Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:39 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: ./NiS.save/ file Ni.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 13 4 625 369 62 Max 20 14 5 633 386 67 Sum 685 499 151 22657 13631 2333 bravais-lattice index = 14 lattice parameter (alat) = 6.4997 a.u. unit-cell volume = 369.9859 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.499713 celldm(2)= 1.000000 celldm(3)= 1.555866 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 1.555866 ) 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 0.642729 ) 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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) Ni 10.00 58.69340 Ni( 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 ) ( -0.7779328 ) 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 ) ( 0.7779328 ) 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 ) ( -0.7779328 ) 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 ) ( -0.7779328 ) 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 ) ( 0.7779328 ) 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 ) ( 0.7779328 ) 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 ) ( 0.7779328 ) 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 ) ( -0.7779328 ) 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 ) ( 0.7779328 ) 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 ) ( 0.7779328 ) 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 ) ( -0.7779328 ) 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 ) ( -0.7779328 ) 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= 389 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0025707 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0025707 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0025707 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0025707 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0025707 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0025707 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0025707 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0025707 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0025707 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0025707 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0025707 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0025707 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0025707 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0025707 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0025707 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0025707 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0025707 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0025707 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0025707 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0025707 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0025707 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0025707 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0025707 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0025707 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0025707 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0025707 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0025707 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0025707 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0025707 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0025707 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0025707 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0025707 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0025707 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0025707 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0025707 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0025707 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0025707 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0025707 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0025707 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0025707 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0025707 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0025707 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0025707 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0025707 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0025707 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0025707 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0025707 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0025707 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0025707 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0025707 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0025707 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0025707 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025707 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025707 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0025707 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0025707 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0025707 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0025707 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0025707 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0025707 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0025707 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0025707 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0025707 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0025707 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0025707 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0025707 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0025707 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0025707 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0025707 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0025707 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0025707 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0025707 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0025707 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0025707 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0025707 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0025707 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0025707 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0025707 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0025707 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0025707 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0025707 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0025707 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0025707 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0025707 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025707 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025707 k( 88) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0025707 k( 89) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0025707 k( 90) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0025707 k( 91) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0025707 k( 92) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0025707 k( 93) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0025707 k( 94) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0025707 k( 95) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0025707 k( 96) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0025707 k( 97) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0025707 k( 98) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0025707 k( 99) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0025707 k( 100) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0025707 k( 101) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0025707 k( 102) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0025707 k( 103) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0025707 k( 104) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0025707 k( 105) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0025707 k( 106) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0025707 k( 107) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0025707 k( 108) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0025707 k( 109) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0025707 k( 110) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0025707 k( 111) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0025707 k( 112) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0025707 k( 113) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0025707 k( 114) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0025707 k( 115) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0025707 k( 116) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0025707 k( 117) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0025707 k( 118) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0025707 k( 119) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0025707 k( 120) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0025707 k( 121) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0025707 k( 122) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0025707 k( 123) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0025707 k( 124) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0025707 k( 125) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0025707 k( 126) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0025707 k( 127) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0025707 k( 128) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0025707 k( 129) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0025707 k( 130) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0025707 k( 131) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0025707 k( 132) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0025707 k( 133) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0025707 k( 134) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0025707 k( 135) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0025707 k( 136) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0025707 k( 137) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0025707 k( 138) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0025707 k( 139) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0025707 k( 140) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0025707 k( 141) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0025707 k( 142) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0025707 k( 143) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0025707 k( 144) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0025707 k( 145) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0025707 k( 146) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0025707 k( 147) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0025707 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 150) = ( 0.0000000 0.0000000 0.0107122), wk = 0.0025707 k( 151) = ( 0.0000000 0.0000000 0.0214243), wk = 0.0025707 k( 152) = ( 0.0000000 0.0000000 0.0321365), wk = 0.0025707 k( 153) = ( 0.0000000 0.0000000 0.0428486), wk = 0.0025707 k( 154) = ( 0.0000000 0.0000000 0.0535607), wk = 0.0025707 k( 155) = ( 0.0000000 0.0000000 0.0642729), wk = 0.0025707 k( 156) = ( 0.0000000 0.0000000 0.0749851), wk = 0.0025707 k( 157) = ( 0.0000000 0.0000000 0.0856972), wk = 0.0025707 k( 158) = ( 0.0000000 0.0000000 0.0964094), wk = 0.0025707 k( 159) = ( 0.0000000 0.0000000 0.1071215), wk = 0.0025707 k( 160) = ( 0.0000000 0.0000000 0.1178336), wk = 0.0025707 k( 161) = ( 0.0000000 0.0000000 0.1285458), wk = 0.0025707 k( 162) = ( 0.0000000 0.0000000 0.1392580), wk = 0.0025707 k( 163) = ( 0.0000000 0.0000000 0.1499701), wk = 0.0025707 k( 164) = ( 0.0000000 0.0000000 0.1606823), wk = 0.0025707 k( 165) = ( 0.0000000 0.0000000 0.1713944), wk = 0.0025707 k( 166) = ( 0.0000000 0.0000000 0.1821065), wk = 0.0025707 k( 167) = ( 0.0000000 0.0000000 0.1928187), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.2035309), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.2142430), wk = 0.0025707 k( 170) = ( 0.0000000 0.0000000 0.2249552), wk = 0.0025707 k( 171) = ( 0.0000000 0.0000000 0.2356673), wk = 0.0025707 k( 172) = ( 0.0000000 0.0000000 0.2463794), wk = 0.0025707 k( 173) = ( 0.0000000 0.0000000 0.2570916), wk = 0.0025707 k( 174) = ( 0.0000000 0.0000000 0.2678038), wk = 0.0025707 k( 175) = ( 0.0000000 0.0000000 0.2785159), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.2892281), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.2999402), wk = 0.0025707 k( 178) = ( 0.0000000 0.0000000 0.3106524), wk = 0.0025707 k( 179) = ( 0.0000000 0.0000000 0.3213645), wk = 0.0025707 k( 180) = ( 0.0000000 0.0000000 0.3213645), wk = 0.0025707 k( 181) = ( 0.0094340 0.0054467 0.3213645), wk = 0.0025707 k( 182) = ( 0.0188679 0.0108934 0.3213645), wk = 0.0025707 k( 183) = ( 0.0283019 0.0163401 0.3213645), wk = 0.0025707 k( 184) = ( 0.0377359 0.0217868 0.3213645), wk = 0.0025707 k( 185) = ( 0.0471698 0.0272335 0.3213645), wk = 0.0025707 k( 186) = ( 0.0566038 0.0326802 0.3213645), wk = 0.0025707 k( 187) = ( 0.0660377 0.0381269 0.3213645), wk = 0.0025707 k( 188) = ( 0.0754717 0.0435736 0.3213645), wk = 0.0025707 k( 189) = ( 0.0849057 0.0490203 0.3213645), wk = 0.0025707 k( 190) = ( 0.0943396 0.0544670 0.3213645), wk = 0.0025707 k( 191) = ( 0.1037736 0.0599137 0.3213645), wk = 0.0025707 k( 192) = ( 0.1132076 0.0653604 0.3213645), wk = 0.0025707 k( 193) = ( 0.1226415 0.0708071 0.3213645), wk = 0.0025707 k( 194) = ( 0.1320755 0.0762538 0.3213645), wk = 0.0025707 k( 195) = ( 0.1415094 0.0817005 0.3213645), wk = 0.0025707 k( 196) = ( 0.1509434 0.0871472 0.3213645), wk = 0.0025707 k( 197) = ( 0.1603774 0.0925939 0.3213645), wk = 0.0025707 k( 198) = ( 0.1698113 0.0980406 0.3213645), wk = 0.0025707 k( 199) = ( 0.1792453 0.1034873 0.3213645), wk = 0.0025707 k( 200) = ( 0.1886792 0.1089340 0.3213645), wk = 0.0025707 k( 201) = ( 0.1981132 0.1143807 0.3213645), wk = 0.0025707 k( 202) = ( 0.2075472 0.1198274 0.3213645), wk = 0.0025707 k( 203) = ( 0.2169811 0.1252741 0.3213645), wk = 0.0025707 k( 204) = ( 0.2264151 0.1307208 0.3213645), wk = 0.0025707 k( 205) = ( 0.2358491 0.1361675 0.3213645), wk = 0.0025707 k( 206) = ( 0.2452830 0.1416142 0.3213645), wk = 0.0025707 k( 207) = ( 0.2547170 0.1470609 0.3213645), wk = 0.0025707 k( 208) = ( 0.2641509 0.1525076 0.3213645), wk = 0.0025707 k( 209) = ( 0.2735849 0.1579543 0.3213645), wk = 0.0025707 k( 210) = ( 0.2830189 0.1634010 0.3213645), wk = 0.0025707 k( 211) = ( 0.2924528 0.1688477 0.3213645), wk = 0.0025707 k( 212) = ( 0.3018868 0.1742944 0.3213645), wk = 0.0025707 k( 213) = ( 0.3113207 0.1797411 0.3213645), wk = 0.0025707 k( 214) = ( 0.3207547 0.1851878 0.3213645), wk = 0.0025707 k( 215) = ( 0.3301887 0.1906345 0.3213645), wk = 0.0025707 k( 216) = ( 0.3396226 0.1960812 0.3213645), wk = 0.0025707 k( 217) = ( 0.3490566 0.2015279 0.3213645), wk = 0.0025707 k( 218) = ( 0.3584906 0.2069746 0.3213645), wk = 0.0025707 k( 219) = ( 0.3679245 0.2124213 0.3213645), wk = 0.0025707 k( 220) = ( 0.3773585 0.2178680 0.3213645), wk = 0.0025707 k( 221) = ( 0.3867925 0.2233147 0.3213645), wk = 0.0025707 k( 222) = ( 0.3962264 0.2287614 0.3213645), wk = 0.0025707 k( 223) = ( 0.4056604 0.2342081 0.3213645), wk = 0.0025707 k( 224) = ( 0.4150943 0.2396548 0.3213645), wk = 0.0025707 k( 225) = ( 0.4245283 0.2451015 0.3213645), wk = 0.0025707 k( 226) = ( 0.4339623 0.2505482 0.3213645), wk = 0.0025707 k( 227) = ( 0.4433962 0.2559949 0.3213645), wk = 0.0025707 k( 228) = ( 0.4528302 0.2614416 0.3213645), wk = 0.0025707 k( 229) = ( 0.4622641 0.2668883 0.3213645), wk = 0.0025707 k( 230) = ( 0.4716981 0.2723350 0.3213645), wk = 0.0025707 k( 231) = ( 0.4811321 0.2777817 0.3213645), wk = 0.0025707 k( 232) = ( 0.4905660 0.2832284 0.3213645), wk = 0.0025707 k( 233) = ( 0.5000000 0.2886751 0.3213645), wk = 0.0025707 k( 234) = ( 0.5000000 0.2886751 0.3213645), wk = 0.0025707 k( 235) = ( 0.4946237 0.2979872 0.3213645), wk = 0.0025707 k( 236) = ( 0.4892473 0.3072993 0.3213645), wk = 0.0025707 k( 237) = ( 0.4838710 0.3166114 0.3213645), wk = 0.0025707 k( 238) = ( 0.4784946 0.3259235 0.3213645), wk = 0.0025707 k( 239) = ( 0.4731183 0.3352356 0.3213645), wk = 0.0025707 k( 240) = ( 0.4677419 0.3445477 0.3213645), wk = 0.0025707 k( 241) = ( 0.4623656 0.3538598 0.3213645), wk = 0.0025707 k( 242) = ( 0.4569893 0.3631720 0.3213645), wk = 0.0025707 k( 243) = ( 0.4516129 0.3724840 0.3213645), wk = 0.0025707 k( 244) = ( 0.4462366 0.3817961 0.3213645), wk = 0.0025707 k( 245) = ( 0.4408602 0.3911082 0.3213645), wk = 0.0025707 k( 246) = ( 0.4354839 0.4004203 0.3213645), wk = 0.0025707 k( 247) = ( 0.4301075 0.4097325 0.3213645), wk = 0.0025707 k( 248) = ( 0.4247312 0.4190445 0.3213645), wk = 0.0025707 k( 249) = ( 0.4193548 0.4283566 0.3213645), wk = 0.0025707 k( 250) = ( 0.4139785 0.4376687 0.3213645), wk = 0.0025707 k( 251) = ( 0.4086021 0.4469809 0.3213645), wk = 0.0025707 k( 252) = ( 0.4032258 0.4562930 0.3213645), wk = 0.0025707 k( 253) = ( 0.3978495 0.4656051 0.3213645), wk = 0.0025707 k( 254) = ( 0.3924731 0.4749172 0.3213645), wk = 0.0025707 k( 255) = ( 0.3870968 0.4842293 0.3213645), wk = 0.0025707 k( 256) = ( 0.3817204 0.4935414 0.3213645), wk = 0.0025707 k( 257) = ( 0.3763441 0.5028535 0.3213645), wk = 