6.9441 7.9995 7.9995 9.3828 9.3828 9.6740 9.6740 9.9283 9.9283 10.0042 10.0042 10.1639 10.1639 10.3197 10.3197 10.8422 10.8422 12.0108 12.0108 12.5930 12.5930 k = 0.5000 0.2887 0.0216 ( 2054 PWs) bands (ev): -3.2516 -3.2516 -3.0897 -3.0897 3.1328 3.1328 4.7155 4.7155 5.6173 5.6173 5.6420 5.6420 6.0495 6.0495 6.9493 6.9493 7.9923 7.9923 9.3843 9.3843 9.6648 9.6648 9.9273 9.9273 10.0032 10.0032 10.1644 10.1644 10.3221 10.3221 10.8365 10.8365 12.0103 12.0103 12.6128 12.6128 k = 0.5000 0.2887 0.0108 ( 2058 PWs) bands (ev): -3.2521 -3.2521 -3.0895 -3.0895 3.1328 3.1328 4.7343 4.7343 5.6008 5.6008 5.6381 5.6381 6.0479 6.0479 6.9525 6.9525 7.9878 7.9878 9.3851 9.3851 9.6591 9.6591 9.9267 9.9267 10.0026 10.0026 10.1646 10.1646 10.3236 10.3236 10.8330 10.8330 12.0100 12.0100 12.6248 12.6248 k = 0.5000 0.2887-0.0000 ( 2062 PWs) bands (ev): -3.2523 -3.2523 -3.0895 -3.0895 3.1328 3.1328 4.7408 4.7408 5.5951 5.5951 5.6368 5.6368 6.0474 6.0474 6.9536 6.9536 7.9864 7.9864 9.3854 9.3854 9.6573 9.6573 9.9265 9.9265 10.0024 10.0024 10.1647 10.1647 10.3241 10.3241 10.8318 10.8318 12.0099 12.0099 12.6288 12.6288 k = 0.3333 0.5774-0.0000 ( 2067 PWs) bands (ev): -3.0025 -3.0025 -2.9967 -2.9967 3.6368 3.6368 4.6334 4.6334 4.6494 4.6494 5.7793 5.7793 5.7853 5.7853 5.8691 5.8691 9.1808 9.1808 9.6632 9.6632 9.6764 9.6764 9.7668 9.7668 9.8336 9.8336 10.1138 10.1138 10.8640 10.8640 10.9566 10.9566 11.2002 11.2002 11.2506 11.2506 k = 0.3333 0.5774 0.0108 ( 2055 PWs) bands (ev): -3.0025 -3.0025 -2.9967 -2.9967 3.6381 3.6381 4.6319 4.6319 4.6478 4.6478 5.7811 5.7811 5.7870 5.7870 5.8665 5.8665 9.1817 9.1817 9.6607 9.6607 9.6744 9.6744 9.7696 9.7696 9.8359 9.8359 10.1131 10.1131 10.8605 10.8605 10.9514 10.9514 11.2072 11.2072 11.2559 11.2559 k = 0.3333 0.5774 0.0216 ( 2055 PWs) bands (ev): -3.0024 -3.0024 -2.9966 -2.9966 3.6420 3.6420 4.6274 4.6274 4.6430 4.6430 5.7863 5.7863 5.7921 5.7921 5.8588 5.8588 9.1836 9.1836 9.6533 9.6533 9.6681 9.6681 9.7770 9.7770 9.8421 9.8421 10.1110 10.1110 10.8503 10.8503 10.9372 10.9372 11.2267 11.2267 11.2713 11.2713 k = 0.3333 0.5774 0.0324 ( 2055 PWs) bands (ev): -3.0022 -3.0022 -2.9964 -2.9964 3.6486 3.6486 4.6200 4.6200 4.6354 4.6354 5.7948 5.7948 5.8004 5.8004 5.8461 5.8461 9.1869 9.1869 9.6426 9.6426 9.6585 9.6585 9.7876 9.7876 9.8516 9.8516 10.1075 10.1075 10.8349 10.8349 10.9171 