0.0025707 k( 258) = ( 0.3709677 0.5121656 0.3213645), wk = 0.0025707 k( 259) = ( 0.3655914 0.5214777 0.3213645), wk = 0.0025707 k( 260) = ( 0.3602150 0.5307898 0.3213645), wk = 0.0025707 k( 261) = ( 0.3548387 0.5401019 0.3213645), wk = 0.0025707 k( 262) = ( 0.3494624 0.5494140 0.3213645), wk = 0.0025707 k( 263) = ( 0.3440860 0.5587261 0.3213645), wk = 0.0025707 k( 264) = ( 0.3387097 0.5680382 0.3213645), wk = 0.0025707 k( 265) = ( 0.3333333 0.5773503 0.3213645), wk = 0.0025707 k( 266) = ( 0.3333333 0.5773503 0.3213645), wk = 0.0025707 k( 267) = ( 0.3278688 0.5678855 0.3213645), wk = 0.0025707 k( 268) = ( 0.3224044 0.5584207 0.3213645), wk = 0.0025707 k( 269) = ( 0.3169399 0.5489560 0.3213645), wk = 0.0025707 k( 270) = ( 0.3114754 0.5394912 0.3213645), wk = 0.0025707 k( 271) = ( 0.3060109 0.5300265 0.3213645), wk = 0.0025707 k( 272) = ( 0.3005465 0.5205617 0.3213645), wk = 0.0025707 k( 273) = ( 0.2950820 0.5110970 0.3213645), wk = 0.0025707 k( 274) = ( 0.2896175 0.5016322 0.3213645), wk = 0.0025707 k( 275) = ( 0.2841530 0.4921675 0.3213645), wk = 0.0025707 k( 276) = ( 0.2786885 0.4827027 0.3213645), wk = 0.0025707 k( 277) = ( 0.2732240 0.4732379 0.3213645), wk = 0.0025707 k( 278) = ( 0.2677596 0.4637732 0.3213645), wk = 0.0025707 k( 279) = ( 0.2622951 0.4543084 0.3213645), wk = 0.0025707 k( 280) = ( 0.2568306 0.4448436 0.3213645), wk = 0.0025707 k( 281) = ( 0.2513661 0.4353789 0.3213645), wk = 0.0025707 k( 282) = ( 0.2459016 0.4259141 0.3213645), wk = 0.0025707 k( 283) = ( 0.2404372 0.4164494 0.3213645), wk = 0.0025707 k( 284) = ( 0.2349727 0.4069846 0.3213645), wk = 0.0025707 k( 285) = ( 0.2295082 0.3975199 0.3213645), wk = 0.0025707 k( 286) = ( 0.2240437 0.3880551 0.3213645), wk = 0.0025707 k( 287) = ( 0.2185792 0.3785903 0.3213645), wk = 0.0025707 k( 288) = ( 0.2131147 0.3691256 0.3213645), wk = 0.0025707 k( 289) = ( 0.2076503 0.3596608 0.3213645), wk = 0.0025707 k( 290) = ( 0.2021858 0.3501961 0.3213645), wk = 0.0025707 k( 291) = ( 0.1967213 0.3407313 0.3213645), wk = 0.0025707 k( 292) = ( 0.1912568 0.3312665 0.3213645), wk = 0.0025707 k( 293) = ( 0.1857923 0.3218018 0.3213645), wk = 0.0025707 k( 294) = ( 0.1803279 0.3123370 0.3213645), wk = 0.0025707 k( 295) = ( 0.1748634 0.3028723 0.3213645), wk = 0.0025707 k( 296) = ( 0.1693989 0.2934075 0.3213645), wk = 0.0025707 k( 297) = ( 0.1639344 0.2839428 0.3213645), wk = 0.0025707 k( 298) = ( 0.1584699 0.2744780 0.3213645), wk = 0.0025707 k( 299) = ( 0.1530055 0.2650132 0.3213645), wk = 0.0025707 k( 300) = ( 0.1475410 0.2555485 0.3213645), wk = 0.0025707 k( 301) = ( 0.1420765 0.2460837 0.3213645), wk = 0.0025707 k( 302) = ( 0.1366120 0.2366190 0.3213645), wk = 0.0025707 k( 303) = ( 0.1311475 0.2271542 0.3213645), wk = 0.0025707 k( 304) = ( 0.1256831 0.2176894 0.3213645), wk = 0.0025707 k( 305) = ( 0.1202186 0.2082247 0.3213645), wk = 0.0025707 k( 306) = ( 0.1147541 0.1987599 0.3213645), wk = 0.0025707 k( 307) = ( 0.1092896 0.1892952 0.3213645), wk = 0.0025707 k( 308) = ( 0.1038251 0.1798304 0.3213645), wk = 0.0025707 k( 309) = ( 0.0983607 0.1703657 0.3213645), wk = 0.0025707 k( 310) = ( 0.0928962 0.1609009 0.3213645), wk = 0.0025707 k( 311) = ( 0.0874317 0.1514361 0.3213645), wk = 0.0025707 k( 312) = ( 0.0819672 0.1419714 0.3213645), wk = 0.0025707 k( 313) = ( 0.0765027 0.1325066 0.3213645), wk = 0.0025707 k( 314) = ( 0.0710382 0.1230419 0.3213645), wk = 0.0025707 k( 315) = ( 0.0655738 0.1135771 0.3213645), wk = 0.0025707 k( 316) = ( 0.0601093 0.1041123 0.3213645), wk = 0.0025707 k( 317) = ( 0.0546448 0.0946476 0.3213645), wk = 0.0025707 k( 318) = ( 0.0491803 0.0851828 0.3213645), wk = 0.0025707 k( 319) = ( 0.0437159 0.0757181 0.3213645), wk = 0.0025707 k( 320) = ( 0.0382514 0.0662533 0.3213645), wk = 0.0025707 k( 321) = ( 0.0327869 0.0567886 0.3213645), wk = 0.0025707 k( 322) = ( 0.0273224 0.0473238 0.3213645), wk = 0.0025707 k( 323) = ( 0.0218579 0.0378590 0.3213645), wk = 0.0025707 k( 324) = ( 0.0163934 0.0283943 0.3213645), wk = 0.0025707 k( 325) = ( 0.0109290 0.0189295 0.3213645), wk = 0.0025707 k( 326) = ( 0.0054645 0.0094648 0.3213645), wk = 0.0025707 k( 327) = ( 0.0000000 0.0000000 0.3213645), wk = 0.0025707 k( 328) = ( 0.5000000 0.2886751 0.3213645), wk = 0.0025707 k( 329) = ( 0.5000000 0.2886751 0.3106524), wk = 0.0025707 k( 330) = ( 0.5000000 0.2886751 0.2999402), wk = 0.0025707 k( 331) = ( 0.5000000 0.2886751 0.2892281), wk = 0.0025707 k( 332) = ( 0.5000000 0.2886751 0.2785159), wk = 0.0025707 k( 333) = ( 0.5000000 0.2886751 0.2678038), wk = 0.0025707 k( 334) = ( 0.5000000 0.2886751 0.2570916), wk = 0.0025707 k( 335) = ( 0.5000000 0.2886751 0.2463794), wk = 0.0025707 k( 336) = ( 0.5000000 0.2886751 0.2356673), wk = 0.0025707 k( 337) = ( 0.5000000 0.2886751 0.2249552), wk = 0.0025707 k( 338) = ( 0.5000000 0.2886751 0.2142430), wk = 0.0025707 k( 339) = ( 0.5000000 0.2886751 0.2035309), wk = 0.0025707 k( 340) = ( 0.5000000 0.2886751 0.1928187), wk = 0.0025707 k( 341) = ( 0.5000000 0.2886751 0.1821065), wk = 0.0025707 k( 342) = ( 0.5000000 0.2886751 0.1713944), wk = 0.0025707 k( 343) = ( 0.5000000 0.2886751 0.1606823), wk = 0.0025707 k( 344) = ( 0.5000000 0.2886751 0.1499701), wk = 0.0025707 k( 345) = ( 0.5000000 0.2886751 0.1392580), wk = 0.0025707 k( 346) = ( 0.5000000 0.2886751 0.1285458), wk = 0.0025707 k( 347) = ( 0.5000000 0.2886751 0.1178336), wk = 0.0025707 k( 348) = ( 0.5000000 0.2886751 0.1071215), wk = 0.0025707 k( 349) = ( 0.5000000 0.2886751 0.0964094), wk = 0.0025707 k( 350) = ( 0.5000000 0.2886751 0.0856972), wk = 0.0025707 k( 351) = ( 0.5000000 0.2886751 0.0749851), wk = 0.0025707 k( 352) = ( 0.5000000 0.2886751 0.0642729), wk = 0.0025707 k( 353) = ( 0.5000000 0.2886751 0.0535607), wk = 0.0025707 k( 354) = ( 0.5000000 0.2886751 0.0428486), wk = 0.0025707 k( 355) = ( 0.5000000 0.2886751 0.0321365), wk = 0.0025707 k( 356) = ( 0.5000000 0.2886751 0.0214243), wk = 0.0025707 k( 357) = ( 0.5000000 0.2886751 0.0107122), wk = 0.0025707 k( 358) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025707 k( 359) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025707 k( 360) = ( 0.3333333 0.5773503 0.0107122), wk = 0.0025707 k( 361) = ( 0.3333333 0.5773503 0.0214243), wk = 0.0025707 k( 362) = ( 0.3333333 0.5773503 0.0321365), wk = 0.0025707 k( 363) = ( 0.3333333 0.5773503 0.0428486), wk = 0.0025707 k( 364) = ( 0.3333333 0.5773503 0.0535607), wk = 0.0025707 k( 365) = ( 0.3333333 0.5773503 0.0642729), wk = 0.0025707 k( 366) = ( 0.3333333 0.5773503 0.0749851), wk = 0.0025707 k( 367) = ( 0.3333333 0.5773503 0.0856972), wk = 0.0025707 k( 368) = ( 0.3333333 0.5773503 0.0964094), wk = 0.0025707 k( 369) = ( 0.3333333 0.5773503 0.1071215), wk = 0.0025707 k( 370) = ( 0.3333333 0.5773503 0.1178336), wk = 0.0025707 k( 371) = ( 0.3333333 0.5773503 0.1285458), wk = 0.0025707 k( 372) = ( 0.3333333 0.5773503 0.1392580), wk = 0.0025707 k( 373) = ( 0.3333333 0.5773503 0.1499701), wk = 0.0025707 k( 374) = ( 0.3333333 0.5773503 0.1606823), wk = 0.0025707 k( 375) = ( 0.3333333 0.5773503 0.1713944), wk = 0.0025707 k( 376) = ( 0.3333333 0.5773503 0.1821065), wk = 0.0025707 k( 377) = ( 0.3333333 0.5773503 0.1928187), wk = 0.0025707 k( 378) = ( 0.3333333 0.5773503 0.2035309), wk = 0.0025707 k( 379) = ( 0.3333333 0.5773503 0.2142430), wk = 0.0025707 k( 380) = ( 0.3333333 0.5773503 0.2249552), wk = 0.0025707 k( 381) = ( 0.3333333 0.5773503 0.2356673), wk = 0.0025707 k( 382) = ( 0.3333333 0.5773503 0.2463794), wk = 0.0025707 k( 383) = ( 0.3333333 0.5773503 0.2570916), wk = 0.0025707 k( 384) = ( 0.3333333 0.5773503 0.2678038), wk = 0.0025707 k( 385) = ( 0.3333333 0.5773503 0.2785159), wk = 0.0025707 k( 386) = ( 0.3333333 0.5773503 0.2892281), wk = 0.0025707 k( 387) = ( 0.3333333 0.5773503 0.2999402), wk = 0.0025707 k( 388) = ( 0.3333333 0.5773503 0.3106524), wk = 0.0025707 k( 389) = ( 0.3333333 0.5773503 0.3213645), wk = 0.0025707 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0025707 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0025707 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0025707 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0025707 k( 6) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0025707 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0025707 k( 8) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0025707 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0025707 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0025707 k( 11) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0025707 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0025707 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0025707 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0025707 k( 15) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0025707 k( 16) = ( 0.1415094 0.0000000 0.0000000), wk = 0.0025707 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0025707 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0025707 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0025707 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0025707 k( 21) = ( 0.1886792 0.0000000 0.0000000), wk = 0.0025707 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0025707 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0025707 k( 24) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0025707 k( 25) = ( 0.2264151 0.0000000 0.0000000), wk = 0.0025707 k( 26) = ( 0.2358491 0.0000000 0.0000000), wk = 0.0025707 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0025707 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0025707 k( 29) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0025707 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0025707 k( 31) = ( 0.2830189 0.0000000 0.0000000), wk = 0.0025707 k( 32) = ( 0.2924528 0.0000000 -0.0000000), wk = 0.0025707 k( 33) = ( 0.3018868 0.0000000 -0.0000000), wk = 0.0025707 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0025707 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0025707 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0025707 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0025707 k( 38) = ( 0.3490566 0.0000000 0.0000000), wk = 0.0025707 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0025707 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0025707 k( 41) = ( 0.3773585 0.0000000 0.0000000), wk = 0.0025707 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0025707 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0025707 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0025707 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0025707 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0025707 k( 47) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0025707 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0025707 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0025707 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0025707 k( 51) = ( 0.4716981 0.0000000 0.0000000), wk = 0.0025707 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0025707 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0025707 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 56) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0025707 k( 57) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0025707 k( 58) = ( 0.4838710 0.0322581 0.0000000), wk = 0.0025707 k( 59) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0025707 k( 60) = ( 0.4731183 0.0537634 0.0000000), wk = 0.0025707 k( 61) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0025707 k( 62) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0025707 k( 63) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0025707 k( 64) = ( 0.4516129 0.0967742 -0.0000000), wk = 0.0025707 k( 65) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0025707 k( 66) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0025707 k( 67) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0025707 k( 68) = ( 0.4301075 0.1397850 0.0000000), wk = 0.0025707 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0025707 k( 70) = ( 0.4193548 0.1612903 0.0000000), wk = 0.0025707 k( 71) = ( 0.4139785 0.1720430 0.0000000), wk = 0.0025707 k( 72) = ( 0.4086021 0.1827957 0.0000000), wk = 0.0025707 k( 73) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0025707 k( 74) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0025707 k( 75) = ( 0.3924731 0.2150538 0.0000000), wk = 0.0025707 k( 76) = ( 0.3870968 0.2258064 -0.0000000), wk = 0.0025707 k( 77) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0025707 k( 78) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0025707 k( 79) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0025707 k( 80) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0025707 k( 81) = ( 0.3602150 0.2795699 0.0000000), wk = 0.0025707 k( 82) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0025707 k( 83) = ( 0.3494624 0.3010753 0.0000000), wk = 0.0025707 k( 84) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0025707 k( 85) = ( 0.3387097 0.3225807 -0.0000000), wk = 0.0025707 k( 86) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 88) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0025707 k( 89) = ( 0.3224044 0.3224044 -0.0000000), wk = 0.0025707 k( 90) = ( 0.3169399 0.3169399 0.0000000), wk = 0.0025707 k( 91) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0025707 k( 92) = ( 0.3060109 0.3060109 0.0000000), wk = 0.0025707 k( 93) = ( 0.3005465 0.3005465 0.0000000), wk = 0.0025707 k( 94) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0025707 k( 95) = ( 0.2896175 0.2896175 0.0000000), wk = 0.0025707 k( 96) = ( 0.2841530 0.2841530 -0.0000000), wk = 0.0025707 k( 97) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0025707 k( 98) = ( 0.2732240 0.2732240 0.0000000), wk = 0.0025707 k( 99) = ( 0.2677596 0.2677596 0.0000000), wk = 0.0025707 k( 100) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0025707 k( 101) = ( 0.2568306 0.2568306 -0.0000000), wk = 0.0025707 k( 102) = ( 0.2513661 0.2513661 0.0000000), wk = 0.0025707 k( 103) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0025707 k( 104) = ( 0.2404372 0.2404372 -0.0000000), wk = 0.0025707 k( 105) = ( 0.2349727 0.2349727 0.0000000), wk = 0.0025707 k( 106) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0025707 k( 107) = ( 0.2240437 0.2240437 0.0000000), wk = 0.0025707 k( 108) = ( 0.2185792 0.2185792 0.0000000), wk = 0.0025707 k( 109) = ( 0.2131147 0.2131148 0.0000000), wk = 0.0025707 k( 110) = ( 0.2076503 0.2076503 0.0000000), wk = 0.0025707 k( 111) = ( 0.2021858 0.2021858 0.0000000), wk = 0.0025707 k( 112) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0025707 k( 113) = ( 0.1912568 0.1912568 -0.0000000), wk = 0.0025707 k( 114) = ( 0.1857923 0.1857923 0.0000000), wk = 0.0025707 k( 115) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0025707 k( 116) = ( 0.1748634 0.1748634 -0.0000000), wk = 0.0025707 k( 117) = ( 0.1693989 0.1693989 0.0000000), wk = 0.0025707 k( 118) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0025707 k( 119) = ( 0.1584699 0.1584700 0.0000000), wk = 0.0025707 k( 120) = ( 0.1530055 0.1530055 0.0000000), wk = 0.0025707 k( 121) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0025707 k( 122) = ( 0.1420765 0.1420765 0.0000000), wk = 0.0025707 k( 123) = ( 0.1366120 0.1366120 0.0000000), wk = 0.0025707 k( 124) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0025707 k( 125) = ( 0.1256831 0.1256831 0.0000000), wk = 0.0025707 k( 126) = ( 0.1202186 0.1202186 -0.0000000), wk = 0.0025707 k( 127) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0025707 k( 128) = ( 0.1092896 0.1092896 0.0000000), wk = 0.0025707 k( 129) = ( 0.1038251 0.1038251 0.0000000), wk = 0.0025707 k( 130) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0025707 k( 131) = ( 0.0928962 0.0928962 0.0000000), wk = 0.0025707 k( 132) = ( 0.0874317 0.0874317 0.0000000), wk = 0.0025707 k( 133) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0025707 k( 134) = ( 0.0765027 0.0765027 0.0000000), wk = 0.0025707 k( 135) = ( 0.0710382 0.0710382 0.0000000), wk = 0.0025707 k( 136) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0025707 k( 137) = ( 0.0601093 0.0601093 -0.0000000), wk = 0.0025707 k( 138) = ( 0.0546448 0.0546448 0.0000000), wk = 0.0025707 k( 139) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0025707 k( 140) = ( 0.0437159 0.0437159 0.0000000), wk = 0.0025707 k( 141) = ( 0.0382514 0.0382514 -0.0000000), wk = 0.0025707 k( 142) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0025707 k( 143) = ( 0.0273224 0.0273224 -0.0000000), wk = 0.0025707 k( 144) = ( 0.0218579 0.0218579 -0.0000000), wk = 0.0025707 k( 145) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0025707 k( 146) = ( 0.0109290 0.0109290 -0.0000000), wk = 0.0025707 k( 147) = ( 0.0054645 0.0054645 -0.0000000), wk = 0.0025707 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 150) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0025707 k( 151) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0025707 k( 152) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025707 k( 153) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0025707 k( 154) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025707 k( 155) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025707 k( 156) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0025707 k( 157) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0025707 k( 158) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025707 k( 159) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025707 k( 160) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0025707 k( 161) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025707 k( 162) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0025707 k( 163) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0025707 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025707 k( 165) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0025707 k( 166) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0025707 k( 167) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025707 k( 170) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025707 k( 171) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0025707 k( 172) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0025707 k( 173) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025707 k( 174) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025707 k( 175) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0025707 k( 178) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0025707 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 181) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0025707 k( 182) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0025707 k( 183) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0025707 k( 184) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0025707 k( 185) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0025707 k( 186) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0025707 k( 187) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0025707 k( 188) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0025707 k( 189) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0025707 k( 190) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0025707 k( 191) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0025707 k( 192) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0025707 k( 193) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0025707 k( 194) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0025707 k( 195) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0025707 k( 196) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0025707 k( 197) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0025707 k( 198) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0025707 k( 199) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0025707 k( 200) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0025707 k( 201) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0025707 k( 202) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0025707 k( 203) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0025707 k( 204) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0025707 k( 205) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0025707 k( 206) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0025707 k( 207) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0025707 k( 208) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0025707 k( 209) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0025707 k( 210) = ( 0.2830189 0.0000000 0.5000000), wk = 0.0025707 k( 211) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0025707 k( 212) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0025707 k( 213) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0025707 k( 214) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0025707 k( 215) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0025707 k( 216) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0025707 k( 217) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0025707 k( 218) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0025707 k( 219) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0025707 k( 220) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0025707 k( 221) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0025707 k( 222) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0025707 k( 223) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0025707 k( 224) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0025707 k( 225) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0025707 k( 226) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0025707 k( 227) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0025707 k( 228) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0025707 k( 229) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0025707 k( 230) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0025707 k( 231) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0025707 k( 232) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0025707 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 235) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0025707 k( 236) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0025707 k( 237) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0025707 k( 238) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0025707 k( 239) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0025707 k( 240) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0025707 k( 241) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0025707 k( 242) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0025707 k( 243) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0025707 k( 244) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0025707 k( 245) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0025707 k( 246) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0025707 k( 247) = ( 0.4301075 0.1397850 0.5000000), wk = 0.0025707 k( 248) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0025707 k( 249) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0025707 k( 250) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0025707 k( 251) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0025707 k( 252) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0025707 k( 253) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0025707 k( 254) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0025707 k( 255) = ( 0.3870968 0.2258064 0.5000000), wk = 0.0025707 k( 256) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0025707 k( 257) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0025707 k( 258) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0025707 k( 259) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0025707 k( 260) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0025707 k( 261) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0025707 k( 262) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0025707 k( 263) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0025707 k( 264) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0025707 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025707 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025707 k( 267) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0025707 k( 268) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0025707 k( 269) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0025707 k( 270) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0025707 k( 271) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0025707 k( 272) = ( 0.3005465 0.3005465 0.5000000), wk = 0.0025707 k( 273) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0025707 k( 274) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0025707 k( 275) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0025707 k( 276) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0025707 k( 277) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0025707 k( 278) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0025707 k( 279) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0025707 k( 280) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0025707 k( 281) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0025707 k( 282) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0025707 k( 283) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0025707 k( 284) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0025707 k( 285) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0025707 k( 286) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0025707 k( 287) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0025707 k( 288) = ( 0.2131147 0.2131148 0.5000000), wk = 0.0025707 k( 289) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0025707 k( 290) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0025707 k( 291) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0025707 k( 292) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0025707 k( 293) = ( 0.1857923 0.1857923 0.5000000), wk = 0.0025707 k( 294) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0025707 k( 295) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0025707 k( 296) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0025707 k( 297) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0025707 k( 298) = ( 0.1584699 0.1584700 0.5000000), wk = 0.0025707 k( 299) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0025707 k( 300) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0025707 k( 301) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0025707 k( 302) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0025707 k( 303) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0025707 k( 304) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0025707 k( 305) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0025707 k( 306) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0025707 k( 307) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0025707 k( 308) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0025707 k( 309) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0025707 k( 310) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0025707 k( 311) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0025707 k( 312) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0025707 k( 313) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0025707 k( 314) = ( 0.0710382 0.0710382 0.5000000), wk = 0.0025707 k( 315) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0025707 k( 316) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0025707 k( 317) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0025707 k( 318) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0025707 k( 319) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0025707 k( 320) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0025707 k( 321) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0025707 k( 322) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0025707 k( 323) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0025707 k( 324) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0025707 k( 325) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0025707 k( 326) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0025707 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 329) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0025707 k( 330) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0025707 k( 331) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0025707 k( 332) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0025707 k( 333) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0025707 k( 334) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0025707 k( 335) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0025707 k( 336) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0025707 k( 337) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0025707 k( 338) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0025707 k( 339) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0025707 k( 340) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0025707 k( 341) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0025707 k( 342) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0025707 k( 343) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025707 k( 344) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0025707 k( 345) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0025707 k( 346) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0025707 k( 347) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0025707 k( 348) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0025707 k( 349) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0025707 k( 350) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0025707 k( 351) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0025707 k( 352) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0025707 k( 353) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0025707 k( 354) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0025707 k( 355) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0025707 k( 356) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0025707 k( 357) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0025707 k( 358) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 359) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 360) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0025707 k( 361) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0025707 k( 362) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0025707 k( 363) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0025707 k( 364) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0025707 k( 365) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0025707 k( 366) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0025707 k( 367) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0025707 k( 368) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0025707 k( 369) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0025707 k( 370) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0025707 k( 371) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0025707 k( 372) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0025707 k( 373) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0025707 k( 374) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025707 k( 375) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0025707 k( 376) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0025707 k( 377) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0025707 k( 378) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0025707 k( 379) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025707 k( 380) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0025707 k( 381) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0025707 k( 382) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0025707 k( 383) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0025707 k( 384) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0025707 k( 385) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0025707 k( 386) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0025707 k( 387) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0025707 k( 388) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0025707 k( 389) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025707 Dense grid: 22657 G-vectors FFT dimensions: ( 32, 32, 50) Smooth grid: 13631 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 108, 40) NL pseudopotentials 0.11 Mb ( 54, 136) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.00 Mb ( 633) G-vector shells 0.00 Mb ( 326) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 108, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) The potential is recalculated from file : ./NiS.