10.9171 11.2557 11.2557 11.2954 11.2954 k = 0.3333 0.5774 0.0431 ( 2055 PWs) bands (ev): -3.0020 -3.0020 -2.9962 -2.9962 3.6577 3.6577 4.6099 4.6099 4.6249 4.6249 5.8061 5.8061 5.8117 5.8117 5.8288 5.8288 9.1915 9.1915 9.6298 9.6298 9.6465 9.6465 9.8004 9.8004 9.8636 9.8636 10.1027 10.1027 10.8157 10.8157 10.8938 10.8938 11.2913 11.2913 11.3265 11.3265 k = 0.3333 0.5774 0.0539 ( 2055 PWs) bands (ev): -3.0017 -3.0017 -2.9959 -2.9959 3.6694 3.6694 4.5974 4.5974 4.6119 4.6119 5.8047 5.8047 5.8224 5.8224 5.8257 5.8257 9.1974 9.1974 9.6157 9.6157 9.6327 9.6327 9.8146 9.8146 9.8773 9.8773 10.0964 10.0964 10.7941 10.7941 10.8690 10.8690 11.3317 11.3317 11.3634 11.3634 k = 0.3333 0.5774 0.0647 ( 2055 PWs) bands (ev): -3.0013 -3.0013 -2.9956 -2.9956 3.6837 3.6837 4.5829 4.5829 4.5968 4.5968 5.7782 5.7782 5.8386 5.8386 5.8422 5.8422 9.2045 9.2045 9.6008 9.6008 9.6178 9.6178 9.8297 9.8297 9.8923 9.8923 10.0887 10.0887 10.7710 10.7710 10.8437 10.8437 11.3760 11.3760 11.4049 11.4049 k = 0.3333 0.5774 0.0755 ( 2061 PWs) bands (ev): -3.0009 -3.0009 -2.9952 -2.9952 3.7005 3.7005 4.5665 4.5665 4.5799 4.5799 5.7469 5.7469 5.8576 5.8576 5.8606 5.8606 9.2129 9.2129 9.5853 9.5853 9.6022 9.6022 9.8455 9.8455 9.9083 9.9083 10.0794 10.0794 10.7472 10.7472 10.8183 10.8183 11.4233 11.4233 11.4501 11.4501 k = 0.3333 0.5774 0.0863 ( 2061 PWs) bands (ev): -3.0005 -3.0005 -2.9947 -2.9947 3.7199 3.7199 4.5488 4.5488 4.5616 4.5616 5.7113 5.7113 5.8783 5.8783 5.8808 5.8808 9.2224 9.2224 9.5695 9.5695 9.5861 9.5861 9.8620 9.8620 9.9250 9.9250 10.0689 10.0689 10.7230 10.7230 10.7933 10.7933 11.4733 11.4733 11.4986 11.4986 k = 0.3333 0.5774 0.0971 ( 2061 PWs) bands (ev): -3.0000 -3.0000 -2.9943 -2.9943 3.7418 3.7418 4.5300 4.5300 4.5422 4.5422 5.6719 5.6719 5.9003 5.9003 5.9022 5.9022 9.2331 9.2331 9.5536 9.5536 9.5698 9.5698 9.8789 9.8789 9.9423 9.9423 10.0571 10.0571 10.6988 10.6988 10.7686 10.7686 11.5255 11.5255 11.5497 11.5497 k = 0.3333 0.5774 0.1078 ( 2073 PWs) bands (ev): -2.9995 -2.9995 -2.9937 -2.9937 3.7661 3.7661 4.5104 4.5104 4.5220 4.5220 5.6289 5.6289 5.9233 5.9233 5.9245 5.9245 9.2448 9.2448 9.5375 9.5375 9.5534 9.5534 9.8964 9.8964 9.9602 9.9602 10.0439 10.0439 10.6746 10.6746 10.7444 10.7444 11.5796 11.5796 11.6030 11.6030 k = 0.3333 0.5774 0.1186 ( 2064 PWs) bands (ev): -2.9989 -2.9989 -2.9932 -2.9932 