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 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.5 secs Computing kpt #: 15 total cpu time spent up to now is 4.7 secs Computing kpt #: 16 total cpu time spent up to now is 4.9 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.8 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.5 secs Computing kpt #: 24 total cpu time spent up to now is 6.7 secs Computing kpt #: 25 total cpu time spent up to now is 6.9 secs Computing kpt #: 26 total cpu time spent up to now is 7.2 secs Computing kpt #: 27 total cpu time spent up to now is 7.5 secs Computing kpt #: 28 total cpu time spent up to now is 7.8 secs Computing kpt #: 29 total cpu time spent up to now is 8.0 secs Computing kpt #: 30 total cpu time spent up to now is 8.3 secs Computing kpt #: 31 total cpu time spent up to now is 8.6 secs Computing kpt #: 32 total cpu time spent up to now is 8.9 secs Computing kpt #: 33 total cpu time spent up to now is 9.1 secs Computing kpt #: 34 total cpu time spent up to now is 9.4 secs Computing kpt #: 35 total cpu time spent up to now is 9.6 secs Computing kpt #: 36 total cpu time spent up to now is 9.9 secs Computing kpt #: 37 total cpu time spent up to now is 10.1 secs Computing kpt #: 38 total cpu time spent up to now is 10.3 secs Computing kpt #: 39 total cpu time spent up to now is 10.6 secs Computing kpt #: 40 total cpu time spent up to now is 10.8 secs Computing kpt #: 41 total cpu time spent up to now is 11.1 secs Computing kpt #: 42 total cpu time spent up to now is 11.3 secs Computing kpt #: 43 total cpu time spent up to now is 11.5 secs Computing kpt #: 44 total cpu time spent up to now is 11.8 secs Computing kpt #: 45 total cpu time spent up to now is 12.0 secs Computing kpt #: 46 total cpu time spent up to now is 12.3 secs Computing kpt #: 47 total cpu time spent up to now is 12.5 secs Computing kpt #: 48 total cpu time spent up to now is 12.7 secs Computing kpt #: 49 total cpu time spent up to now is 13.0 secs Computing kpt #: 50 total cpu time spent up to now is 13.2 secs Computing kpt #: 51 total cpu time spent up to now is 13.5 secs Computing kpt #: 52 total cpu time spent up to now is 13.8 secs Computing kpt #: 53 total cpu time spent up to now is 14.1 secs Computing kpt #: 54 total cpu time spent up to now is 14.4 secs Computing kpt #: 55 total cpu time spent up to now is 14.7 secs Computing kpt #: 56 total cpu time spent up to now is 15.4 secs Computing kpt #: 57 total cpu time spent up to now is 15.6 secs Computing kpt #: 58 total cpu time spent up to now is 15.9 secs Computing kpt #: 59 total cpu time spent up to now is 16.1 secs Computing kpt #: 60 total cpu time spent up to now is 16.3 secs Computing kpt #: 61 total cpu time spent up to now is 16.5 secs Computing kpt #: 62 total cpu time spent up to now is 16.8 secs Computing kpt #: 63 total cpu time spent up to now is 17.1 secs Computing kpt #: 64 total cpu time spent up to now is 17.4 secs Computing kpt #: 65 total cpu time spent up to now is 17.7 secs Computing kpt #: 66 total cpu time spent up to now is 17.9 secs Computing kpt #: 67 total cpu time spent up to now is 18.2 secs Computing kpt #: 68 total cpu time spent up to now is 18.5 secs Computing kpt #: 69 total cpu time spent up to now is 18.7 secs Computing kpt #: 70 total cpu time spent up to now is 19.0 secs Computing kpt #: 71 total cpu time spent up to now is 19.3 secs Computing kpt #: 72 total cpu time spent up to now is 19.6 secs Computing kpt #: 73 total cpu time spent up to now is 19.8 secs Computing kpt #: 74 total cpu time spent up to now is 20.1 secs Computing kpt #: 75 total cpu time spent up to now is 20.3 secs Computing kpt #: 76 total cpu time spent up to now is 20.5 secs Computing kpt #: 77 total cpu time spent up to now is 20.8 secs Computing kpt #: 78 total cpu time spent up to now is 21.0 secs Computing kpt #: 79 total cpu time spent up to now is 21.2 secs Computing kpt #: 80 total cpu time spent up to now is 21.5 secs Computing kpt #: 81 total cpu time spent up to now is 21.7 secs Computing kpt #: 82 total cpu time spent up to now is 21.9 secs Computing kpt #: 83 total cpu time spent up to now is 22.2 secs Computing kpt #: 84 total cpu time spent up to now is 22.4 secs Computing kpt #: 85 total cpu time spent up to now is 22.6 secs Computing kpt #: 86 total cpu time spent up to now is 22.8 secs Computing kpt #: 87 total cpu time spent up to now is 23.1 secs Computing kpt #: 88 total cpu time spent up to now is 23.3 secs Computing kpt #: 89 total cpu time spent up to now is 23.5 secs Computing kpt #: 90 total cpu time spent up to now is 23.8 secs Computing kpt #: 91 total cpu time spent up to now is 24.0 secs Computing kpt #: 92 total cpu time spent up to now is 24.2 secs Computing kpt #: 93 total cpu time spent up to now is 24.5 secs Computing kpt #: 94 total cpu time spent up to now is 24.7 secs Computing kpt #: 95 total cpu time spent up to now is 24.9 secs Computing kpt #: 96 total cpu time spent up to now is 25.2 secs Computing kpt #: 97 total cpu time spent up to now is 25.4 secs Computing kpt #: 98 total cpu time spent up to now is 25.7 secs Computing kpt #: 99 total cpu time spent up to now is 25.9 secs Computing kpt #: 100 total cpu time spent up to now is 26.1 secs Computing kpt #: 101 total cpu time spent up to now is 26.4 secs Computing kpt #: 102 total cpu time spent up to now is 26.6 secs Computing kpt #: 103 total cpu time spent up to now is 26.8 secs Computing kpt #: 104 total cpu time spent up to now is 27.1 secs Computing kpt #: 105 total cpu time spent up to now is 27.3 secs Computing kpt #: 106 total cpu time spent up to now is 27.5 secs Computing kpt #: 107 total cpu time spent up to now is 27.8 secs Computing kpt #: 108 total cpu time spent up to now is 28.0 secs Computing kpt #: 109 total cpu time spent up to now is 28.2 secs Computing kpt #: 110 total cpu time spent up to now is 28.5 secs Computing kpt #: 111 total cpu time spent up to now is 28.7 secs Computing kpt #: 112 total cpu time spent up to now is 29.0 secs Computing kpt #: 113 total cpu time spent up to now is 29.2 secs Computing kpt #: 114 total cpu time spent up to now is 29.4 secs Computing kpt #: 115 total cpu time spent up to now is 29.7 secs Computing kpt #: 116 total cpu time spent up to now is 29.9 secs Computing kpt #: 117 total cpu time spent up to now is 30.2 secs Computing kpt #: 118 total cpu time spent up to now is 30.4 secs Computing kpt #: 119 total cpu time spent up to now is 30.7 secs Computing kpt #: 120 total cpu time spent up to now is 30.9 secs Computing kpt #: 121 total cpu time spent up to now is 31.2 secs Computing kpt #: 122 total cpu time spent up to now is 31.5 secs Computing kpt #: 123 total cpu time spent up to now is 31.8 secs Computing kpt #: 124 total cpu time spent up to now is 32.0 secs Computing kpt #: 125 total cpu time spent up to now is 32.3 secs Computing kpt #: 126 total cpu time spent up to now is 32.5 secs Computing kpt #: 127 total cpu time spent up to now is 32.8 secs Computing kpt #: 128 total cpu time spent up to now is 33.0 secs Computing kpt #: 129 total cpu time spent up to now is 33.3 secs Computing kpt #: 130 total cpu time spent up to now is 33.5 secs Computing kpt #: 131 total cpu time spent up to now is 33.7 secs Computing kpt #: 132 total cpu time spent up to now is 33.9 secs Computing kpt #: 133 total cpu time spent up to now is 34.1 secs Computing kpt #: 134 total cpu time spent up to now is 34.3 secs Computing kpt #: 135 total cpu time spent up to now is 34.5 secs Computing kpt #: 136 total cpu time spent up to now is 34.7 secs Computing kpt #: 137 total cpu time spent up to now is 34.9 secs Computing kpt #: 138 total cpu time spent up to now is 35.1 secs Computing kpt #: 139 total cpu time spent up to now is 35.3 secs Computing kpt #: 140 total cpu time spent up to now is 35.5 secs Computing kpt #: 141 total cpu time spent up to now is 35.7 secs Computing kpt #: 142 total cpu time spent up to now is 35.9 secs Computing kpt #: 143 total cpu time spent up to now is 36.1 secs Computing kpt #: 144 total cpu time spent up to now is 36.3 secs Computing kpt #: 145 total cpu time spent up to now is 36.5 secs Computing kpt #: 146 total cpu time spent up to now is 36.7 secs Computing kpt #: 147 total cpu time spent up to now is 36.9 secs Computing kpt #: 148 total cpu time spent up to now is 37.0 secs Computing kpt #: 149 total cpu time spent up to now is 37.2 secs Computing kpt #: 150 total cpu time spent up to now is 37.4 secs Computing kpt #: 151 total cpu time spent up to now is 37.6 secs Computing kpt #: 152 total cpu time spent up to now is 37.8 secs Computing kpt #: 153 total cpu time spent up to now is 38.0 secs Computing kpt #: 154 total cpu time spent up to now is 38.1 secs Computing kpt #: 155 total cpu time spent up to now is 38.3 secs Computing kpt #: 156 total cpu time spent up to now is 38.5 secs Computing kpt #: 157 total cpu time spent up to now is 38.7 secs Computing kpt #: 158 total cpu time spent up to now is 38.9 secs Computing kpt #: 159 total cpu time spent up to now is 39.1 secs Computing kpt #: 160 total cpu time spent up to now is 39.3 secs Computing kpt #: 161 total cpu time spent up to now is 39.5 secs Computing kpt #: 162 total cpu time spent up to now is 39.7 secs Computing kpt #: 163 total cpu time spent up to now is 39.9 secs Computing kpt #: 164 total cpu time spent up to now is 40.1 secs Computing kpt #: 165 total cpu time spent up to now is 40.3 secs Computing kpt #: 166 total cpu time spent up to now is 40.6 secs Computing kpt #: 167 total cpu time spent up to now is 40.8 secs Computing kpt #: 168 total cpu time spent up to now is 41.0 secs Computing kpt #: 169 total cpu time spent up to now is 41.2 secs Computing kpt #: 170 total cpu time spent up to now is 41.4 secs Computing kpt #: 171 total cpu time spent up to now is 41.6 secs Computing kpt #: 172 total cpu time spent up to now is 41.8 secs Computing kpt #: 173 total cpu time spent up to now is 42.0 secs Computing kpt #: 174 total cpu time spent up to now is 42.3 secs Computing kpt #: 175 total cpu time spent up to now is 42.5 secs Computing kpt #: 176 total cpu time spent up to now is 42.7 secs Computing kpt #: 177 total cpu time spent up to now is 42.9 secs Computing kpt #: 178 total cpu time spent up to now is 43.1 secs Computing kpt #: 179 total cpu time spent up to now is 43.4 secs Computing kpt #: 180 total cpu time spent up to now is 43.6 secs Computing kpt #: 181 total cpu time spent up to now is 43.8 secs Computing kpt #: 182 total cpu time spent up to now is 44.0 secs Computing kpt #: 183 total cpu time spent up to now is 44.3 secs Computing kpt #: 184 total cpu time spent up to now is 44.5 secs Computing kpt #: 185 total cpu time spent up to now is 44.7 secs Computing kpt #: 186 total cpu time spent up to now is 45.0 secs Computing kpt #: 187 total cpu time spent up to now is 45.2 secs Computing kpt #: 188 total cpu time spent up to now is 45.7 secs Computing kpt #: 189 total cpu time spent up to now is 45.9 secs Computing kpt #: 190 total cpu time spent up to now is 46.2 secs Computing kpt #: 191 total cpu time spent up to now is 46.4 secs Computing kpt #: 192 total cpu time spent up to now is 46.6 secs Computing kpt #: 193 total cpu time spent up to now is 46.9 secs Computing kpt #: 194 total cpu time spent up to now is 47.1 secs Computing kpt #: 195 total cpu time spent up to now is 47.4 secs Computing kpt #: 196 total cpu time spent up to now is 47.6 secs Computing kpt #: 197 total cpu time spent up to now is 47.8 secs Computing kpt #: 198 total cpu time spent up to now is 48.0 secs Computing kpt #: 199 total cpu time spent up to now is 48.3 secs Computing kpt #: 200 total cpu time spent up to now is 48.5 secs Computing kpt #: 201 total cpu time spent up to now is 48.7 secs Computing kpt #: 202 total cpu time spent up to now is 48.9 secs Computing kpt #: 203 total cpu time spent up to now is 49.1 secs Computing kpt #: 204 total cpu time spent up to now is 49.4 secs Computing kpt #: 205 total cpu time spent up to now is 49.6 secs Computing kpt #: 206 total cpu time spent up to now is 49.8 secs Computing kpt #: 207 total cpu time spent up to now is 50.0 secs Computing kpt #: 208 total cpu time spent up to now is 50.2 secs Computing kpt #: 209 total cpu time spent up to now is 50.4 secs Computing kpt #: 210 total cpu time spent up to now is 50.6 secs Computing kpt #: 211 total cpu time spent up to now is 50.8 secs Computing kpt #: 212 total cpu time spent up to now is 51.0 secs Computing kpt #: 213 total cpu time spent up to now is 51.2 secs Computing kpt #: 214 total cpu time spent up to now is 51.4 secs Computing kpt #: 215 total cpu time spent up to now is 51.6 secs Computing kpt #: 216 total cpu time spent up to now is 51.8 secs Computing kpt #: 217 total cpu time spent up to now is 52.0 secs Computing kpt #: 218 total cpu time spent up to now is 52.2 secs Computing kpt #: 219 total cpu time spent up to now is 52.3 secs Computing kpt #: 220 total cpu time spent up to now is 52.5 secs Computing kpt #: 221 total cpu time spent up to now is 52.7 secs Computing kpt #: 222 total cpu time spent up to now is 52.9 secs Computing kpt #: 223 total cpu time spent up to now is 53.1 secs Computing kpt #: 224 total cpu time spent up to now is 53.3 secs Computing kpt #: 225 total cpu time spent up to now is 53.5 secs Computing kpt #: 226 total cpu time spent up to now is 53.7 secs Computing kpt #: 227 total cpu time spent up to now is 53.9 secs Computing kpt #: 228 total cpu time spent up to now is 54.1 secs Computing kpt #: 229 total cpu time spent up to now is 54.2 secs Computing kpt #: 230 total cpu time spent up to now is 54.4 secs Computing kpt #: 231 total cpu time spent up to now is 54.6 secs Computing kpt #: 232 total cpu time spent up to now is 54.8 secs Computing kpt #: 233 total cpu time spent up to now is 55.0 secs Computing kpt #: 234 total cpu time spent up to now is 55.2 secs Computing kpt #: 235 total cpu time spent up to now is 55.4 secs Computing kpt #: 236 total cpu time spent up to now is 55.5 secs Computing kpt #: 237 total cpu time spent up to now is 55.7 secs Computing kpt #: 238 total cpu time spent up to now is 55.9 secs Computing kpt #: 239 total cpu time spent up to now is 56.1 secs Computing kpt #: 240 total cpu time spent up to now is 56.3 secs Computing kpt #: 241 total cpu time spent up to now is 56.5 secs Computing kpt #: 242 total cpu time spent up to now is 56.7 secs Computing kpt #: 243 total cpu time spent up to now is 56.9 secs Computing kpt #: 244 total cpu time spent up to now is 57.0 secs Computing kpt #: 245 total cpu time spent up to now is 57.2 secs Computing kpt #: 246 total cpu time spent up to now is 57.4 secs Computing kpt #: 247 total cpu time spent up to now is 57.6 secs Computing kpt #: 248 total cpu time spent up to now is 57.8 secs Computing kpt #: 249 total cpu time spent up to now is 58.1 secs Computing kpt #: 250 total cpu time spent up to now is 58.3 secs Computing kpt #: 251 total cpu time spent up to now is 58.5 secs Computing kpt #: 252 total cpu time spent up to now is 58.7 secs Computing kpt #: 253 total cpu time spent up to now is 58.9 secs Computing kpt #: 254 total cpu time spent up to now is 59.1 secs Computing kpt #: 255 total cpu time spent up to now is 59.4 secs Computing kpt #: 256 total cpu time spent up to now is 59.6 secs Computing kpt #: 257 total cpu time spent up to now is 59.8 secs Computing kpt #: 258 total cpu time spent up to now is 60.1 secs Computing kpt #: 259 total cpu time spent up to now is 60.3 secs Computing kpt #: 260 total cpu time spent up to now is 60.5 secs Computing kpt #: 261 total cpu time spent up to now is 60.8 secs Computing kpt #: 262 total cpu time spent up to now is 61.0 secs Computing kpt #: 263 total cpu time spent up to now is 61.3 secs Computing kpt #: 264 total cpu time spent up to now is 61.5 secs Computing kpt #: 265 total cpu time spent up to now is 61.8 secs Computing kpt #: 266 total cpu time spent up to now is 62.1 secs Computing kpt #: 267 total cpu time spent up to now is 62.3 secs Computing kpt #: 268 total cpu time spent up to now is 62.6 secs Computing kpt #: 269 total cpu time spent up to now is 62.8 secs Computing kpt #: 270 total cpu time spent up to now is 63.1 secs Computing kpt #: 271 total cpu time spent up to now is 63.3 secs Computing kpt #: 272 total cpu time spent up to now is 63.6 secs Computing kpt #: 273 total cpu time spent up to now is 63.8 secs Computing kpt #: 274 total cpu time spent up to now is 64.1 secs Computing kpt #: 275 total cpu time spent up to now is 64.3 secs Computing kpt #: 276 total cpu time spent up to now is 64.5 secs Computing kpt #: 277 total cpu time spent up to now is 64.8 secs Computing kpt #: 278 total cpu time spent up to now is 65.0 secs Computing kpt #: 279 total cpu time spent up to now is 65.2 secs Computing kpt #: 280 total cpu time spent up to now is 65.5 secs Computing kpt #: 281 total cpu time spent up to now is 65.7 secs Computing kpt #: 282 total cpu time spent up to now is 65.9 secs Computing kpt #: 283 total cpu time spent up to now is 66.1 secs Computing kpt #: 284 total cpu time spent up to now is 66.4 secs Computing kpt #: 285 total cpu time spent up to now is 66.6 secs Computing kpt #: 286 total cpu time spent up to now is 66.8 secs Computing kpt #: 287 total cpu time spent up to now is 67.0 secs Computing kpt #: 288 total cpu time spent up to now is 67.3 secs Computing kpt #: 289 total cpu time spent up to now is 67.5 secs Computing kpt #: 290 total cpu time spent up to now is 67.7 secs Computing kpt #: 291 total cpu time spent up to now is 67.9 secs Computing kpt #: 292 total cpu time spent up to now is 68.1 secs Computing kpt #: 293 total cpu time spent up to now is 68.4 secs Computing kpt #: 294 total cpu time spent up to now is 68.6 secs Computing kpt #: 295 total cpu time spent up to now is 68.8 secs Computing kpt #: 296 total cpu time spent up to now is 69.1 secs Computing kpt #: 297 total cpu time spent up to now is 69.3 secs Computing kpt #: 298 total cpu time spent up to now is 69.5 secs Computing kpt #: 299 total cpu time spent up to now is 69.7 secs Computing kpt #: 300 total cpu time spent up to now is 70.0 secs Computing kpt #: 301 total cpu time spent up to now is 70.2 secs Computing kpt #: 302 total cpu time spent up to now is 70.4 secs Computing kpt #: 303 total cpu time spent up to now is 70.7 secs Computing kpt #: 304 total cpu time spent up to now is 70.9 secs Computing kpt #: 305 total cpu time spent up to now is 71.2 secs Computing kpt #: 306 total cpu time spent up to now is 71.4 secs Computing kpt #: 307 total cpu time spent up to now is 71.6 secs Computing kpt #: 308 total cpu time spent up to now is 71.9 secs Computing kpt #: 309 total cpu time spent up to now is 72.1 secs Computing kpt #: 310 total cpu time spent up to now is 72.4 secs Computing kpt #: 311 total cpu time spent up to now is 72.6 secs Computing kpt #: 312 total cpu time spent up to now is 72.9 secs Computing kpt #: 313 total cpu time spent up to now is 73.1 secs Computing kpt #: 314 total cpu time spent up to now is 73.3 secs Computing kpt #: 315 total