3.7929 3.7929 4.4904 4.4904 4.5014 4.5014 5.5826 5.5826 5.9469 5.9469 5.9476 5.9476 9.2578 9.2578 9.5216 9.5216 9.5373 9.5373 9.9142 9.9142 9.9784 9.9784 10.0297 10.0297 10.6509 10.6509 10.7208 10.7208 11.6357 11.6357 11.6584 11.6584 k = 0.3333 0.5774 0.1294 ( 2058 PWs) bands (ev): -2.9983 -2.9983 -2.9926 -2.9926 3.8222 3.8222 4.4703 4.4703 4.4807 4.4807 5.5334 5.5334 5.9709 5.9709 5.9709 5.9709 9.2716 9.2716 9.5059 9.5059 9.5216 9.5216 9.9323 9.9323 9.9962 9.9962 10.0151 10.0151 10.6274 10.6274 10.6977 10.6977 11.6931 11.6931 11.7153 11.7153 k = 0.3333 0.5774 0.1402 ( 2058 PWs) bands (ev): -2.9977 -2.9977 -2.9920 -2.9920 3.8537 3.8537 4.4502 4.4502 4.4600 4.4600 5.4815 5.4815 5.9942 5.9942 5.9947 5.9947 9.2862 9.2862 9.4905 9.4905 9.5065 9.5065 9.9508 9.9508 9.9956 9.9956 10.0177 10.0177 10.6043 10.6043 10.6749 10.6749 11.7517 11.7517 11.7735 11.7735 k = 0.3333 0.5774 0.1510 ( 2058 PWs) bands (ev): -2.9971 -2.9971 -2.9914 -2.9914 3.8877 3.8877 4.4305 4.4305 4.4398 4.4398 5.4273 5.4273 6.0172 6.0172 6.0183 6.0183 9.3014 9.3014 9.4755 9.4755 9.4923 9.4923 9.9696 9.9696 9.9781 9.9781 10.0364 10.0364 10.5814 10.5814 10.6526 10.6526 11.8111 11.8111 11.8325 11.8325 k = 0.3333 0.5774 0.1618 ( 2058 PWs) bands (ev): -2.9965 -2.9965 -2.9908 -2.9908 3.9239 3.9239 4.4113 4.4113 4.4201 4.4201 5.3710 5.3710 6.0397 6.0397 6.0413 6.0413 9.3168 9.3168 9.4608 9.4608 9.4792 9.4792 9.9589 9.9589 9.9886 9.9886 10.0558 10.0558 10.5590 10.5590 10.6308 10.6308 11.8710 11.8710 11.8919 11.8919 k = 0.3333 0.5774 0.1725 ( 2064 PWs) bands (ev): -2.9959 -2.9959 -2.9902 -2.9902 3.9623 3.9623 4.3928 4.3928 4.4012 4.4012 5.3129 5.3129 6.0614 6.0614 6.0635 6.0635 9.3321 9.3321 9.4469 9.4469 9.4682 9.4682 9.9385 9.9385 10.0080 10.0080 10.0755 10.0755 10.5366 10.5366 10.6090 10.6090 11.9308 11.9308 11.9513 11.9513 k = 0.3333 0.5774 0.1833 ( 2067 PWs) bands (ev): -2.9953 -2.9953 -2.9897 -2.9897 4.0029 4.0029 4.3753 4.3753 4.3832 4.3832 5.2534 5.2534 6.0821 6.0821 6.0847 6.0847 9.3461 9.3461 9.4337 9.4337 9.4600 9.4600 9.9171 9.9171 10.0275 10.0275 10.0954 10.0954 10.5146 10.5146 10.5877 10.5877 11.9901 11.9901 12.0102 12.0102 k = 0.3333 0.5774 0.1941 ( 2067 PWs) bands (ev): -2.9948 -2.9948 -2.9891 -2.9891 4.0456 4.0456 4.3588 4.3588 4.3663 4.3663 5.1928 5.1928 6.1017 6.1017 6.1047 6.1047 9.3575 9.3575 9.4213 9.4213 9.4562 9.4562 9.8948 9.8948 10.0472 10.0472 10.1155 10.1155 10.4930 10.4930 10.5667 10.5667 12.0484 12.0484 12.0679 12.0679 k = 0.3333 0.5774 0.2049 ( 2067 PWs) bands (ev): -2.9942 -2.9942 -2.9886 -2.9886 4.0903 4.0903 4.3435 4.3435 4.3507 4.3507 5.1312 5.1312 6.1199 6.1199 6.1233 6.1233 9.3645 9.3645 9.4097 9.4097 9.4586 9.4586 9.8718 9.8718 10.0671 10.0671 10.1356 10.1356 10.4716 10.4716 10.5459 10.5459 12.1048 12.1048 12.1239 12.1239 k = 0.3333 0.5774 0.2157 ( 2067 PWs) bands (ev): -2.9938 -2.9938 -2.9881 -2.9881 4.1370 4.1370 4.3295 4.3295 4.3364 4.3364 5.0689 5.0689 6.1366 6.1366 6.1403 6.1403 9.3664 9.3664 9.3991 9.3991 9.4679 9.4679 9.8480 9.8480 10.0869 10.0869 10.1556 10.1556 10.4505 10.4505 10.5255 10.5255 12.1589 12.1589 12.1774 12.1774 k = 0.3333 0.5774 0.2265 ( 2073 PWs) bands (ev): -2.9933 -2.9933 -2.9877 -2.9877 4.1856 4.1856 4.3169 4.3169 4.3235 4.3235 5.0062 5.0062 6.1516 6.1516 6.1556 6.1556 9.3645 9.3645 9.3895 9.3895 9.4828 9.4828 9.8238 9.8238 10.1067 10.1067 10.1754 10.1754 10.4296 10.4296 10.5054 10.5054 12.2095 12.2095 12.2275 12.2275 k = 0.3333 0.5774 0.2372 ( 2073 PWs) bands (ev): -2.9929 -2.9929 -2.9873 -2.9873 4.2360 4.2360 4.3059 4.3059 4.3122 4.3122 4.9433 4.9433 6.1650 6.1650 6.1692 6.1692 9.3607 9.3607 9.3811 9.3811 9.5014 9.5014 9.7989 9.7989 10.1263 10.1263 10.1949 10.1949 10.4093 10.4093 10.4858 10.4858 12.2561 12.2561 12.2735 12.2735 k = 0.3333 0.5774 0.2480 ( 2073 PWs) bands (ev): -2.9925 -2.9925 -2.9869 -2.9869 4.2878 4.2878 4.2964 4.2964 4.3027 4.3027 4.8804 4.8804 6.1764 6.1764 6.1809 6.1809 9.3562 9.3562 9.3739 9.3739 9.5225 9.5225 9.7736 9.7736 10.1455 10.1455 10.2139 10.2139 10.3896 10.3896 10.4669 10.4669 12.2977 12.2977 12.3145 12.3145 k = 0.3333 0.5774 0.2588 ( 2067 PWs) bands (ev): -2.9922 -2.9922 -2.9866 -2.9866 4.2885 4.2885 4.2944 4.2944 4.3419 4.3419 4.8177 4.8177 6.1859 6.1859 6.1906 6.1906 9.3520 9.3520 9.3679 9.3679 9.5451 9.5451 9.7480 9.7480 10.1641 10.1641 10.2320 10.2320 10.3707 10.3707 10.4490 10.4490 12.3333 12.3333 12.3496 12.3496 k = 0.3333 0.5774 0.2696 ( 2061 PWs) bands (ev): -2.9920 -2.9920 -2.9864 -2.9864 4.2824 4.2824 4.2882 4.2882 4.3969 4.3969 4.7556 4.7556 6.1934 6.1934 6.1982 6.1982 9.3484 9.3484 9.3632 9.3632 9.5689 9.5689 9.7224 9.7224 10.1813 10.1813 10.2485 10.2485 10.3533 10.3533 10.4327 10.4327 12.3621 12.3621 12.3780 