cpu time spent up to now is 73.6 secs Computing kpt #: 316 total cpu time spent up to now is 73.8 secs Computing kpt #: 317 total cpu time spent up to now is 74.1 secs Computing kpt #: 318 total cpu time spent up to now is 74.3 secs Computing kpt #: 319 total cpu time spent up to now is 74.5 secs Computing kpt #: 320 total cpu time spent up to now is 74.7 secs Computing kpt #: 321 total cpu time spent up to now is 75.0 secs Computing kpt #: 322 total cpu time spent up to now is 75.2 secs Computing kpt #: 323 total cpu time spent up to now is 75.4 secs Computing kpt #: 324 total cpu time spent up to now is 75.7 secs Computing kpt #: 325 total cpu time spent up to now is 76.0 secs Computing kpt #: 326 total cpu time spent up to now is 76.3 secs Computing kpt #: 327 total cpu time spent up to now is 76.6 secs Computing kpt #: 328 total cpu time spent up to now is 76.8 secs Computing kpt #: 329 total cpu time spent up to now is 77.1 secs Computing kpt #: 330 total cpu time spent up to now is 77.3 secs Computing kpt #: 331 total cpu time spent up to now is 77.5 secs Computing kpt #: 332 total cpu time spent up to now is 77.6 secs Computing kpt #: 333 total cpu time spent up to now is 77.8 secs Computing kpt #: 334 total cpu time spent up to now is 78.0 secs Computing kpt #: 335 total cpu time spent up to now is 78.2 secs Computing kpt #: 336 total cpu time spent up to now is 78.4 secs Computing kpt #: 337 total cpu time spent up to now is 78.6 secs Computing kpt #: 338 total cpu time spent up to now is 78.8 secs Computing kpt #: 339 total cpu time spent up to now is 79.0 secs Computing kpt #: 340 total cpu time spent up to now is 79.2 secs Computing kpt #: 341 total cpu time spent up to now is 79.4 secs Computing kpt #: 342 total cpu time spent up to now is 79.6 secs Computing kpt #: 343 total cpu time spent up to now is 79.8 secs Computing kpt #: 344 total cpu time spent up to now is 80.0 secs Computing kpt #: 345 total cpu time spent up to now is 80.2 secs Computing kpt #: 346 total cpu time spent up to now is 80.5 secs Computing kpt #: 347 total cpu time spent up to now is 80.9 secs Computing kpt #: 348 total cpu time spent up to now is 81.1 secs Computing kpt #: 349 total cpu time spent up to now is 81.3 secs Computing kpt #: 350 total cpu time spent up to now is 81.6 secs Computing kpt #: 351 total cpu time spent up to now is 81.8 secs Computing kpt #: 352 total cpu time spent up to now is 82.1 secs Computing kpt #: 353 total cpu time spent up to now is 82.4 secs Computing kpt #: 354 total cpu time spent up to now is 82.6 secs Computing kpt #: 355 total cpu time spent up to now is 82.9 secs Computing kpt #: 356 total cpu time spent up to now is 83.2 secs Computing kpt #: 357 total cpu time spent up to now is 83.5 secs Computing kpt #: 358 total cpu time spent up to now is 83.8 secs Computing kpt #: 359 total cpu time spent up to now is 84.0 secs Computing kpt #: 360 total cpu time spent up to now is 84.2 secs Computing kpt #: 361 total cpu time spent up to now is 84.5 secs Computing kpt #: 362 total cpu time spent up to now is 84.7 secs Computing kpt #: 363 total cpu time spent up to now is 84.9 secs Computing kpt #: 364 total cpu time spent up to now is 85.2 secs Computing kpt #: 365 total cpu time spent up to now is 85.4 secs Computing kpt #: 366 total cpu time spent up to now is 85.6 secs Computing kpt #: 367 total cpu time spent up to now is 85.9 secs Computing kpt #: 368 total cpu time spent up to now is 86.2 secs Computing kpt #: 369 total cpu time spent up to now is 86.7 secs Computing kpt #: 370 total cpu time spent up to now is 87.1 secs Computing kpt #: 371 total cpu time spent up to now is 87.5 secs Computing kpt #: 372 total cpu time spent up to now is 87.9 secs Computing kpt #: 373 total cpu time spent up to now is 88.3 secs Computing kpt #: 374 total cpu time spent up to now is 88.6 secs Computing kpt #: 375 total cpu time spent up to now is 88.9 secs Computing kpt #: 376 total cpu time spent up to now is 89.2 secs Computing kpt #: 377 total cpu time spent up to now is 89.5 secs Computing kpt #: 378 total cpu time spent up to now is 89.8 secs Computing kpt #: 379 total cpu time spent up to now is 90.1 secs Computing kpt #: 380 total cpu time spent up to now is 90.3 secs Computing kpt #: 381 total cpu time spent up to now is 90.6 secs Computing kpt #: 382 total cpu time spent up to now is 90.9 secs Computing kpt #: 383 total cpu time spent up to now is 91.2 secs Computing kpt #: 384 total cpu time spent up to now is 91.4 secs Computing kpt #: 385 total cpu time spent up to now is 91.7 secs Computing kpt #: 386 total cpu time spent up to now is 91.9 secs Computing kpt #: 387 total cpu time spent up to now is 92.2 secs Computing kpt #: 388 total cpu time spent up to now is 92.5 secs Computing kpt #: 389 total cpu time spent up to now is 92.7 secs ethr = 3.13E-08, avg # of iterations = 17.1 total cpu time spent up to now is 92.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1701 PWs) bands (ev): -4.6483 -4.6483 -2.4251 -2.4251 3.3688 3.3688 6.3625 6.3625 6.3647 6.3647 7.9511 7.9511 8.6149 8.6149 8.6557 8.6557 8.7891 8.7891 8.8936 8.8936 9.4250 9.4250 9.5141 9.5141 9.5980 9.5980 9.6674 9.6674 10.0991 10.0991 10.6205 10.6205 12.5381 12.5381 12.5819 12.5819 14.6953 14.6953 15.2236 15.2236 k = 0.0094 0.0054-0.0000 ( 1705 PWs) bands (ev): -4.6472 -4.6472 -2.4247 -2.4247 3.3701 3.3701 6.3619 6.3619 6.3644 6.3644 7.9501 7.9501 8.6117 8.6117 8.6520 8.6520 8.7862 8.7862 8.8912 8.8912 9.4257 9.4257 9.5145 9.5145 9.5976 9.5976 9.6665 9.6665 10.1052 10.1052 10.6203 10.6203 12.5343 12.5343 12.5785 12.5785 14.7039 14.7039 15.2297 15.2297 k = 0.0189 0.0109-0.0000 ( 1709 PWs) bands (ev): -4.6440 -4.6440 -2.4236 -2.4236 3.3741 3.3741 6.3592 6.3592 6.3643 6.3643 7.9468 7.9468 8.6022 8.6022 8.6409 8.6409 8.7774 8.7774 8.8853 8.8853 9.4272 9.4272 9.5161 9.5161 9.5963 9.5963 9.6640 9.6640 10.1229 10.1229 10.6197 10.6197 12.5217 12.5217 12.5700 12.5700 14.7291 14.7291 15.2479 15.2479 k = 0.0283 0.0163-0.0000 ( 1713 PWs) bands (ev): -4.6387 -4.6387 -2.4219 -2.4219 3.3807 3.3807 6.3543 6.3543 6.3647 6.3647 7.9412 7.9412 8.5862 8.5862 8.6229 8.6229 8.7616 8.7616 8.8776 8.8776 9.4281 9.4281 9.5204 9.5204 9.5943 9.5943 9.6605 9.6605 10.1511 10.1511 10.6188 10.6188 12.4976 12.4976 12.5599 12.5599 14.7700 14.7700 15.2779 15.2779 k = 0.0377 0.0218-0.0000 ( 1713 PWs) bands (ev): -4.6312 -4.6312 -2.4194 -2.4194 3.3899 3.3899 6.3473 6.3473 6.3654 6.3654 7.9327 7.9327 8.5633 8.5633 8.5990 8.5990 8.7381 8.7381 8.8705 8.8705 9.4268 9.4268 9.5288 9.5288 9.5915 9.5915 9.6568 9.6568 10.1883 10.1883 10.6175 10.6175 12.4618 12.4618 12.5497 12.5497 14.8249 14.8249 15.3195 15.3195 k = 0.0472 0.0272-0.0000 ( 1713 PWs) bands (ev): -4.6216 -4.6216 -2.4162 -2.4162 3.4017 3.4017 6.3382 6.3382 6.3664 6.3664 7.9207 7.9207 8.5333 8.5333 8.5703 8.5703 8.7068 8.7068 8.8655 8.8655 9.4227 9.4227 9.5415 9.5415 9.5880 9.5880 9.6532 9.6532 10.2327 10.2327 10.6158 10.6158 12.4163 12.4163 12.5392 12.5392 14.8919 14.8919 15.3721 15.3721 k = 0.0566 0.0327-0.0000 ( 1713 PWs) bands (ev): -4.6099 -4.6099 -2.4123 -2.4123 3.4162 3.4162 6.3271 6.3271 6.3676 6.3676 7.9042 7.9042 8.4963 8.4963 8.5380 8.5380 8.6687 8.6687 8.8630 8.8630 9.4165 9.4165 9.5578 9.5578 9.5840 9.5840 9.6504 9.6504 10.2830 10.2830 10.6137 10.6137 12.3630 12.3630 12.5279 12.5279 14.9687 14.9687 15.4352 15.4352 k = 0.0660 0.0381-0.0000 ( 1719 PWs) bands (ev): -4.5960 -4.5960 -2.4078 -2.4078 3.4332 3.4332 6.3139 6.3139 6.3690 6.3690 7.8819 7.8819 8.4536 8.4536 8.5031 8.5031 8.6249 8.6249 8.8628 8.8628 9.4091 9.4091 9.5752 9.5752 9.5804 9.5804 9.6485 9.6485 10.3379 10.3379 10.6113 10.6113 12.3035 12.3035 12.5157 12.5157 15.0532 15.0532 15.5082 15.5082 k = 0.0755 0.0436-0.0000 ( 1719 PWs) bands (ev): -4.5801 -4.5801 -2.4027 -2.4027 3.4529 3.4529 6.2988 6.2988 6.3706 6.3706 7.8522 7.8522 8.4078 8.4078 8.4660 8.4660 8.5768 8.5768 8.8647 8.8647 9.4013 9.4013 9.5745 9.5745 9.5951 9.5951 9.6483 9.6483 10.3964 10.3964 10.6085 10.6085 12.2394 12.2394 12.5028 12.5028 15.1432 15.1432 15.5900 15.5900 k = 0.0849 0.0490-0.0000 ( 1719 PWs) bands (ev): -4.5621 -4.5621 -2.3969 -2.3969 3.4751 3.4751 6.2817 6.2817 6.3724 6.3724 7.8130 7.8130 8.3616 8.3616 8.4270 8.4270 8.5256 8.5256 8.8683 8.8683 9.3937 9.3937 9.5698 9.5698 9.6112 9.6112 9.6515 9.6515 10.4573 10.4573 10.6055 10.6055 12.1717 12.1717 12.4893 12.4893 15.2366 15.2366 15.6799 15.6799 k = 0.0943 0.0545-0.0000 ( 1719 PWs) bands (ev): -4.5420 -4.5420 -2.3905 -2.3905 3.4999 3.4999 6.2626 6.2626 6.3744 6.3744 7.7623 7.7623 8.3179 8.3179 8.3864 8.3864 8.4720 8.4720 8.8735 8.8735 9.3867 9.3867 9.5650 9.5650 9.6213 9.6213 9.6610 9.6610 10.5196 10.5196 10.6028 10.6028 12.1012 12.1012 12.4756 12.4756 15.3315 15.3315 15.7765 15.7765 k = 0.1038 0.0599-0.0000 ( 1717 PWs) bands (ev): -4.5199 -4.5199 -2.3836 -2.3836 3.5272 3.5272 6.2415 6.2415 6.3765 6.3765 7.6994 7.6994 8.2791 8.2791 8.3444 8.3444 8.4167 8.4167 8.8799 8.8799 9.3806 9.3806 9.5601 9.5601 9.6251 9.6251 9.6762 9.6762 10.5759 10.5759 10.6070 10.6070 12.0289 12.0289 12.4618 12.4618 15.4260 15.4260 15.8785 15.8785 k = 0.1132 0.0654-0.0000 ( 1717 PWs) bands (ev): -4.4958 -4.4958 -2.3761 -2.3761 3.5571 3.5571 6.2183 6.2183 6.3787 6.3787 7.6239 7.6239 8.2460 8.2460 8.3013 8.3013 8.3603 8.3603 8.8875 8.8875 9.3754 9.3754 9.5553 9.5553 9.6259 9.6259 9.6934 9.6934 10.5872 10.5872 10.6568 10.6568 11.9552 11.9552 12.4483 12.4483 15.5183 15.5183 15.9843 15.9843 k = 0.1226 0.0708-0.0000 ( 1721 PWs) bands (ev): -4.4697 -4.4697 -2.3682 -2.3682 3.5894 3.5894 6.1931 6.1931 6.3811 6.3811 7.5368 7.5368 8.2186 8.2186 8.2572 8.2572 8.3034 8.3034 8.8960 8.8960 9.3711 9.3711 9.5505 9.5505 9.6256 9.6256 9.7104 9.7104 10.5834 10.5834 10.7215 10.7215 11.8807 11.8807 12.4353 12.4353 15.6063 15.6063 16.0920 16.0920 k = 0.1321 0.0763-0.0000 ( 1713 PWs) bands (ev): -4.4417 -4.4417 -2.3597 -2.3597 3.6243 3.6243 6.1658 6.1658 6.3836 6.3836 7.4400 7.4400 8.1962 8.1962 8.2122 8.2122 8.2469 8.2469 8.9055 8.9055 9.3680 9.3680 9.5459 9.5459 9.6248 9.6248 9.7262 9.7262 10.5778 10.5778 10.7876 10.7876 11.8058 11.8058 12.4230 12.4230 15.6883 15.6883 16.1999 16.1999 k = 0.1415 0.0817-0.0000 ( 1717 PWs) bands (ev): -4.4117 -4.4117 -2.3509 -2.3509 3.6615 3.6615 6.1361 6.1361 6.3862 6.3862 7.3351 7.3351 8.1631 8.1631 8.1789 8.1789 8.1928 8.1928 8.9159 8.9159 9.3656 9.3656 9.5411 9.5411 9.6237 9.6237 9.7402 9.7402 10.5712 10.5712 10.8538 10.8538 11.7309 11.7309 12.4118 12.4118 15.7622 15.7622 16.3063 16.3063 k = 0.1509 0.0871-0.0000 ( 1717 PWs) bands (ev): -4.3798 -4.3798 -2.3417 -2.3417 3.7012 3.7012 6.1041 6.1041 6.3889 6.3889 7.2244 7.2244 8.1121 8.1121 8.1400 8.1400 8.1657 8.1657 8.9270 8.9270 9.3641 9.3641 9.5364 9.5364 9.6225 9.6225 9.7522 9.7522 10.5639 10.5639 10.9195 10.9195 11.6562 11.6562 12.4017 12.4017 15.8263 15.8263 16.4097 16.4097 k = 0.1604 0.0926-0.0000 ( 1717 PWs) bands (ev): -4.3461 -4.3461 -2.3322 -2.3322 3.7432 3.7432 6.0694 6.0694 6.3916 6.3916 7.1095 7.1095 8.0570 8.0570 8.0932 8.0932 8.1532 8.1532 8.9388 8.9388 9.3634 9.3634 9.5317 9.5317 9.6213 9.6213 9.7619 9.7619 10.5559 10.5559 10.9843 10.9843 11.5821 11.5821 12.3931 12.3931 15.8791 15.8791 16.5089 16.5089 k = 0.1698 0.0980-0.0000 ( 1713 PWs) bands (ev): -4.3105 -4.3105 -2.3225 -2.3225 3.7876 3.7876 6.0318 6.0318 6.3944 6.3944 6.9922 6.9922 8.0001 8.0001 8.0485 8.0485 8.1428 8.1428 8.9512 8.9512 9.3634 9.3634 9.5272 9.5272 9.6201 9.6201 9.7693 9.7693 10.5470 10.5470 11.0480 11.0480 11.5089 11.5089 12.3860 12.3860 15.9199 15.9199 16.6027 16.6027 k = 0.1792 0.1035-0.0000 ( 1709 PWs) bands (ev): -4.2732 -4.2732 -2.3125 -2.3125 3.8343 3.8343 5.9907 5.9907 6.3972 6.3972 6.8741 6.8741 7.9427 7.9427 8.0053 8.0053 8.1337 8.1337 8.9642 8.9642 9.3640 9.3640 9.5228 9.5228 9.6190 9.6190 9.7743 9.7743 10.5373 10.5373 11.1102 11.1102 11.4367 11.4367 12.3806 12.3806 15.9485 15.9485 16.6900 16.6900 k = 0.1887 0.1089-0.0000 ( 1705 PWs) bands (ev): -4.2342 -4.2342 -2.3025 -2.3025 3.8832 3.8832 5.9456 5.9456 6.4000 6.4000 6.7568 6.7568 7.8853 7.8853 7.9632 7.9632 8.1256 8.1256 8.9777 8.9777 9.3651 9.3651 9.5184 9.5184 9.6177 9.6177 9.7768 9.7768 10.5268 10.5268 11.1704 11.1704 11.3659 11.3659 12.3768 12.3768 15.9658 15.9658 16.7695 16.7695 k = 0.1981 0.1144-0.0000 ( 1702 PWs) bands (ev): -4.1935 -4.1935 -2.2923 -2.2923 3.9344 3.9344 5.8955 5.8955 6.4027 6.4027 6.6420 6.6420 7.8282 7.8282 7.9220 7.9220 8.1182 8.1182 8.9916 8.9916 9.3665 9.3665 9.5141 9.5141 9.6166 9.6166 9.7770 9.7770 10.5153 10.5153 11.2276 11.2276 11.2975 11.2975 12.3748 12.3748 15.9730 15.9730 16.8396 16.8396 k = 0.2075 0.1198-0.0000 ( 1698 PWs) bands (ev): -4.1511 -4.1511 -2.2822 -2.2822 3.9877 3.9877 5.8394 5.8394 6.4053 6.4053 6.5317 6.5317 7.7716 7.7716 7.8819 7.8819 8.1112 8.1112 9.0058 9.0058 9.3681 9.3681 9.5101 9.5101 9.6154 9.6154 9.7749 9.7749 10.5027 10.5027 11.2253 11.2253 11.2878 11.2878 12.3745 12.3745 15.9718 15.9718 16.8981 16.8981 k = 0.2170 0.1253-0.0000 ( 1702 PWs) bands (ev): -4.1072 -4.1072 -2.2721 -2.2721 4.0431 4.0431 5.7761 5.7761 6.4061 6.4061 6.4292 6.4292 7.7157 7.7157 7.8427 7.8427 8.1043 8.1043 9.0203 9.0203 9.3697 9.3697 9.5061 9.5061 9.6142 9.6142 9.7706 9.7706 10.4892 10.4892 11.1605 11.1605 11.3398 11.3398 12.3759 12.3759 15.9636 15.9636 16.9433 16.9433 k = 0.2264 0.1307-0.0000 ( 1704 PWs) bands (ev): -4.0619 -4.0619 -2.2622 -2.2622 4.1005 4.1005 5.7047 5.7047 6.3299 6.3299 6.4114 6.4114 7.6602 7.6602 7.8048 7.8048 8.0976 8.0976 9.0350 9.0350 9.3714 9.3714 9.5025 9.5025 9.6131 9.6131 9.7642 9.7642 10.4745 10.4745 11.0967 11.0967 11.3901 11.3901 12.3788 12.3788 15.9502 15.9502 16.9734 16.9734 k = 0.2358 0.1362-0.0000 ( 1704 PWs) bands (ev): -4.0151 -4.0151 -2.2525 -2.2525 4.1600 4.1600 5.6245 5.6245 6.2427 6.2427 6.4135 6.4135 7.6056 7.6056 7.7680 7.7680 8.0909 8.0909 9.0499 9.0499 9.3728 9.3728 9.4993 9.4993 9.6120 9.6120 9.7560 9.7560 10.4586 10.4586 11.0349 11.0349 11.4374 11.4374 12.3833 12.3833 15.9326 15.9326 16.9871 16.9871 k = 0.2453 0.1416-0.0000 ( 1702 PWs) bands (ev): -3.9669 -3.9669 -2.2431 -2.2431 4.2213 4.2213 5.5356 5.5356 6.1648 6.1648 6.4156 6.4156 7.5517 7.5517 7.7325 7.7325 8.0841 8.0841 9.0648 9.0648 9.3740 9.3740 9.4965 9.4965 9.6109 9.6109 9.7462 9.7462 10.4414 10.4414 10.9754 10.9754 11.4815 11.4815 12.3892 12.3892 15.9122 15.9122 16.9699 16.9699 k = 0.2547 0.1471-0.0000 ( 1700 PWs) bands (ev): -3.9175 -3.9175 -2.2341 -2.2341 4.2844 4.2844 5.4390 5.4390 6.0957 6.0957 6.4177 6.4177 7.4985 7.4985 7.6984 7.6984 8.0771 8.0771 9.0798 9.0798 9.3746 9.3746 9.4941 9.4941 9.6098 9.6098 9.7351 9.7351 10.4229 10.4229 10.9184 10.9184 11.5219 11.5219 12.3964 12.3964 15.8897 15.8897 16.8572 16.8572 k = 0.2642 0.1525-0.0000 ( 1704 PWs) bands (ev): -3.8669 -3.8669 -2.2257 -2.2257 4.3493 4.3493 5.3363 5.3363 6.0343 6.0343 6.4195 6.4195 7.4461 7.4461 7.6655 7.6655 8.0699 8.0699 9.0945 9.0945 9.3745 9.3745 9.4921 9.4921 9.6085 9.6085 9.7228 9.7228 10.4031 10.4031 10.8642 10.8642 11.5587 11.5587 12.4047 12.4047 15.8659 15.8659 16.7390 16.7390 k = 0.2736 0.1580-0.0000 ( 1704 PWs) bands (ev): -3.8152 -3.8152 -2.2178 -2.2178 4.4159 4.4159 5.2293 5.2293 5.9796 5.9796 6.4211 6.4211 7.3945 7.3945 7.6341 7.6341 8.0625 8.0625 9.1092 9.1092 9.3737 9.3737 9.4906 9.4906 9.6069 9.6069 9.7098 9.7098 10.3818 10.3818 10.8128 10.8128 11.5916 11.5916 12.4140 12.4140 15.8415 15.8415 16.6281 16.6281 k = 0.2830 0.1634-0.0000 ( 1706 PWs) bands (ev): -3.7625 -3.7625 -2.2107 -2.2107 4.4840 4.4840 5.1195 5.1195 5.9301 5.9301 6.4225 6.4225 7.3436 7.3436 7.6042 7.6042 8.0548 8.0548 9.1237 9.1237 9.3721 9.3721 9.4895 9.4895 9.6049 9.6049 9.6966 9.6966 10.3591 10.3591 10.7644 10.7644 11.6205 11.6205 12.4242 12.4242 15.8168 15.8168 16.5255 16.5255 k = 0.2925 0.1688-0.0000 ( 1706 PWs) bands (ev): -3.7089 -3.7089 -2.2043 -2.2043 4.5535 4.5535 5.0085 5.0085 5.8849 5.8849 6.4236 6.4236 7.2934 7.2934 7.5757 7.5757 8.0468 8.0468 9.1380 9.1380 9.3697 9.3697 9.4887 9.4887 9.6021 9.6021 9.6835 9.6835 10.3351 10.3351 10.7190 10.7190 11.6455 11.6455 12.4350 12.4350 15.7924 15.7924 16.4312 16.4312 k = 0.3019 0.1743-0.0000 ( 1704 PWs) bands (ev): -3.6545 -3.6545 -2.1989 -2.1989 4.6243 4.6243 4.8975 4.8975 5.8431 5.8431 6.4245 6.4245 7.2438 7.2438 7.5488 7.5488 8.0386 8.0386 9.1517 9.1517 9.3665 9.3665 9.4882 9.4882 9.5981 9.5981 9.6715 9.6715 10.3096 10.3096 10.6768 10.6768 11.6666 11.6666 12.4465 12.4465 15.7685 15.7685 16.3454 16.3454 k = 0.3113 0.1797-0.0000 ( 1700 PWs) bands (ev): -3.5995 -3.5995 -2.1944 -2.1944 4.6959 4.6959 4.7879 4.7879 5.8044 5.8044 6.4252 6.4252 7.1949 7.1949 7.5234 7.5234 8.0301 8.0301 9.1650 9.1650 9.3626 9.3626 9.4877 9.4877 9.5922 9.5922 9.6611 9.6611 10.2829 10.2829 10.6380 10.6380 11.6838 11.6838 12.4583 12.4583 15.7454 15.7454 16.2680 16.2680 k = 0.3208 0.1852-0.0000 ( 1700 PWs) bands (ev): -3.5440 -3.5440 -2.1911 -2.1911 4.6775 4.6775 4.7711 4.7711 5.7681 5.7681 6.4255 6.4255 7.1465 7.1465 7.4995 7.4995 8.0214 8.0214 9.1777 9.1777 9.3581 9.3581 9.4870 9.4870 9.5841 9.5841 9.6532 9.6532 10.2550 10.2550 10.6022 10.6022 11.6973 11.6973 12.4703 12.4703 15.7232 15.7232 16.1990 16.1990 k = 0.3302 0.1906-0.0000 ( 1692 PWs) bands (ev): -3.4880 -3.4880 -2.1890 -2.1890 4.5720 4.5720 4.8449 4.8449 5.7340 5.7340 6.4257 6.4257 7.0986 7.0986 7.4772 7.4772 8.0125 8.0125 9.1899 9.1899 9.3530 9.3530 9.4862 9.4862 9.5739 9.5739 9.6479 9.6479 10.2260 10.2260 10.5696 10.5696 11.7073 11.7073 12.4825 12.4825 15.7022 15.7022 16.1380 16.1380 k = 0.3396 0.1961-0.0000 ( 1696 PWs) bands (ev): -3.4318 -3.4318 -2.1882 -2.1882 4.4689 4.4689 4.9199 4.9199 5.7019 5.7019 6.4255 6.4255 7.0510 7.0510 7.4563 7.4563 8.0035 8.0035 9.2010 9.2010 9.3473 9.3473 9.4849 9.4849 9.5621 9.5621 9.6446 9.6446 10.1960 10.1960 10.5401 10.5401 11.7141 11.7141 12.4948 12.4948 15.6824 15.6824 16.0847 16.0847 k = 0.3491 0.2015-0.0000 ( 1700 PWs) bands (ev): -3.3755 -3.3755 -2.1889 -2.1889 4.3691 4.3691 4.9957 4.9957 5.6717 5.6717 6.4251 6.4251 7.0037 7.0037 7.4370 7.4370 7.9941 7.9941 9.2114 9.2114 9.3412 9.3412 9.4831 9.4831 9.5494 9.5494 9.6429 9.6429 10.1655 10.1655 10.5135 10.5135 11.7180 11.7180 12.5068 12.5068 15.6641 15.6641 16.0389 16.0389 k = 0.3585 0.2070-0.0000 ( 1696 PWs) bands (ev): -3.3192 -3.3192 -2.1910 -2.1910 4.2732 4.2732 5.0722 5.0722 5.6433 5.6433 6.4245 6.4245 6.9565 6.9565 7.4192 7.4192 7.9848 7.9848 9.2209 9.2209 9.3349 9.3349 9.4806 9.4806 9.5367 9.5367 9.6424 9.6424 10.1346 10.1346 10.4898 10.4898 11.7194 11.7194 12.5187 12.5187 15.6472 15.6472 15.9999 15.9999 k = 0.3679 0.2124-0.0000 ( 1692 PWs) bands (ev): -3.2632 -3.2632 -2.1948 -2.1948 4.1816 4.1816 5.1490 5.1490 5.6167 5.6167 6.4237 6.4237 6.9095 6.9095 7.4028 7.4028 7.9756 7.9756 9.2292 9.2292 9.3285 9.3285 9.4772 9.4772 9.5248 9.5248 9.6427 9.6427 10.1036 10.1036 10.4690 10.4690 11.7187 11.7187 12.5302 12.5302 15.6318 15.6318 15.9672 15.9672 k = 0.3774 0.2179-0.0000 ( 1688 PWs) bands (ev): -3.2076 -3.2076 -2.2003 -2.2003 4.0946 4.0946 5.2260 5.2260 5.5918 5.5918 6.4228 6.4228 6.8623 6.8623 7.3879 7.3879 7.9664 7.9664 9.2362 9.2362 9.3221 9.3221 9.4726 9.4726 9.5139 9.5139 9.6436 9.6436 10.0727 10.0727 10.4507 10.4507 11.7163 11.7163 12.5413 12.5413 15.6181 15.6181 15.9404 15.9404 k = 0.3868 0.2233-0.0000 ( 1688 PWs) bands (ev): -3.1526 -3.1526 -2.2075 -2.2075 4.0125 4.0125 5.3031 5.3031 5.5687 5.5687 6.4217 6.4217 6.8148 6.8148 7.3743 7.3743 7.9575 7.9575 9.2419 9.2419 9.3160 9.3160 9.4667 9.4667 9.5046 9.5046 9.6448 9.6448 10.0424 10.0424 10.4349 10.4349 11.7124 11.7124 12.5519 12.5519 15.6060 15.6060 15.9187 15.9187 k = 0.3962 0.2288-0.0000 ( 1688 PWs) bands (ev): -3.0986 -3.0986 -2.2164 -2.2164 3.9358 3.9358 5.3800 5.3800 5.5473 5.5473 6.4205 6.4205 6.7670 6.7670 7.3621 7.3621 7.9488 7.9488 9.2460 9.2460 9.3104 9.3104 9.4596 9.4596 9.4970 9.4970 9.6463 9.6463 10.0130 10.0130 10.4213 10.4213 11.7075 11.7075 12.5619 12.5619 15.5956 15.5956 15.9017 15.9017 k = 0.4057 0.2342-0.0000 ( 1688 PWs) bands (ev): -3.0456 -3.0456 -2.2272 -2.2272 3.8646 3.8646 5.4566 5.4566 5.5277 5.5277 6.4193 6.4193 6.7186 6.7186 7.3512 7.3512 7.9404 7.9404 9.2483 9.2483 9.3056 9.3056 9.4517 9.4517 9.4909 9.4909 9.6478 9.6478 9.9848 9.9848 10.4098 10.4098 11.7020 11.7020 12.5713 12.5713 15.5868 15.5868 15.8886 15.8886 k = 0.4151 0.2397-0.0000 ( 1690 PWs) bands (ev): -2.9940 -2.9940 -2.2397 -2.2397 3.7993 3.7993 5.5093 5.5093 5.5332 5.5332 6.4179 6.4179 6.6694 6.6694 7.3415 7.3415 7.9325 7.9325 9.2488 9.2488 9.3019 9.3019 9.4436 9.4436 9.4857 9.4857 9.6494 9.6494 9.9582 9.9582 10.4001 10.4001 11.6961 11.6961 12.5799 12.5799 15.5797 15.5797 15.8788 15.8788 k = 0.4245 0.2451-0.0000 ( 1682 PWs) bands (ev): -2.9442 -2.9442 -2.2538 -2.2538 3.7401 3.7401 5.4935 5.4935 5.6083 5.6083 6.4167 6.4167 6.6194 6.6194 7.3330 7.3330 7.9251 7.9251 9.2476 9.2476 9.2995 9.2995 9.4359 9.4359 9.4813 9.4813 9.6511 9.6511 9.9337 9.9337 10.3922 10.3922 11.6902 11.6902 12.5878 12.5878 15.5742 15.5742 15.8719 15.8719 k = 0.4340 0.2505-0.0000 ( 1682 PWs) bands (ev): -2.8965 -2.8965 -2.2695 -2.2695 3.6873 3.6873 5.4793 5.4793 5.6828 5.6828 6.4154 6.4154 6.5683 6.5683 7.3256 7.3256 7.9184 7.9184 9.2449 9.2449 9.2979 9.2979 9.4287 9.4287 9.4775 9.4775 9.6526 9.6526 9.9115 9.9115 10.3857 10.3857 11.6844 11.6844 12.5948 12.5948 15.5702 15.5702 15.8671 15.8671 k = 0.4434 0.2560-0.0000 ( 1684 PWs) bands (ev): -2.8515 -2.8515 -2.2863 -2.2863 3.6411 3.6411 5.4669 5.4669 5.7562 5.7562 6.4142 6.4142 6.5159 6.5159 7.3193 7.3193 7.9125 7.9125 9.2413 9.2413 9.2969 9.2969 9.4223 9.4223 9.4741 9.4741 9.6539 9.6539 9.8917 9.8917 10.3804 10.3804 11.6790 11.6790 12.6010 12.6010 15.5677 15.5677 15.8641 15.8641 k = 0.4528 0.2614-0.0000 ( 1684 PWs) bands (ev): -2.8097 -2.8097 -2.3038 -2.3038 3.6016 3.6016 5.4563 5.4563 5.8283 5.8283 6.4128 6.4128 6.4624 6.4624 7.3141 7.3141 7.9073 7.9073 9.2375 9.2375 9.2963 9.2963 9.4169 9.4169 9.4712 9.4712 9.6551 9.6551 9.8748 9.8748 10.3763 10.3763 11.6742 11.6742 12.6063 12.6063 15.5663 15.5663 15.8624 15.8624 k = 0.4623 0.2669-0.0000 ( 1686 PWs) bands (ev): -2.7721 -2.7721 -2.3213 -2.3213 3.5691 3.5691 5.4477 5.4477 5.8990 5.8990 6.4041 6.4041 6.4150 6.4150 7.3099 7.3099 7.9029 7.9029 9.2338 9.2338 9.2958 9.2958 9.4123 9.4123 9.4686 9.4686 9.6560 9.6560 9.8609 9.8609 10.3731 10.3731 11.6701 11.6701 12.6106 12.6106 15.5660 15.5660 15.8615 15.8615 k = 0.4717 0.2723-0.0000 ( 1690 PWs) bands (ev): -2.7399 -2.7399 -2.3378 -2.3378 3.5436 3.5436 5.4409 5.4409 5.9681 5.9681 6.3497 6.3497 6.4120 6.4120 7.3066 7.3066 7.8995 7.8995 9.2305 9.2305 9.2954 9.2954 9.4088 9.4088 9.4666 9.4666 9.6566 9.6566 9.8500 9.8500 10.3708 10.3708 11.6667 11.6667 12.6140 12.6140 15.5663 15.5663 15.8594 15.8594 k = 0.4811 0.2778-0.0000 ( 1694 PWs) bands (ev): -2.7147 -2.7147 -2.3517 -2.3517 3.5253 3.5253 5.4361 5.4361 6.0352 6.0352 6.2916 6.2916 6.4113 6.4113 7.3043 7.3043 7.8969 7.8969 9.2281 9.2281 9.2951 9.2951 9.4062 9.4062 9.4651 9.4651 9.6571 9.6571 9.8422 9.8422 10.3691 10.3691 11.6642 11.6642 12.6165 12.6165 15.5669 15.5669 15.8441 15.8441 k = 0.4906 0.2832-0.0000 ( 1698 PWs) bands (ev): -2.6984 -2.6984 -2.3612 -2.3612 3.5143 3.5143 5.4332 5.4332 6.0995 6.0995 6.2328 6.2328 6.4109 6.4109 7.3029 7.3029 7.8954 7.8954 9.2265 9.2265 9.2949 9.2949 9.4047 9.4047 9.4643 9.4643 9.6573 9.6573 9.8373 9.8373 10.3682 10.3682 11.6627 11.6627 12.6180 12.6180 15.5674 15.5674 15.8347 15.8347 k = 0.5000 0.2887-0.0000 ( 1698 PWs) bands (ev): -2.6927 -2.6927 -2.3646 -2.3646 3.5107 3.5107 5.4322 5.4322 6.1461 6.1461 6.1880 6.1880 6.4108 6.4108 7.3025 7.3025 7.8949 7.8949 9.2260 9.2260 9.2948 9.2948 9.4042 9.4042 9.4640 9.4640 9.6574 9.6574 9.8358 9.8358 10.3679 10.3679 11.6622 11.6622 12.6185 12.6185 15.5676 15.5676 15.8315 15.8315 k = 0.5000 0.2887-0.0000 ( 1698 PWs) bands (ev): -2.6927 -2.6927 -2.3646 -2.3646 3.5107 3.5107 5.4322 5.4322 6.1461 6.1461 6.1880 6.1880 6.4108 6.4108 7.3025 7.3025 7.8949 7.8949 9.2260 9.2260 9.2948 9.2948 9.4042 9.4042 9.4640 9.4640 9.6574 9.6574 9.8358 9.8358 10.3679 10.3679 11.6622 11.6622 12.6185 12.6185 15.5676 15.5676 15.8315 15.8315 k = 0.4946 0.2980-0.0000 ( 1698 PWs) bands (ev): -2.6922 -2.6922 -2.3643 -2.3643 3.5114 3.5114 5.4316 5.4316 6.1467 6.1467 6.1881 6.1881 6.4114 6.4114 7.2862 7.2862 7.9075 7.9075 9.2263 9.2263 9.2954 9.2954 9.4045 9.4045 9.4642 9.4642 9.6573 9.6573 9.8356 9.8356 10.3693 10.3693 11.6610 11.6610 12.6104 12.6104 15.5790 15.5790 15.8362 15.8362 k = 0.4892 0.3073-0.0000 ( 1694 PWs) bands (ev): -2.6908 -2.6908 -2.3633 -2.3633 3.5136 3.5136 5.4299 5.4299 6.1488 6.1488 6.1884 6.1884 6.4131 6.4131 7.2411 7.2411 7.9415 7.9415 9.2272 9.2272 9.2972 9.2972 9.4056 9.4056 9.4647 9.4647 9.6571 9.6571 9.8351 9.8351 10.3735 10.3735 11.6572 11.6572 12.5865 12.5865 15.6127 15.6127 15.8034 15.8034 k = 0.4839 0.3166-0.0000 ( 1700 PWs) bands (ev): -2.6885 -2.6885 -2.3616 -2.3616 3.5172 3.5172 5.4271 5.4271 6.1520 6.1520 6.1889 6.1889 6.4160 6.4160 7.1750 7.1750 7.9893 7.9893 9.2285 9.2285 9.2999 9.2999 9.4073 9.4073 9.4655 9.4655 9.6566 9.6566 9.8343 9.8343 10.3803 10.3803 11.6508 11.6508 12.5481 12.5481 15.6663 15.6663 15.7391 15.7391 k = 0.4785 0.3259-0.0000 ( 1696 PWs) bands (ev): -2.6852 -2.6852 -2.3594 -2.3594 3.5222 3.5222 5.4231 5.4231 6.1566 6.1566 6.1895 6.1895 6.4200 6.4200 7.0948 7.0948 8.0442 8.0442 9.2303 9.2303 9.3038 9.3038 9.4100 9.4100 9.4666 9.4666 9.6561 9.6561 9.8332 9.8332 10.3898 10.3898 11.6418 11.6418 12.4968 12.4968 15.6515 15.6515 15.7461 15.7461 k = 0.4731 0.3352-0.0000 ( 1690 PWs) bands (ev): -2.6810 -2.6810 -2.3565 -2.3565 3.5286 3.5286 5.4182 5.4182 6.1624 6.1624 6.1904 6.1904 6.4252 6.4252 7.0053 7.0053 8.1018 8.1018 9.2324 9.2324 9.3085 9.3085 9.4137 9.4137 9.4678 9.4678 9.6555 9.6555 9.8320 9.8320 10.4019 10.4019 11.6302 11.6302 12.4348 12.4348 15.5584 15.5584 15.8371 15.8371 k = 0.4677 0.3445-0.0000 ( 1698 PWs) bands (ev): -2.6759 -2.6759 -2.3531 -2.3531 3.5364 3.5364 5.4123 5.4123 6.1694 6.1694 6.1915 6.1915 6.4312 6.4312 6.9096 6.9096 8.1591 8.1591 9.2347 9.2347 9.3135 9.3135 9.4186 9.4186 9.4691 9.4691 9.6548 9.6548 9.8303 9.8303 10.4163 10.4163 11.6158 11.6158 12.3641 12.3641 15.4566 15.4566 15.9445 15.9445 k = 0.4624 0.3539-0.0000 ( 1698 PWs) bands (ev): -2.6699 -2.6699 -2.3492 -2.3492 3.5455 3.5455 5.4054 5.4054 6.1775 6.1775 6.1928 6.1928 6.4380 6.4380 6.8098 6.8098 8.2149 8.2149 9.2372 9.2372 9.3190 9.3190 9.4251 9.4251 9.4703 9.4703 9.6544 9.6544 9.8283 9.8283 10.4328 10.4328 11.5985 11.5985 12.2868 12.2868 15.3501 15.3501 16.0581 16.0581 k = 0.4570 0.3632-0.0000 ( 1698 PWs) bands (ev): -2.6631 -2.6631 -2.3448 -2.3448 3.5558 3.5558 5.3977 5.3977 6.1865 6.1865 6.1945 6.1945 6.4454 6.4454 6.7073 6.7073 8.2682 8.2682 9.2397 9.2397 9.3244 9.3244 9.4334 9.4334 9.4715 9.4715 9.6542 9.6542 9.8260 9.8260 10.4512 10.4512 11.5783 11.5783 12.2047 12.2047 15.2413 15.2413 16.1282 16.1282 k = 0.4516 0.3725-0.0000 ( 1702 PWs) bands (ev): -2.6554 -2.6554 -2.3400 -2.3400 3.5672 3.5672 5.3893 5.3893 6.1947 6.1947 6.1983 6.1983 6.4531 6.4531 6.6034 6.6034 8.3184 8.3184 9.2421 9.2421 9.3296 9.3296 9.4434 9.4434 9.4724 9.4724 9.6545 9.6545 9.8234 9.8234 10.4714 10.4714 11.5551 11.5551 12.1195 12.1195 15.1318 15.1318 16.2055 16.2055 k = 0.4462 0.3818-0.0000 ( 1702 PWs) bands (ev): -2.6468 -2.6468 -2.3348 -2.3348 3.5798 3.5798 5.3802 5.3802 6.1975 6.1975 6.2085 6.2085 6.4586 6.4586 6.5016 6.5016 8.3656 8.3656 9.2443 9.2443 9.3344 9.3344 9.4550 9.4550 9.4731 9.4731 9.6557 9.6557 9.8206 9.8206 10.4929 10.4929 11.5287 11.5287 12.0327 12.0327 15.0230 15.0230 16.2908 16.2908 k = 0.4409 0.3911-0.0000 ( 1702 PWs) bands (ev): -2.6375 -2.6375 -2.3294 -2.3294 3.5933 3.5933 5.3705 5.3705 6.1996 6.1996 6.2204 6.2204 6.3903 6.3903 6.4741 6.4741 8.4095 8.4095 9.2462 9.2462 9.3389 9.3389 9.4669 9.4669 9.4744 9.4744 9.6580 9.6580 9.8176 9.8176 10.5155 10.5155 11.4991 11.4991 11.9455 11.9455 14.9159 14.9159 16.3839 16.3839 k = 0.4355 0.4004-0.0000 ( 1702 PWs) bands (ev): -2.6274 -2.6274 -2.3238 -2.3238 3.6077 3.6077 5.3604 5.3604 6.2010 6.2010 6.2330 6.2330 6.2883 6.2883 6.4821 6.4821 8.4502 8.4502 9.2477 9.2477 9.3430 9.3430 9.4713 9.4713 9.4834 9.4834 9.6620 9.6620 9.8146 9.8146 10.5390 10.5390 11.4662 11.4662 11.8589 11.8589 14.8114 14.8114 16.4845 16.4845 k = 0.4301 0.4097-0.0000 ( 1694 PWs) bands (ev): -2.6165 -2.6165 -2.3180 -2.3180 3.6229 3.6229 5.3498 5.3498 6.1756 6.1756 6.2138 6.2138 6.2463 6.2463 6.4912 6.4912 8.4878 8.4878 9.2488 9.2488 9.3472 9.3472 9.4710 9.4710 9.4966 9.4966 9.6685 9.6685 9.8116 9.8116 10.5630 10.5630 11.4298 11.4298 11.7737 11.7737 14.7103 14.7103 16.5920 16.5920 k = 0.4247 0.4190-0.0000 ( 1698 PWs) bands (ev): -2.6049 -2.6049 -2.3123 -2.3123 3.6386 3.6386 5.3388 5.3388 6.0797 6.0797 6.2119 6.2119 6.2599 6.2599 6.5003 6.5003 8.5225 8.5225 9.2492 9.2492 9.3512 9.3512 9.4698 9.4698 9.5088 9.5088 9.6779 9.6779 9.8088 9.8088 10.5871 10.5871 11.3899 11.3899 11.6907 11.6907 14.6132 14.6132 16.7060 16.7060 k = 0.4194 0.4284-0.0000 ( 1694 PWs) bands (ev): -2.5927 -2.5927 -2.3067 -2.3067 3.6547 3.6547 5.3275 5.3275 5.9815 5.9815 6.2151 6.2151 6.2739 6.2739 6.5094 6.5094 8.5545 8.5545 9.2491 9.2491 9.3555 9.3555 9.4681 9.4681 9.5191 9.5191 9.6905 9.6905 9.8068 9.8068 10.6112 10.6112 11.3466 11.3466 11.6106 11.6106 14.5205 14.5205 16.8259 16.8259 k = 0.4140 0.4377-0.0000 ( 1694 PWs) bands (ev): -2.5798 -2.5798 -2.3014 -2.3014 3.6711 3.6711 5.3160 5.3160 5.8860 5.8860 6.2192 6.2192 6.2879 6.2879 6.5182 6.5182 8.5841 8.5841 9.2483 9.2483 9.3600 9.3600 9.4657 9.4657 9.5270 9.5270 9.7059 9.7059 9.8066 9.8066 10.6349 10.6349 11.2999 11.2999 11.5338 11.5338 14.4328 14.4328 16.9510 16.9510 k = 0.4086 0.4470-0.0000 ( 1690 PWs) bands (ev): -2.5663 -2.5663 -2.2964 -2.2964 3.6874 3.6874 5.3045 5.3045 5.7939 5.7939 6.2239 6.2239 6.3020 6.3020 6.5267 6.5267 8.6112 8.6112 9.2468 9.2468 9.3648 9.3648 9.4629 9.4629 9.5321 9.5321 9.7221 9.7221 9.8101 9.8101 10.6582 10.6582 11.2501 11.2501 11.4607 11.4607 14.3504 14.3504 17.0807 17.0807 k = 0.4032 0.4563-0.0000 ( 1694 PWs) bands (ev): -2.5522 -2.5522 -2.2919 -2.2919 3.7035 3.7035 5.2929 5.2929 5.7060 5.7060 6.2291 6.2291 6.3157 6.3157 6.5348 6.5348 8.6358 8.6358 9.2446 9.2446 9.3699 9.3699 9.4597 9.4597 9.5349 9.5349 9.7351 9.7351 9.8206 9.8206 10.6806 10.6806 11.1973 11.1973 11.3915 11.3915 14.2737 14.2737 17.2141 17.2141 k = 0.3978 0.4656-0.0000 ( 1694 PWs) bands (ev): -2.5376 -2.5376 -2.2880 -2.2880 3.7190 3.7190 5.2812 5.2812 5.6228 5.6228 6.2349 6.2349 6.3290 6.3290 6.5422 6.5422 8.6587 8.6587 9.2418 9.2418 9.3753 9.3753 9.4562 9.4562 9.5360 9.5360 9.7421 9.7421 9.8408 9.8408 10.7023 10.7023 11.1421 11.1421 11.3263 11.3263 14.2027 14.2027 17.3503 17.3503 k = 0.3925 0.4749-0.0000 ( 1694 PWs) bands (ev): -2.5226 -2.5226 -2.2849 -2.2849 3.7338 3.7338 5.2697 5.2697 5.5451 5.5451 6.2413 6.2413 6.3416 6.3416 6.5490 6.5490 8.6796 8.6796 9.2385 9.2385 9.3808 9.3808 9.4527 9.4527 9.5357 9.5357 9.7435 9.7435 9.8697 9.8697 10.7230 10.7230 11.0847 11.0847 11.2652 11.2652 14.1377 14.1377 17.4883 17.4883 k = 0.3871 0.4842-0.0000 ( 1698 PWs) bands (ev): -2.5072 -2.5072 -2.2826 -2.2826 3.7476 3.7476 5.2582 5.2582 5.4732 5.4732 6.2482 6.2482 6.3532 6.3532 6.5552 6.5552 8.6986 8.6986 9.2348 9.2348 9.3864 9.3864 9.4492 9.4492 9.5344 9.5344 9.7415 9.7415 9.9047 9.9047 10.7424 10.7424 11.0255 11.0255 11.2083 11.2083 14.0787 14.0787 17.6269 17.6269 k = 0.3817 0.4935-0.0000 ( 1700 PWs) bands (ev): -2.4914 -2.4914 -2.2815 -2.2815 3.7599 3.7599 5.2469 5.2469 5.4079 5.4079 6.2558 6.2558 6.3636 6.3636 6.5606 6.5606 8.7160 8.7160 9.2310 9.2310 9.3918 9.3918 9.4460 9.4460 9.5324 9.5324 9.7376 9.7376 9.9437 9.9437 10.7608 10.7608 10.9649 10.9649 11.1559 11.1559 14.0258 14.0258 17.7647 17.7647 k = 0.3763 0.5029-0.0000 ( 1708 PWs) bands (ev): -2.4754 -2.4754 -2.2815 -2.2815 3.7707 3.7707 5.2358 5.2358 5.3496 5.3496 6.2640 6.2640 6.3726 6.3726 6.5652 6.5652 8.7315 8.7315 9.2267 9.2267 9.3964 9.3964 9.4435 9.4435 9.5299 9.5299 9.7328 9.7328 9.9860 9.9860 10.7778 10.7778 10.9031 10.9031 11.1082 11.1082 13.9790 13.9790 17.9001 17.9001 k = 0.3710 0.5122-0.0000 ( 1708 PWs) bands (ev): -2.4591 -2.4591 -2.2829 -2.2829 3.7797 3.7797 5.2250 5.2250 5.2988 5.2988 6.2729 6.2729 6.3798 6.3798 6.5691 6.5691 8.7454 8.7454 9.2226 9.2226 9.4000 9.4000 9.4421 9.4421 9.5273 9.5273 9.7276 9.7276 10.0307 10.0307 10.7934 10.7934 10.8409 10.8409 11.0655 11.0655 13.9381 13.9381 18.0313 18.0313 k = 0.3656 0.5215-0.0000 ( 1708 PWs) bands (ev): -2.4426 -2.4426 -2.2859 -2.2859 3.7868 3.7868 5.2146 5.2146 5.2559 5.2559 6.2825 6.2825 6.3849 6.3849 6.5723 6.5723 8.7576 8.7576 9.2185 9.2185 9.4023 9.4023 9.4423 9.4423 9.5249 9.5249 9.7223 9.7223 10.0774 10.0774 10.7768 10.7768 10.8089 10.8089 11.0278 11.0278 13.9031 13.9031 18.1557 18.1557 k = 0.3602 0.5308-0.0000 ( 1704 PWs) bands (ev): -2.4260 -2.4260 -2.2904 -2.2904 3.7920 3.7920 5.2044 5.2044 5.2212 5.2212 6.2929 6.2929 6.3878 6.3878 6.5747 6.5747 8.7681 8.7681 9.2147 9.2147 9.4030 9.4030 9.4439 9.4439 9.5224 9.5224 9.7171 9.7171 10.1259 10.1259 10.7145 10.7145 10.8214 10.8214 10.9956 10.9956 13.8739 13.8739 18.2706 18.2706 k = 0.3548 0.5401-0.0000 ( 1708 PWs) bands (ev): -2.4093 -2.4093 -2.2968 -2.2968 3.7953 3.7953 5.1919 5.1919 5.1973 5.1973 6.3041 6.3041 6.3880 6.3880 6.5765 6.5765 8.7767 8.7767 9.2112 9.2112 9.4024 9.4024 9.4463 9.4463 9.5202 9.5202 9.7123 9.7123 10.1753 10.1753 10.6526 10.6526 10.8324 10.8324 10.9687 10.9687 13.8502 13.8502 18.3724 18.3724 k = 0.3495 0.5494-0.0000 ( 1713 PWs) bands (ev): -2.3927 -2.3927 -2.3052 -2.3052 3.7970 3.7970 5.1745 5.1745 5.1870 5.1870 6.3159 6.3159 6.3854 6.3854 6.5778 6.5778 8.7835 8.7835 9.2082 9.2082 9.4014 9.4014 9.4489 9.4489 9.5184 9.5184 9.7082 9.7082 10.2252 10.2252 10.5925 10.5925 10.8414 10.8414 10.9477 10.9477 13.8321 13.8321 18.4569 18.4569 k = 0.3441 0.5587-0.0000 ( 1713 PWs) bands (ev): -2.3762 -2.3762 -2.3156 -2.3156 3.7976 3.7976 5.1635 5.1635 5.1785 5.1785 6.3285 6.3285 6.3796 6.3796 6.5785 6.5785 8.7885 8.7885 9.2060 9.2060 9.4003 9.4003 9.4512 9.4512 9.5173 9.5173 9.7050 9.7050 10.2740 10.2740 10.5360 10.5360 10.8478 10.8478 10.9329 10.9329 13.8193 13.8193 18.5199 18.5199 k = 0.3387 0.5680-0.0000 ( 1717 PWs) bands (ev): -2.3599 -2.3599 -2.3280 -2.3280 3.7975 3.7975 5.1597 5.1597 5.1710 5.1710 6.3418 6.3418 6.3706 6.3706 6.5789 6.5789 8.7914 8.7914 9.2045 9.2045 9.3994 9.3994 9.4527 9.4527 9.5167 9.5167 9.7029 9.7029 10.3171 10.3171 10.4881 10.4881 10.8511 10.8511 10.9246 10.9246 13.8117 13.8117 18.5579 18.5579 k = 0.3333 0.5774-0.0000 ( 1719 PWs) bands (ev): -2.3466 -2.3466 -2.3400 -2.3400 3.7974 3.7974 5.1612 5.1612 5.1659 5.1659 6.3526 6.3526 6.3612 6.3612 6.5790 6.5790 8.7924 8.7924 9.2040 9.2040 9.3990 9.3990 9.4532 9.4532 9.5165 9.5165 9.7021 9.7021 10.3380 10.3380 10.4655 10.4655 10.8519 10.8519 10.9221 10.9221 13.8092 13.8092 18.5702 18.5702 k = 0.3333 0.5774-0.0000 ( 1719 PWs) bands (ev): -2.3466 -2.3466 -2.3400 -2.3400 3.7974 3.7974 5.1612 5.1612 5.1659 5.1659 6.3526 6.3526 6.3612 6.3612 6.5790 