12.3780 k = 0.3333 0.5774 0.2804 ( 2061 PWs) bands (ev): -2.9918 -2.9918 -2.9862 -2.9862 4.2780 4.2780 4.2837 4.2837 4.4532 4.4532 4.6941 4.6941 6.1988 6.1988 6.2038 6.2038 9.3457 9.3457 9.3599 9.3599 9.5933 9.5933 9.6963 9.6963 10.1962 10.1962 10.2624 10.2624 10.3383 10.3383 10.4189 10.4189 12.3833 12.3833 12.3988 12.3988 k = 0.3333 0.5774 0.2912 ( 2064 PWs) bands (ev): -2.9917 -2.9917 -2.9861 -2.9861 4.2753 4.2753 4.2809 4.2809 4.5101 4.5101 4.6342 4.6342 6.2021 6.2021 6.2071 6.2071 9.3440 9.3440 9.3578 9.3578 9.6179 9.6179 9.6708 9.6708 10.2068 10.2068 10.2720 10.2720 10.3276 10.3276 10.4093 10.4093 12.3962 12.3962 12.4116 12.4116 k = 0.3333 0.5774 0.3019 ( 2064 PWs) bands (ev): -2.9917 -2.9917 -2.9861 -2.9861 4.2744 4.2744 4.2800 4.2800 4.5546 4.5546 4.5887 4.5887 6.2031 6.2031 6.2081 6.2081 9.3434 9.3434 9.3571 9.3571 9.6378 9.6378 9.6506 9.6506 10.2109 10.2109 10.2756 10.2756 10.3236 10.3236 10.4059 10.4059 12.4006 12.4006 12.4159 12.4159 Writing output data file FeS.save init_run : 0.20s CPU 0.33s WALL ( 1 calls) electrons : 69.16s CPU 70.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 69.15s CPU 70.77s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 385 calls) cegterg : 61.30s CPU 62.44s WALL ( 385 calls) Called by sum_band: Called by *egterg: h_psi : 35.52s CPU 36.58s WALL ( 5390 calls) s_psi : 3.11s CPU 3.15s WALL ( 5390 calls) g_psi : 0.10s CPU 0.09s WALL ( 4620 calls) cdiaghg : 22.76s CPU 23.13s WALL ( 5005 calls) cegterg:over : 2.17s CPU 2.15s WALL ( 4620 calls) cegterg:upda : 1.32s CPU 1.39s WALL ( 4620 calls) cegterg:last : 0.84s CPU 0.90s WALL ( 1155 calls) cdiaghg:chol : 1.13s CPU 1.21s WALL ( 5005 calls) cdiaghg:inve : 0.62s CPU 0.68s WALL ( 5005 calls) cdiaghg:para : 1.24s CPU 1.31s WALL ( 10010 calls) Called by h_psi: h_psi:vloc : 28.96s CPU 30.00s WALL ( 5390 calls) h_psi:vnl : 6.49s CPU 6.53s WALL ( 5390 calls) add_vuspsi : 3.66s CPU 3.70s WALL ( 5390 calls) General routines calbec : 2.82s CPU 2.82s WALL ( 5390 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.37s CPU 28.46s WALL ( 587596 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.17s WALL ( 770 calls) Parallel routines fft_scatter : 12.30s CPU 12.76s WALL ( 587619 calls) PWSCF : 1m19.49s CPU 1m30.14s WALL This run was terminated on: 18:25:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=