6.5790 8.7924 8.7924 9.2040 9.2040 9.3990 9.3990 9.4532 9.4532 9.5165 9.5165 9.7021 9.7021 10.3380 10.3380 10.4655 10.4655 10.8519 10.8519 10.9221 10.9221 13.8092 13.8092 18.5702 18.5702 k = 0.3279 0.5679-0.0000 ( 1719 PWs) bands (ev): -2.3612 -2.3612 -2.3268 -2.3268 3.7978 3.7978 5.1570 5.1570 5.1737 5.1737 6.3392 6.3392 6.3730 6.3730 6.5789 6.5789 8.7914 8.7914 9.2045 9.2045 9.3994 9.3994 9.4527 9.4527 9.5166 9.5166 9.7029 9.7029 10.3172 10.3172 10.4881 10.4881 10.8517 10.8517 10.9240 10.9240 13.8117 13.8117 18.5589 18.5589 k = 0.3224 0.5584-0.0000 ( 1711 PWs) bands (ev): -2.3812 -2.3812 -2.3110 -2.3110 3.7994 3.7994 5.1519 5.1519 5.1892 5.1892 6.3182 6.3182 6.3893 6.3893 6.5789 6.5789 8.7883 8.7883 9.2063 9.2063 9.4006 9.4006 9.4515 9.4515 9.5166 9.5166 9.7053 9.7053 10.2760 10.2760 10.5350 10.5350 10.8520 10.8520 10.9286 10.9286 13.8193 13.8193 18.5283 18.5283 k = 0.3169 0.5490-0.0000 ( 1707 PWs) bands (ev): -2.4039 -2.4039 -2.2956 -2.2956 3.8030 3.8030 5.1477 5.1477 5.2101 5.2101 6.2927 6.2927 6.4067 6.4067 6.5790 6.5790 8.7831 8.7831 9.2091 9.2091 9.4025 9.4025 9.4497 9.4497 9.5164 9.5164 9.7091 9.7091 10.2317 10.2317 10.5890 10.5890 10.8540 10.8540 10.9346 10.9346 13.8320 13.8320 18.4838 18.4838 k = 0.3115 0.5395-0.0000 ( 1707 PWs) bands (ev): -2.4293 -2.4293 -2.2807 -2.2807 3.8092 3.8092 5.1445 5.1445 5.2356 5.2356 6.2628 6.2628 6.4251 6.4251 6.5793 6.5793 8.7759 8.7759 9.2129 9.2129 9.4049 9.4049 9.4476 9.4476 9.5158 9.5158 9.7140 9.7140 10.1889 10.1889 10.6455 10.6455 10.8580 10.8580 10.9416 10.9416 13.8495 13.8495 18.4299 18.4299 k = 0.3060 0.5300-0.0000 ( 1711 PWs) bands (ev): -2.4573 -2.4573 -2.2663 -2.2663 3.8184 3.8184 5.1424 5.1424 5.2652 5.2652 6.2285 6.2285 6.4445 6.4445 6.5802 6.5802 8.7669 8.7669 9.2177 9.2177 9.4077 9.4077 9.4455 9.4455 9.5149 9.5149 9.7194 9.7194 10.1496 10.1496 10.7030 10.7030 10.8643 10.8643 10.9493 10.9493 13.8720 13.8720 18.3701 18.3701 k = 0.3005 0.5206-0.0000 ( 1707 PWs) bands (ev): -2.4879 -2.4879 -2.2526 -2.2526 3.8312 3.8312 5.1418 5.1418 5.2982 5.2982 6.1899 6.1899 6.4650 6.4650 6.5816 6.5816 8.7561 8.7561 9.2234 9.2234 9.4104 9.4104 9.4440 9.4440 9.5138 9.5138 9.7249 9.7249 10.1149 10.1149 10.7605 10.7605 10.8730 10.8730 10.9579 10.9579 13.8994 13.8994 18.3069 18.3069 k = 0.2951 0.5111-0.0000 ( 1701 PWs) bands (ev): -2.5211 -2.5211 -2.2394 -2.2394 3.8480 3.8480 5.1423 5.1423 5.3341 5.3341 6.1470 6.1470 6.4865 6.4865 6.5838 6.5838 8.7438 8.7438 9.2301 9.2301 9.4125 9.4125 9.4439 9.4439 9.5126 9.5126 9.7292 9.7292 10.0855 10.0855 10.8172 10.8172 10.8840 10.8840 10.9678 10.9678 13.9316 13.9316 18.2417 18.2417 k = 0.2896 0.5016-0.0000 ( 1699 PWs) bands (ev): -2.5568 -2.5568 -2.2271 -2.2271 3.8690 3.8690 5.1444 5.1444 5.3725 5.3725 6.1000 6.1000 6.5091 6.5091 6.5869 6.5869 8.7301 8.7301 9.2374 9.2374 9.4131 9.4131 9.4457 9.4457 9.5116 9.5116 9.7315 9.7315 10.0624 10.0624 10.8702 10.8702 10.8984 10.8984 10.9803 10.9803 13.9687 13.9687 18.1759 18.1759 k = 0.2842 0.4922-0.0000 ( 1703 PWs) bands (ev): -2.5950 -2.5950 -2.2155 -2.2155 3.8946 3.8946 5.1479 5.1479 5.4128 5.4128 6.0490 6.0490 6.5327 6.5327 6.5910 6.5910 8.7150 8.7150 9.2455 9.2455 9.4121 9.4121 9.4497 9.4497 9.5109 9.5109 9.7305 9.7305 10.0462 10.0462 10.9043 10.9043 10.9274 10.9274 10.9986 10.9986 14.0107 14.0107 18.1102 18.1102 k = 0.2787 0.4827-0.0000 ( 1703 PWs) bands (ev): -2.6355 -2.6355 -2.2047 -2.2047 3.9250 3.9250 5.1529 5.1529 5.4548 5.4548 5.9944 5.9944 6.5574 6.5574 6.5963 6.5963 8.6988 8.6988 9.2540 9.2540 9.4097 9.4097 9.4553 9.4553 9.5107 9.5107 9.7262 9.7262 10.0373 10.0373 10.9218 10.9218 10.9616 10.9616 11.0301 11.0301 14.0577 14.0577 18.0451 18.0451 k = 0.2732 0.4732-0.0000 ( 1703 PWs) bands (ev): -2.6782 -2.6782 -2.1949 -2.1949 3.9602 3.9602 5.1596 5.1596 5.4979 5.4979 5.9363 5.9363 6.5833 6.5833 6.6028 6.6028 8.6817 8.6817 9.2628 9.2628 9.4064 9.4064 9.4618 9.4618 9.5113 9.5113 9.7188 9.7188 10.0354 10.0354 10.9382 10.9382 10.9843 10.9843 11.0752 11.0752 14.1095 14.1096 17.9813 17.9813 k = 0.2678 0.4638-0.0000 ( 1703 PWs) bands (ev): -2.7230 -2.7230 -2.1860 -2.1860 4.0003 4.0003 5.1680 5.1680 5.5420 5.5420 5.8750 5.8750 6.6099 6.6099 6.6109 6.6109 8.6637 8.6637 9.2719 9.2719 9.4025 9.4025 9.4686 9.4686 9.5130 9.5130 9.7081 9.7081 10.0397 10.0397 10.9549 10.9549 11.0020 11.0020 11.1260 11.1260 14.1664 14.1664 17.9189 17.9189 k = 0.2623 0.4543-0.0000 ( 1703 PWs) bands (ev): -2.7698 -2.7698 -2.1780 -2.1780 4.0453 4.0453 5.1781 5.1781 5.5866 5.5866 5.8110 5.8110 6.6200 6.6200 6.6383 6.6383 8.6452 8.6452 9.2810 9.2810 9.3981 9.3981 9.4750 9.4750 9.5164 9.5164 9.6955 9.6955 10.0492 10.0492 10.9717 10.9717 11.0190 11.0190 11.1777 11.1777 14.2283 14.2283 17.8582 17.8582 k = 0.2568 0.4448-0.0000 ( 1699 PWs) bands (ev): -2.8184 -2.8184 -2.1710 -2.1710 4.0954 4.0954 5.1900 5.1900 5.6314 5.6314 5.7445 5.7445 6.6310 6.6310 6.6674 6.6674 8.6261 8.6261 9.2902 9.2902 9.3932 9.3932 9.4805 9.4805 9.5218 9.5218 9.6819 9.6819 10.0627 10.0627 10.9886 10.9886 11.0368 11.0368 11.2288 11.2288 14.2953 14.2953 17.7994 17.7994 k = 0.2514 0.4354-0.0000 ( 1699 PWs) bands (ev): -2.8686 -2.8686 -2.1651 -2.1651 4.1503 4.1503 5.2037 5.2037 5.6701 5.6701 5.6819 5.6819 6.6436 6.6436 6.6978 6.6978 8.6066 8.6066 9.2991 9.2991 9.3877 9.3877 9.4846 9.4846 9.5291 9.5291 9.6683 9.6683 10.0792 10.0792 11.0057 11.0057 11.0556 11.0556 11.2783 11.2783 14.3673 14.3673 17.7426 17.7426 k = 0.2459 0.4259-0.0000 ( 1699 PWs) bands (ev): -2.9202 -2.9202 -2.1601 -2.1601 4.2101 4.2101 5.2192 5.2192 5.6042 5.6042 5.7218 5.7218 6.6580 6.6580 6.7292 6.7292 8.5869 8.5869 9.3075 9.3075 9.3816 9.3816 9.4876 9.4876 9.5382 9.5382 9.6553 9.6553 10.0979 10.0979 11.0234 11.0234 11.0756 11.0756 11.3258 11.3258 14.4444 14.4444 17.6879 17.6879 k = 0.2404 0.4164-0.0000 ( 1695 PWs) bands (ev): -2.9732 -2.9732 -2.1562 -2.1562 4.2746 4.2746 5.2366 5.2366 5.5319 5.5319 5.7660 5.7660 6.6742 6.6742 6.7619 6.7619 8.5673 8.5673 9.3152 9.3152 9.3748 9.3748 9.4898 9.4898 9.5484 9.5484 9.6438 9.6438 10.1182 10.1182 11.0418 11.0418 11.0963 11.0963 11.3707 11.3707 14.5266 14.5266 17.6355 17.6355 k = 0.2350 0.4070-0.0000 ( 1711 PWs) bands (ev): -3.0272 -3.0272 -2.1534 -2.1534 4.3438 4.3438 5.2557 5.2557 5.4584 5.4584 5.8095 5.8095 6.6922 6.6922 6.7956 6.7956 8.5473 8.5473 9.3216 9.3216 9.3672 9.3672 9.4914 9.4914 9.5589 9.5589 9.6343 9.6343 10.1394 10.1394 11.0614 11.0614 11.1176 11.1176 11.4127 11.4127 14.6140 14.6140 17.5854 17.5854 k = 0.2295 0.3975-0.0000 ( 1715 PWs) bands (ev): -3.0822 -3.0822 -2.1516 -2.1516 4.4174 4.4174 5.2763 5.2763 5.3840 5.3840 5.8522 5.8522 6.7123 6.7123 6.8305 6.8305 8.5275 8.5275 9.3262 9.3262 9.3601 9.3601 9.4929 9.4929 9.5693 9.5693 9.6277 9.6277 10.1613 10.1613 11.0824 11.0824 11.1392 11.1392 11.4514 11.4514 14.7064 14.7064 17.5376 17.5376 k = 0.2240 0.3881-0.0000 ( 1719 PWs) bands (ev): -3.1380 -3.1380 -2.1508 -2.1508 4.4954 4.4954 5.2934 5.2934 5.3143 5.3143 5.8938 5.8938 6.7343 6.7343 6.8666 6.8666 8.5078 8.5078 9.3263 9.3263 9.3556 9.3556 9.4943 9.4943 9.5778 9.5778 9.6252 9.6252 10.1836 10.1836 11.1050 11.1050 11.1609 11.1609 11.4867 11.4867 14.8039 14.8039 17.4923 17.4923 k = 0.2186 0.3786-0.0000 ( 1715 PWs) bands (ev): -3.1943 -3.1943 -2.1510 -2.1510 4.5776 4.5776 5.2306 5.2306 5.3256 5.3256 5.9343 5.9343 6.7584 6.7584 6.9039 6.9039 8.4884 8.4884 9.3200 9.3200 9.3559 9.3559 9.4958 9.4958 9.5831 9.5831 9.6282 9.6282 10.2061 10.2061 11.1295 11.1295 11.1825 11.1825 11.5181 11.5181 14.9065 14.9065 17.4493 17.4493 k = 0.2131 0.3691-0.0000 ( 1711 PWs) bands (ev): -3.2511 -3.2511 -2.1522 -2.1522 4.6639 4.6639 5.1549 5.1549 5.3513 5.3513 5.9734 5.9734 6.7847 6.7847 6.9424 6.9424 8.4694 8.4694 9.3089 9.3089 9.3592 9.3592 9.4972 9.4972 9.5851 9.5851 9.6366 9.6366 10.2284 10.2284 11.1559 11.1559 11.2040 11.2040 11.5455 11.5455 15.0141 15.0141 17.4088 17.4088 k = 0.2077 0.3597-0.0000 ( 1713 PWs) bands (ev): -3.3082 -3.3082 -2.1544 -2.1544 4.7540 4.7540 5.0788 5.0788 5.3788 5.3788 6.0108 6.0108 6.8131 6.8131 6.9821 6.9821 8.4508 8.4508 9.2951 9.2951 9.3634 9.3634 9.4985 9.4985 9.5854 9.5854 9.6482 9.6482 10.2505 10.2505 11.1843 11.1843 11.2252 11.2252 11.5684 11.5684 15.1267 15.1267 17.3708 17.3708 k = 0.2022 0.3502-0.0000 ( 1709 PWs) bands (ev): -3.3653 -3.3653 -2.1575 -2.1575 4.8477 4.8477 5.0030 5.0030 5.4080 5.4080 6.0466 6.0466 6.8437 6.8437 7.0229 7.0229 8.4327 8.4327 9.2797 9.2797 9.3678 9.3678 9.4998 9.4998 9.5853 9.5853 9.6618 9.6618 10.2722 10.2722 11.2146 11.2146 11.2464 11.2464 11.5867 11.5867 15.2443 15.2443 17.3353 17.3353 k = 0.1967 0.3407-0.0000 ( 1713 PWs) bands (ev): -3.4224 -3.4224 -2.1615 -2.1615 4.9241 4.9241 4.9482 4.9482 5.4386 5.4386 6.0806 6.0806 6.8764 6.8764 7.0648 7.0648 8.4152 8.4152 9.2633 9.2633 9.3720 9.3720 9.5009 9.5009 9.5854 9.5854 9.6761 9.6761 10.2934 10.2934 11.2460 11.2460 11.2682 11.2682 11.6002 11.6002 15.3666 15.3666 17.3022 17.3022 k = 0.1913 0.3313-0.0000 ( 1713 PWs) bands (ev): -3.4793 -3.4793 -2.1663 -2.1663 4.8515 4.8515 5.0465 5.0465 5.4704 5.4704 6.1128 6.1128 6.9115 6.9115 7.1079 7.1079 8.3983 8.3983 9.2462 9.2462 9.3759 9.3759 9.5019 9.5019 9.5859 9.5859 9.6907 9.6907 10.3141 10.3141 11.2756 11.2756 11.2938 11.2938 11.6087 11.6087 15.4938 15.4938 17.2716 17.2716 k = 0.1858 0.3218-0.0000 ( 1713 PWs) bands (ev): -3.5359 -3.5359 -2.1720 -2.1720 4.7773 4.7773 5.1502 5.1502 5.5033 5.5033 6.1431 6.1431 6.9488 6.9488 7.1522 7.1522 8.3821 8.3821 9.2284 9.2284 9.3796 9.3796 9.5028 9.5028 9.5868 9.5868 9.7054 9.7054 10.3341 10.3341 11.2992 11.2992 11.3272 11.3272 11.6121 11.6121 15.6256 15.6256 17.2434 17.2434 k = 0.1803 0.3123-0.0000 ( 1713 PWs) bands (ev): -3.5921 -3.5921 -2.1783 -2.1783 4.7039 4.7039 5.2569 5.2569 5.5372 5.5372 6.1713 6.1713 6.9885 6.9885 7.1976 7.1976 8.3666 8.3666 9.2103 9.2103 9.3829 9.3829 9.5036 9.5036 9.5880 9.5880 9.7199 9.7199 10.3535 10.3535 11.3195 11.3195 11.3658 11.3658 11.6104 11.6104 15.7620 15.7620 17.2175 17.2175 k = 0.1749 0.3029-0.0000 ( 1705 PWs) bands (ev): -3.6476 -3.6476 -2.1854 -2.1854 4.6316 4.6316 5.3665 5.3665 5.5719 5.5719 6.1976 6.1976 7.0304 7.0304 7.2442 7.2442 8.3519 8.3519 9.1922 9.1922 9.3858 9.3858 9.5042 9.5042 9.5895 9.5895 9.7341 9.7341 10.3721 10.3721 11.3389 11.3389 11.4074 11.4074 11.6036 11.6036 15.9029 15.9029 17.1939 17.1939 k = 0.1694 0.2934-0.0000 ( 1707 PWs) bands (ev): -3.7025 -3.7025 -2.1930 -2.1930 4.5604 4.5604 5.4785 5.4785 5.6072 5.6072 6.2219 6.2219 7.0746 7.0746 7.2919 7.2919 8.3380 8.3380 9.1737 9.1737 9.3882 9.3882 9.5048 9.5048 9.5913 9.5913 9.7476 9.7476 10.3899 10.3899 11.3579 11.3579 11.4514 11.4514 11.5915 11.5915 16.0482 16.0482 17.1724 17.1724 k = 0.1639 0.2839-0.0000 ( 1703 PWs) bands (ev): -3.7565 -3.7565 -2.2013 -2.2013 4.4905 4.4905 5.5927 5.5927 5.6433 5.6433 6.2442 6.2442 7.1210 7.1210 7.3407 7.3407 8.3250 8.3250 9.1552 9.1552 9.3903 9.3903 9.5054 9.5054 9.5933 9.5933 9.7604 9.7604 10.4070 10.4070 11.3769 11.3769 11.4973 11.4973 11.5744 11.5744 16.1978 16.1978 17.1528 17.1528 k = 0.1585 0.2745-0.0000 ( 1701 PWs) bands (ev): -3.8096 -3.8096 -2.2101 -2.2101 4.4221 4.4221 5.6792 5.6792 5.7093 5.7093 6.2646 6.2646 7.1696 7.1696 7.3905 7.3905 8.3129 8.3129 9.1368 9.1368 9.3918 9.3918 9.5061 9.5061 9.5953 9.5953 9.7722 9.7722 10.4233 10.4233 11.3963 11.3963 11.5447 11.5447 11.5528 11.5528 16.3515 16.3515 17.1348 17.1348 k = 0.1530 0.2650-0.0000 ( 1705 PWs) bands (ev): -3.8617 -3.8617 -2.2193 -2.2193 4.3552 4.3552 5.7159 5.7159 5.8272 5.8272 6.2832 6.2832 7.2203 7.2203 7.4412 7.4412 8.3017 8.3017 9.1183 9.1183 9.3928 9.3928 9.5068 9.5068 9.5975 9.5975 9.7829 9.7829 10.4387 10.4387 11.4161 11.4161 11.5254 11.5254 11.5946 11.5946 16.5092 16.5092 17.1179 17.1179 k = 0.1475 0.2555-0.0000 ( 1703 PWs) bands (ev): -3.9127 -3.9127 -2.2288 -2.2288 4.2900 4.2900 5.7525 5.7525 5.9464 5.9464 6.3002 6.3002 7.2731 7.2731 7.4931 7.4931 8.2914 8.2914 9.1002 9.1002 9.3932 9.3932 9.5078 9.5078 9.5997 9.5997 9.7922 9.7922 10.4536 10.4536 11.4366 11.4366 11.4943 11.4943 11.6453 11.6453 16.6706 16.6706 17.1012 17.1012 k = 0.1421 0.2461-0.0000 ( 1705 PWs) bands (ev): -3.9625 -3.9625 -2.2387 -2.2387 4.2265 4.2265 5.7889 5.7889 6.0662 6.0662 6.3160 6.3160 7.3279 7.3279 7.5460 7.5460 8.2821 8.2821 9.0824 9.0824 9.3931 9.3931 9.5090 9.5090 9.6019 9.6019 9.7999 9.7999 10.4676 10.4676 11.4515 11.4515 11.4655 11.4655 11.6971 11.6971 16.8350 16.8350 17.0821 17.0821 k = 0.1366 0.2366-0.0000 ( 1705 PWs) bands (ev): -4.0109 -4.0109 -2.2489 -2.2489 4.1649 4.1649 5.8251 5.8251 6.1846 6.1846 6.3325 6.3325 7.3844 7.3844 7.5998 7.5998 8.2738 8.2738 9.0649 9.0649 9.3924 9.3924 9.5106 9.5106 9.6041 9.6041 9.8059 9.8059 10.4808 10.4808 11.4167 11.4167 11.4837 11.4837 11.7498 11.7498 16.9823 16.9823 17.0334 17.0334 k = 0.1311 0.2272-0.0000 ( 1705 PWs) bands (ev): -4.0581 -4.0581 -2.2592 -2.2592 4.1051 4.1051 5.8610 5.8610 6.2889 6.2889 6.3621 6.3621 7.4427 7.4427 7.6545 7.6545 8.2665 8.2665 9.0478 9.0478 9.3914 9.3914 9.5125 9.5125 9.6063 9.6063 9.8100 9.8100 10.4933 10.4933 11.3731 11.3731 11.5085 11.5085 11.8030 11.8030 16.8978 16.8978 17.0458 17.0458 k = 0.1257 0.2177-0.0000 ( 1703 PWs) bands (ev): -4.1037 -4.1037 -2.2696 -2.2696 4.0473 4.0473 5.8964 5.8964 6.3320 6.3320 6.4518 6.4518 7.5025 7.5025 7.7100 7.7100 8.2604 8.2604 9.0309 9.0309 9.3900 9.3900 9.5149 9.5149 9.6085 9.6085 9.8123 9.8123 10.5050 10.5050 11.3256 11.3256 11.5357 11.5357 11.8564 11.8564 16.7887 16.7887 17.0155 17.0155 k = 0.1202 0.2082-0.0000 ( 1707 PWs) bands (ev): -4.1479 -4.1479 -2.2802 -2.2802 3.9916 3.9916 5.9311 5.9311 6.3457 6.3457 6.5690 6.5690 7.5636 7.5636 7.7663 7.7663 8.2554 8.2554 9.0146 9.0146 9.3882 9.3882 9.5174 9.5174 9.6106 9.6106 9.8122 9.8122 10.5161 10.5161 11.2748 11.2748 11.5652 11.5652 11.9098 11.9098 16.6786 16.6786 16.9744 16.9744 k = 0.1148 0.1988-0.0000 ( 1703 PWs) bands (ev): -4.1905 -4.1905 -2.2906 -2.2906 3.9380 3.9380 5.9651 5.9651 6.3543 6.3543 6.6897 6.6897 7.6261 7.6261 7.8234 7.8234 8.2517 8.2517 8.9991 8.9991 9.3862 9.3862 9.5204 9.5204 9.6126 9.6126 9.8101 9.8101 10.5265 10.5265 11.2209 11.2209 11.5972 11.5972 11.9628 11.9628 16.5681 16.5681 16.9188 16.9188 k = 0.1093 0.1893-0.0000 ( 1703 PWs) bands (ev): -4.2315 -4.2315 -2.3011 -2.3011 3.8865 3.8865 5.9983 5.9983 6.3605 6.3605 6.8101 6.8101 7.6893 7.6893 7.8812 7.8812 8.2495 8.2495 8.9839 8.9839 9.3842 9.3842 9.5236 9.5236 9.6146 9.6146 9.8057 9.8057 10.5362 10.5362 11.1644 11.1644 11.6320 11.6320 12.0151 12.0151 16.4574 16.4574 16.8471 16.8471 k = 0.1038 0.1798-0.0000 ( 1703 PWs) bands (ev): -4.2708 -4.2708 -2.3114 -2.3114 3.8373 3.8373 6.0306 6.0306 6.3653 6.3653 6.9293 6.9293 7.7532 7.7532 7.9395 7.9395 8.2488 8.2488 8.9694 8.9694 9.3822 9.3822 9.5271 9.5271 9.6166 9.6166 9.7990 9.7990 10.5452 10.5452 11.1055 11.1055 11.6696 11.6696 12.0664 12.0664 16.3464 16.3464 16.7604 16.7604 k = 0.0984 0.1704-0.0000 ( 1703 PWs) bands (ev): -4.3084 -4.3084 -2.3215 -2.3215 3.7903 3.7903 6.0618 6.0618 6.3688 6.3688 7.0462 7.0462 7.8175 7.8175 7.9983 7.9983 8.2502 8.2502 8.9555 8.9555 9.3805 9.3805 9.5307 9.5307 9.6185 9.6185 9.7901 9.7901 10.5536 10.5536 11.0445 11.0445 11.7102 11.7102 12.1164 12.1164 16.2351 16.2351 16.6620 16.6620 k = 0.0929 0.1609-0.0000 ( 1713 PWs) bands (ev): -4.3441 -4.3441 -2.3314 -2.3314 3.7456 3.7456 6.0918 6.0918 6.3713 6.3713 7.1599 7.1599 7.8819 7.8819 8.0574 8.0574 8.2534 8.2534 8.9422 8.9422 9.3790 9.3790 9.5345 9.5345 9.6201 9.6201 9.7789 9.7789 10.5615 10.5615 10.9818 10.9818 11.7538 11.7538 12.1646 12.1646 16.1237 16.1237 16.5554 16.5554 k = 0.0874 0.1514-0.0000 ( 1713 PWs) bands (ev): -4.3781 -4.3781 -2.3411 -2.3411 3.7033 3.7033 6.1207 6.1207 6.3730 6.3730 7.2694 7.2694 7.9463 7.9463 8.1169 8.1169 8.2593 8.2593 8.9298 8.9298 9.3781 9.3781 9.5386 9.5386 9.6218 9.6218 9.7658 9.7658 10.5687 10.5687 10.9177 10.9177 11.8004 11.8004 12.2110 12.2110 16.0121 16.0121 16.4437 16.4437 k = 0.0820 0.1420-0.0000 ( 1709 PWs) bands (ev): -4.4102 -4.4102 -2.3503 -2.3503 3.6634 3.6634 6.1483 6.1483 6.3740 6.3740 7.3736 7.3736 8.0102 8.0102 8.1764 8.1764 8.2683 8.2683 8.9182 8.9182 9.3779 9.3779 9.5428 9.5428 9.6234 9.6234 9.7508 9.7508 10.5754 10.5754 10.8525 10.8525 11.8500 11.8500 12.2552 12.2552 15.9005 15.9005 16.3294 16.3294 k = 0.0765 0.1325-0.0000 ( 1713 PWs) bands (ev): -4.4403 -4.4403 -2.3593 -2.3593 3.6259 3.6259 6.1746 6.1746 6.3744 6.3744 7.4711 7.4711 8.0733 8.0733 8.2358 8.2358 8.2810 8.2810 8.9073 8.9073 9.3783 9.3783 9.5471 9.5471 9.6248 9.6248 9.7340 9.7340 10.5816 10.5816 10.7865 10.7865 11.9023 11.9023 12.2968 12.2968 15.7891 15.7891 16.2145 16.2145 k = 0.0710 0.1230-0.0000 ( 1717 PWs) bands (ev): -4.4686 -4.4686 -2.3677 -2.3677 3.5909 3.5909 6.1994 6.1994 6.3742 6.3742 7.5606 7.5606 8.1353 8.1353 8.2943 8.2943 8.2985 8.2985 8.8974 8.8974 9.3797 9.3797 9.5514 9.5514 9.6260 9.6260 9.7159 9.7159 10.5872 10.5872 10.7202 10.7202 11.9572 11.9572 12.3357 12.3357 15.6783 15.6783 16.1006 16.1006 k = 0.0656 0.1136-0.0000 ( 1717 PWs) bands (ev): -4.4948 -4.4948 -2.3758 -2.3758 3.5583 3.5583 6.2227 6.2227 6.3738 6.3738 7.6406 7.6406 8.1958 8.1958 8.3198 8.3198 8.3535 8.3535 8.8885 8.8885 9.3822 9.3822 9.5559 9.5559 9.6266 9.6266 9.6970 9.6970 10.5923 10.5923 10.6540 10.6540 12.0143 12.0143 12.3718 12.3718 15.5684 15.5684 15.9891 15.9891 k = 0.0601 0.1041-0.0000 ( 1725 PWs) bands (ev): -4.5191 -4.5191 -2.3833 -2.3833 3.5282 3.5282 6.2443 6.2443 6.3729 6.3729 7.7100 7.7100 8.2542 8.2542 8.3472 8.3472 8.4110 8.4110 8.8806 8.8806 9.3857 9.3857 9.5605 9.5605 9.6261 9.6261 9.6780 9.6780 10.5881 10.5881 10.5970 10.5970 12.0731 12.0731 12.4047 12.4047 15.4600 15.4600 15.8813 15.8813 k = 0.0546 0.0946-0.0000 ( 1723 PWs) bands (ev): -4.5413 -4.5413 -2.3903 -2.3903 3.5007 3.5007 6.2644 6.2644 6.3720 6.3720 7.7683 7.7683 8.3103 8.3103 8.3797 8.3797 8.4674 8.4674 8.8740 8.8740 9.3904 9.3904 9.5652 9.5652 9.6227 9.6227 9.6614 9.6614 10.5231 10.5231 10.6012 10.6012 12.1331 12.1331 12.4344 12.4344 15.3538 15.3538 15.7783 15.7783 k = 0.0492 0.0852-0.0000 ( 1719 PWs) bands (ev): -4.5615 -4.5615 -2.3967 -2.3967 3.4758 3.4758 6.2827 6.2827 6.3709 6.3709 7.8157 7.8157 8.3635 8.3635 8.4164 8.4164 8.5220 8.5220 8.8687 8.8687 9.3962 9.3962 9.5699 9.5699 9.6127 9.6127 9.6512 9.6512 10.4596 10.4596 10.6049 10.6049 12.1936 12.1936 12.4610 12.4610 15.2507 15.2507 15.6814 15.6814 k = 0.0437 0.0757-0.0000 ( 1717 PWs) bands (ev): -4.5797 -4.5797 -2.4025 -2.4025 3.4534 3.4534 6.2994 6.2994 6.3697 6.3697 7.8533 7.8533 8.4131 8.4131 8.4556 8.4556 8.5741 8.5741 8.8649 8.8649 9.4029 9.4029 9.5746 9.5746 9.5961 9.5961 9.6480 9.6480 10.3981 10.3981 10.6082 10.6082 12.2536 12.2536 12.4842 12.4842 15.1518 15.1518 15.5914 15.5914 k = 0.0383 0.0663-0.0000 ( 1717 PWs) bands (ev): -4.5957 -4.5957 -2.4077 -2.4077 3.4337 3.4337 6.3142 6.3142 6.3684 6.3684 7.8822 7.8822 8.4585 8.4585 8.4952 8.4952 8.6229 8.6229 8.8629 8.8629 9.4099 9.4099 9.5759 9.5759 9.5804 9.5804 9.6483 9.6483 10.3393 10.3393 10.6112 10.6112 12.3120 12.3120 12.5043 12.5043 15.0583 15.0583 15.5094 15.5094 k = 0.0328 0.0568-0.0000 ( 1717 PWs) bands (ev): -4.6096 -4.6096 -2.4123 -2.4123 3.4165 3.4165 6.3271 6.3271 6.3673 6.3673 7.9041 7.9041 8.4991 8.4991 8.5332 8.5332 8.6673 8.6673 8.8630 8.8630 9.4169 9.4169 9.5581 9.5581 9.5839 9.5839 9.6502 9.6502 10.2841 10.2841 10.6137 10.6137 12.3674 12.3674 12.5215 12.5215 14.9716 14.9716 15.4363 15.4363 k = 0.0273 0.0473-0.0000 ( 1709 PWs) bands (ev): -4.6214 -4.6214 -2.4161 -2.4161 3.4019 3.4019 6.3382 6.3382 6.3663 6.3663 7.9205 7.9205 8.5344 8.5344 8.5680 8.5680 8.7061 8.7061 8.8657 8.8657 9.4229 9.4229 9.5418 9.5418 9.5879 9.5879 9.6532 9.6532 10.2335 10.2335 10.6158 10.6158 12.4182 12.4182 12.5360 12.5360 14.8936 14.8936 15.3730 15.3730 k = 0.0219 0.0379-0.0000 ( 1709 PWs) bands (ev): -4.6311 -4.6311 -2.4193 -2.4193 3.3900 3.3900 6.3472 6.3472 6.3654 6.3654 7.9326 7.9326 8.5635 8.5635 8.5982 8.5982 8.7377 8.7377 8.8706 8.8706 9.4268 9.4268 9.5289 9.5289 9.5915 9.5915 9.6567 9.6567 10.1888 10.1888 10.6175 10.6175 12.4624 12.4624 12.5484 12.5484 14.8259 14.8259 15.3201 15.3201 k = 0.0164 0.0284-0.0000 ( 1709 PWs) bands (ev): -4.6386 -4.6386 -2.4218 -2.4218 3.3807 3.3807 6.3543 6.3543 6.3647 6.3647 7.9411 7.9411 8.5861 8.5861 8.6227 8.6227 8.7614 8.7614 8.8777 8.8777 9.4281 9.4281 9.5205 9.5205 9.5943 9.5943 9.6605 9.6605 10.1514 10.1514 10.6188 10.6188 12.4976 12.4976 12.5595 12.5595 14.7705 14.7705 15.2783 15.2783 k = 0.0109 0.0189-0.0000 ( 1709 PWs) bands (ev): -4.6440 -4.6440 -2.4236 -2.4236 3.3741 3.3741 6.3592 6.3592 6.3643 6.3643 7.9468 7.9468 8.6021 8.6021 8.6408 8.6408 8.7773 8.7773 8.8852 8.8852 9.4272 9.4272 9.5161 9.5161 9.5963 9.5963 9.6640 9.6640 10.1231 10.1231 10.6197 10.6197 12.5216 12.5216 12.5699 12.5699 14.7294 14.7294 15.2480 15.2480 k = 0.0055 0.0095-0.0000 ( 1709 PWs) bands (ev): -4.6472 -4.6472 -2.4247 -2.4247 3.3701 3.3701 6.3619 6.3619 6.3644 6.3644 7.9501 7.9501 8.6117 8.6117 8.6519 8.6519 8.7861 8.7861 8.8911 8.8911 9.4257 9.4257 9.5145 9.5145 9.5975 9.5975 9.6665 9.6665 10.1052 10.1052 10.6203 10.6203 12.5343 12.5343 12.5785 12.5785 14.7039 14.7039 15.2298 15.2298 k = 0.0000 0.0000 0.0000 ( 1701 PWs) bands (ev): -4.6483 -4.6483 -2.4251 -2.4251 3.3688 3.3688 6.3625 6.3625 6.3647 6.3647 7.9511 7.9511 8.6149 8.6149 8.6557 8.6557 8.7891 8.7891 8.8936 8.8936 9.4250 9.4250 9.5141 9.5141 9.5980 9.5980 9.6674 9.6674 10.0991 10.0991 10.6205 10.6205 12.5381 12.5381 12.5819 12.5819 14.6953 14.6953 15.2236 15.2236 k = 0.0000 0.0000 0.0000 ( 1701 PWs) bands (ev): -4.6483 -4.6483 -2.4251 -2.4251 3.3688 3.3688 6.3625 6.3625 6.3647 6.3647 7.9511 7.9511 8.6149 8.6149 8.6557 8.6557 8.7891 8.7891 8.8936 8.8936 9.4250 9.4250 9.5141 9.5141 9.5980 9.5980 9.6674 9.6674 10.0991 10.0991 10.6205 10.6205 12.5381 12.5381 12.5819 12.5819 14.6953 14.6953 15.2236 15.2236 k = 0.0000 0.0000 0.0107 ( 1701 PWs) bands (ev): -4.6473 -4.6473 -2.4276 -2.4276 3.3730 3.3730 6.3633 6.3633 6.3656 6.3656 7.9508 7.9508 8.6138 8.6138 8.6562 8.6562 8.7841 8.7841 8.8832 8.8832 9.4292 9.4292 9.5109 9.5109 9.6039 9.6039 9.6770 9.6770 10.0941 10.0941 10.6185 10.6185 12.5371 12.5371 12.5808 12.5808 14.6980 14.6980 15.2290 15.2290 k = 0.0000 0.0000 0.0214 ( 1701 PWs) bands (ev): -4.6441 -4.6441 -2.4351 -2.4351 3.3855 3.3855 6.3660 6.3660 6.3682 6.3682 7.9499 7.9499 8.6100 8.6100 8.6577 8.6577 8.7703 8.7703 8.8542 8.8542 9.4389 9.4389 9.5029 9.5029 9.6225 9.6225 9.7036 9.7036 10.0792 10.0792 10.6123 10.6123 12.5341 12.5341 12.5776 12.5776 14.7059 14.7059 15.2450 15.2450 k = 0.0000 0.0000 0.0321 ( 1719 PWs) bands (ev): -4.6389 -4.6389 -2.4475 -2.4475 3.4062 3.4062 6.3703 6.3703 6.3725 6.3725 7.9478 7.9478 8.6016 8.6016 8.6602 8.6602 8.7505 8.7505 8.8105 8.8105 9.4484 9.4484 9.4929 9.4929 9.6550 9.6550 9.7428 9.7428 10.0548 10.0548 10.6020 10.6020 12.5290 12.5290 12.5723 12.5723 14.7191 14.7191 15.2713 15.2713 k = 0.0000 0.0000 0.0428 ( 1719 PWs) bands (ev): -4.6315 -4.6315 -2.4647 -2.4647 3.4351 3.4351 6.3764 6.3764 6.3786 6.3786 7.9452 7.9452 8.5857 8.5857 8.6637 8.6637 8.7303 8.7303 8.7573 8.7573 9.4541 9.4541 9.4826 9.4826 9.7007 9.7007 9.7913 9.7913 10.0216 10.0216 10.5879 10.5879 12.5219 12.5219 12.5648 12.5648 14.7374 14.7374 15.3073 15.3073 k = 0.0000 0.0000 0.0536 ( 1725 PWs) bands (ev): -4.6220 -4.6220 -2.4865 -2.4865 3.4718 3.4718 6.3843 6.3843 6.3864 6.3864 7.9414 7.9414 8.5588 8.5588 8.6681 8.6681 8.6975 8.6975 8.7147 8.7147 9.4555 9.4555 9.4722 9.4722 9.7563 9.7563 9.8468 9.8468 9.9810 9.9810 10.5698 10.5698 12.5128 12.5128 12.5552 12.5552 14.7607 14.7607 15.3524 15.3524 k = 0.0000 0.0000 0.0643 ( 1725 PWs) bands (ev): -4.6105 -4.6105 -2.5127 -2.5127 3.5164 3.5164 6.3939 6.3939 6.3959 6.3959 7.9360 7.9360 8.5204 8.5204 8.6337 8.6337 8.6735 8.6735 8.7062 8.7062 9.4531 9.4531 9.4617 9.4617 9.8171 9.8171 9.9076 9.9076 9.9355 9.9355 10.5482 10.5482 12.5017 12.5017 12.5434 12.5434 14.7889 14.7889 15.4058 15.4058 k = 0.0000 0.0000 0.0750 ( 1737 PWs) bands (ev): -4.5969 -4.5969 -2.5431 -2.5431 3.5683 3.5683 6.4051 6.4051 6.4071 6.4071 7.9287 7.9287 8.4728 8.4728 8.5671 8.5671 8.6797 8.6797 8.7034 8.7034 9.4478 9.4478 9.4508 9.4508 9.8548 9.8548 9.9122 9.9122 9.9723 9.9723 10.5231 10.5231 12.4885 12.4885 12.5294 12.5294 14.8218 14.8218 15.4665 15.4665 k = 0.0000 0.0000 0.0857 ( 1737 PWs) bands (ev): -4.5812 -4.5812 -2.5774 -2.5774 3.6274 3.6274 6.4182 6.4182 6.4201 6.4201 7.9187 7.9187 8.4190 8.4190 8.4990 8.4990 8.6871 8.6871 8.7050 8.7050 9.4396 9.4396 9.4402 9.4402 9.8106 9.8106 9.9700 9.9700 10.0402 10.0402 10.4948 10.4948 12.4733 12.4733 12.5133 12.5133 14.8592 14.8592 15.5334 15.5334 k = 0.0000 0.0000 0.0964 ( 1737 PWs) bands (ev): -4.5634 -4.5634 -2.6153 -2.6153 3.6934 3.6934 6.4330 6.4330 6.4348 6.4348 7.9055 7.9055 8.3612 8.3612 8.4300 8.4300 8.6954 8.6954 8.7096 8.7096 9.4277 9.4277 9.4305 9.4305 9.7510 9.7510 10.0427 10.0427 10.1105 10.1105 10.4634 10.4634 12.4560 12.4560 12.4950 12.4950 14.9010 14.9010 15.6054 15.6054 k = 0.0000 0.0000 0.1071 ( 1737 PWs) bands (ev): -4.5436 -4.5436 -2.6566 -2.6566 3.7659 3.7659 6.4495 6.4495 6.4512 6.4512 7.8882 7.8882 8.3008 8.3008 8.3605 8.3605 8.7047 8.7047 8.7162 8.7162 9.4151 9.4151 9.4188 9.4188 9.6889 9.6889 10.1185 10.1185 10.1826 10.1826 10.4291 10.4291 12.4367 12.4367 12.4746 12.4746 14.9469 14.9469 15.6815 15.6815 k = 0.0000 0.0000 0.1178 ( 1725 PWs) bands (ev): -4.5218 -4.5218 -2.7008 -2.7008 3.8446 3.8446 6.4678 6.4678 6.4693 6.4693 7.8662 7.8662 8.2388 8.2388 8.2910 8.2910 8.7149 8.7149 8.7245 8.7245 9.4021 9.4021 9.4053 9.4053 9.6273 9.6273 10.1959 10.1959 10.2561 10.2561 10.3923 10.3923 12.4153 12.4153 12.4519 12.4519 14.9966 14.9966 15.7604 15.7604 k = 0.0000 0.0000 0.1285 ( 1725 PWs) bands (ev): -4.4980 -4.4980 -2.7477 -2.7477 3.9292 3.9292 6.4877 6.4877 6.4891 6.4891 7.8380 7.8380 8.1757 8.1757 8.2216 8.2216 8.7260 8.7260 8.7341 8.7341 9.3880 9.3880 9.3891 9.3891 9.5685 9.5685 10.2741 10.2741 10.3305 10.3305 10.3531 10.3531 12.3917 12.3917 12.4271 12.4271 15.0500 15.0500 15.8409 15.8409 k = 0.0000 0.0000 0.1393 ( 1731 PWs) bands (ev): -4.4722 -4.4722 -2.7971 -2.7971 4.0192 4.0192 6.5094 6.5094 6.5106 6.5106 7.8026 7.8026 8.1120 8.1120 8.1525 8.1525 8.7379 8.7379 8.7449 8.7449 9.3701 9.3701 9.3731 9.3731 9.5147 9.5147 10.3118 10.3118 10.3528 10.3528 10.4055 10.4055 12.3661 12.3661 12.4000 12.4000 15.1068 15.1068 15.9218 15.9218 k = 0.0000 0.0000 0.1500 ( 1731 PWs) bands (ev): -4.4444 -4.4444 -2.8486 -2.8486 4.1145 4.1145 6.5328 6.5328 6.5338 6.5338 7.7597 7.7597 8.0481 8.0481 8.0840 8.0840 8.7507 8.7507 8.7568 8.7568 9.3476 9.3476 9.3575 9.3575 9.4684 9.4684 10.2687 10.2687 10.4318 10.4318 10.4809 10.4809 12.3384 12.3384 12.3707 12.3707 15.1668 15.1668 16.0018 16.0018 k = 0.0000 0.0000 0.1607 ( 1731 PWs) bands (ev): -4.4147 -4.4147 -2.9019 -2.9019 4.2145 4.2145 6.5578 6.5578 6.5587 6.5587 7.7081 7.7081 7.9844 7.9844 8.0161 8.0161 8.7642 8.7642 8.7696 8.7696 9.3216 9.3216 9.3412 9.3412 9.4309 9.4309 10.2239 10.2239 10.5109 10.5109 10.5565 10.5565 12.3085 12.3085 12.3392 12.3392 15.2296 15.2296 16.0796 16.0796 k = 0.0000 0.0000 0.1714 ( 1731 PWs) bands (ev): -4.3831 -4.3831 -2.9567 -2.9567 4.3190 4.3190 6.5845 6.5845 6.5852 6.5852 7.6472 7.6472 7.9209 7.9209 7.9489 7.9489 8.7786 8.7786 8.7834 8.7834 9.2940 9.2940 9.3242 9.3242 9.4015 9.4015 10.1778 10.1778 10.5898 10.5898 10.6322 10.6322 12.2765 12.2765 12.3055 12.3055 15.2950 15.2950 16.1538 16.1538 k = 0.0000 0.0000 0.1821 ( 1725 PWs) bands (ev): -4.3496 -4.3496 -3.0128 -3.0128 4.4277 4.4277 6.6129 6.6129 6.6133 6.6133 7.5774 7.5774 7.8578 7.8578 7.8827 7.8827 8.7937 8.7937 8.7979 8.7979 9.2675 9.2675 9.3065 9.3065 9.3785 9.3785 10.1305 10.1305 10.6684 10.6684 10.7076 10.7076 12.2424 12.2424 12.2696 12.2696 15.3628 15.3628 16.2231 16.2231 k = 0.0000 0.0000 0.1928 ( 1701 PWs) bands (ev): -4.3143 -4.3143 -3.0699 -3.0699 4.5402 4.5402 6.6432 6.6432 6.6433 6.6433 7.4978 7.4978 7.7954 7.7954 7.8175 7.8175 8.8098 8.8098 8.8136 8.8136 9.2441 9.2441 9.2884 9.2884 9.3600 9.3600 10.0829 10.0829 10.7466 10.7466 10.7827 10.7827 12.2063 12.2063 12.2315 12.2315 15.4326 15.4326 16.2861 16.2861 k = 0.0000 0.0000 0.2035 ( 1695 PWs) bands (ev): -4.2771 -4.2771 -3.1278 -3.1278 4.6563 4.6563 6.6748 6.6748 6.6749 6.6749 7.4092 7.4092 7.7338 7.7338 7.7534 7.7534 8.8264 8.8264 8.8298 8.8298 9.2245 9.2245 9.2696 9.2696 9.3451 9.3451 10.0341 10.0341 10.8243 10.8243 10.8573 10.8573 12.1680 12.1680 12.1912 12.1912 15.5041 15.5041 16.3416 16.3416 k = 0.0000 0.0000 0.2142 ( 1695 PWs) bands (ev): -4.2382 -4.2382 -3.1863 -3.1863 4.7755 4.7755 6.7078 6.7078 6.7083 6.7083 7.3125 7.3125 7.6728 7.6728 7.6904 7.6904 8.8435 8.8435 8.8466 8.8466 9.2082 9.2082 9.2503 9.2503 9.3343 9.3343 9.9849 9.9849 10.9012 10.9012 10.9313 10.9313 12.1275 12.1275 12.1487 12.1487 15.5770 15.5770 16.3883 16.3883 k = 0.0000 0.0000 0.2250 ( 1701 PWs) bands (ev): -4.1975 -4.1975 -3.2451 -3.2451 4.8977 4.8977 6.7424 6.7424 6.7432 6.7432 7.2083 7.2083 7.6127 7.6127 7.6284 7.6284 8.8610 8.8610 8.8640 8.8640 9.1939 9.1939 9.2305 9.2305 9.3281 9.3281 9.9355 9.9355 10.9773 10.9773 11.0045 11.0045 12.0849 12.0849 12.1039 12.1039 15.6510 15.6510 16.4252 16.4252 k = 0.0000 0.0000 0.2357 ( 1701 PWs) bands (ev): -4.1552 -4.1552 -3.3041 -3.3041 5.0225 5.0225 6.7786 6.7786 6.7797 6.7797 7.0976 7.0976 7.5536 7.5536 7.5676 7.5676 8.8793 8.8793 8.8820 8.8820 9.1804 9.1804 9.2103 9.2103 9.3277 9.3277 9.8861 9.8861 11.0524 11.0524 11.0768 11.0768 12.0403 12.0403 12.0571 12.0571 15.7256 15.7256 16.4514 16.4514 k = 0.0000 0.0000 0.2464 ( 1695 PWs) bands (ev): -4.1112 -4.1112 -3.3631 -3.3631 5.1496 5.1496 6.8163 6.8163 6.8179 6.8179 6.9815 6.9815 7.4956 7.4956 7.5082 7.5082 8.8980 8.8980 8.9006 8.9006 9.1663 9.1663 9.1899 9.1899 9.3337 9.3337 9.8369 9.8369 11.1267 11.1267 11.1483 11.1483 11.9936 11.9936 12.0081 12.0081 15.8004 15.8004 16.4663 16.4663 k = 0.0000 0.0000 0.2571 ( 1695 PWs) bands (ev): -4.0657 -4.0657 -3.4219 -3.4219 5.2787 5.2787 6.8556 6.8556 6.8576 6.8576 6.8606 6.8606 7.4387 7.4387 7.4499 7.4499 8.9172 8.9172 8.9197 8.9197 9.1508 9.1508 9.1691 9.1691 9.3459 9.3459 9.7883 9.7883 11.1997 11.1997 11.2185 11.2185 11.9449 11.9449 11.9571 11.9571 15.8749 15.8749 16.4699 16.4699 k = 0.0000 0.0000 0.2678 ( 1683 PWs) bands (ev): -4.0186 -4.0186 -3.4803 -3.4803 5.4095 5.4095 6.7359 6.7359 6.8965 6.8965 6.8990 6.8990 7.3830 7.3830 7.3930 7.3930 8.9368 8.9368 8.9393 8.9393 9.1343 9.1343 9.1484 9.1484 9.3641 9.3641 9.7403 9.7403 11.2715 11.2715 11.2876 11.2876 11.8942 11.8942 11.9040 11.9040 15.9485 15.9485 16.4622 16.4622 k = 0.0000 0.0000 0.2785 ( 1682 PWs) bands (ev): -3.9700 -3.9700 -3.5383 -3.5383 5.5418 5.5418 6.6081 6.6081 6.9388 6.9388 6.9418 6.9418 7.3284 7.3284 7.3373 7.3373 8.9566 8.9566 8.9593 8.9593 9.1163 9.1163 9.1272 9.1272 9.3876 9.3876 9.6934 9.6934 11.3421 11.3421 11.3554 11.3554 11.8415 11.8415 11.8488 11.8488 16.0207 16.0207 16.4437 16.4437 k = 0.0000 0.0000 0.2892 ( 1688 PWs) bands (ev): -3.9201 -3.9201 -3.5956 -3.5956 5.6751 5.6751 6.4779 6.4779 6.9826 6.9826 6.9861 6.9861 7.2749 7.2749 7.2829 7.2829 8.9767 8.9767 8.9796 8.9796 9.0973 9.0973 9.1058 9.1058 9.4154 9.4154 9.6476 9.6476 11.4111 11.4111 11.4218 11.4218 11.7868 11.7868 11.7917 11.7917 16.0907 16.0907 16.4152 16.4152 k = 0.0000 0.0000 0.2999 ( 1688 PWs) bands (ev): -3.8688 -3.8688 -3.6522 -3.6522 5.8092 5.8092 6.3458 6.3458 7.0278 7.0278 7.0319 7.0319 7.2228 7.2228 7.2299 7.2299 8.9970 8.9970 9.0002 9.0002 9.0778 9.0778 9.0845 9.0845 9.4472 9.4472 9.6033 9.6033 11.4787 11.4787 11.4868 11.4868 11.7303 11.7303 11.7327 11.7327 16.1577 16.1577 16.3776 16.3776 k = 0.0000 0.0000 0.3107 ( 1688 PWs) bands (ev): -3.8163 -3.8163 -3.7079 -3.7079 5.9437 5.9437 6.2124 6.2124 7.0745 7.0745 7.0792 7.0792 7.1720 7.1720 7.1782 7.1782 9.0173 9.0173 9.0210 9.0210 9.0579 9.0579 9.0633 9.0633 9.4823 9.4823 9.5608 9.5608 11.5448 11.5448 11.5502 11.5502 11.6718 11.6718 11.6720 11.6720 16.2209 16.2209 16.3319 16.3319 k = 0.0000 0.0000 0.3214 ( 1688 PWs) bands (ev): -3.7626 -3.7626 -3.7626 -3.7626 6.0783 6.0783 6.0783 6.0783 7.1226 7.1226 7.1226 7.1226 7.1280 7.1280 7.1280 7.1280 9.0377 9.0377 9.0377 9.0377 9.0421 9.0421 9.0421 9.0421 9.5203 9.5203 9.5203 9.5203 11.6092 11.6092 11.6092 11.6092 11.6119 11.6119 11.6119 11.6119 16.2793 16.2793 16.2793 16.2793 k = 0.0000 0.0000 0.3214 ( 1688 PWs) bands (ev): -3.7626 -3.7626 -3.7626 -3.7626 6.0783 6.0783 6.0783 6.0783 7.1226 7.1226 7.1226 7.1226 7.1280 7.1280 7.1280 7.1280 9.0377 9.0377 9.0377 9.0377 9.0421 9.0421 9.0421 9.0421 9.5203 9.5203 9.5203 9.5203 11.6092 11.6092 11.6092 11.6092 11.6119 11.6119 11.6119 11.6119 16.2793 16.2793 16.2793 16.2793 k = 0.0094 0.0054 0.3214 ( 1688 PWs) bands (ev): -3.7618 -3.7618 -3.7618 -3.7618 6.0768 6.0768 6.0768 6.0768 7.1222 7.1222 7.1222 7.1222 7.1277 7.1277 7.1277 7.1277 9.0361 9.0361 9.0361 9.0361 9.0434 9.0434 9.0434 9.0434 9.5216 9.5216 9.5216 9.5216 11.6055 11.6055 11.6055 11.6055 11.6111 11.6111 11.6111 11.6111 16.2845 16.2845 16.2845 16.2845 k = 0.0189 0.0109 0.3214 ( 1688 PWs) bands (ev): -3.7591 -3.7591 -3.7591 -3.7591 6.0723 6.0723 6.0723 6.0723 7.1210 7.1210 7.1210 7.1210 7.1268 7.1268 7.1268 7.1268 9.0330 9.0330 9.0330 9.0330 9.0457 9.0457 9.0457 9.0457 9.5255 9.5255 9.5255 9.5255 11.5941 11.5941 11.5941 11.5941 11.6091 11.6091 11.6091 11.6091 16.2997 16.2997 16.2997 16.2997 k = 0.0283 0.0163 0.3214 ( 1688 PWs) bands (ev): -3.7548 -3.7548 -3.7548 -3.7548 6.0648 6.0648 6.0648 6.0648 7.1190 7.1190 7.1190 7.1190 7.1253 7.1253 7.1253 7.1253 9.0293 9.0293 9.0293 9.0293 9.0479 9.0479 9.0479 9.0479 9.5320 9.5320 9.5320 9.5320 11.5754 11.5754 11.5754 11.5754 11.6058 11.6058 11.6058 11.6058 16.3247 16.3247 16.3247 16.3247 k = 0.0377 0.0218 0.3214 ( 1686 PWs) bands (ev): -3.7487 -3.7487 -3.7487 -3.7487 6.0542 6.0542 6.0542 6.0542 7.1162 7.1162 7.1162 7.1162 7.1234 7.1234 7.1234 7.1234 9.0251 9.0251 9.0251 9.0251 9.0501 9.0501 9.0501 9.0501 9.5410 9.5410 9.5410 9.5410 11.5497 11.5497 11.5497 11.5497 11.6013 11.6013 11.6013 11.6013 16.3587 16.3587 16.3587 16.3587 k = 0.0472 0.0272 0.3214 ( 1690 PWs) bands (ev): -3.7409 -3.7409 -3.7409 -3.7409 6.0405 6.0405 6.0405 6.0405 7.1126 7.1126 7.1126 7.1126 7.1210 7.1210 7.1210 7.1210 9.0203 9.0203 9.0203 9.0203 9.0521 9.0521 9.0521 9.0521 9.5524 9.5524 9.5524 9.5524 11.5176 11.5176 11.5176 11.5176 11.5954 11.5954 11.5954 11.5954 16.4007 16.4007 16.4007 16.4007 k = 0.0566 0.0327 0.3214 ( 1686 PWs) bands (ev): -3.7313 -3.7313 -3.7313 -3.7313 6.0237 6.0237 6.0237 6.0237 7.1085 7.1085 7.1085 7.1085 7.1183 7.1183 7.1183 7.1183 9.0151 9.0151 9.0151 9.0151 9.0542 9.0542 9.0542 9.0542 9.5662 9.5662 9.5662 9.5662 11.4796 11.4796 11.4796 11.4796 11.5884 11.5884 11.5884 11.5884 16.4495 16.4495 16.4495 16.4495 k = 0.0660 0.0381 0.3214 ( 1694 PWs) bands (ev): -3.7201 -3.7201 -3.7201 -3.7201 6.0037 6.0037 6.0037 6.0037 7.1038 7.1038 7.1038 7.1038 7.1149 7.1149 7.1149 7.1149 9.0091 9.0091 9.0091 9.0091 9.0562 9.0562 9.0562 9.0562 9.5823 9.5823 9.5823 9.5823 11.4365 11.4365 11.4365 11.4365 11.5801 11.5801 11.5801 11.5801 16.5033 16.5033 16.5033 16.5033 k = 0.0755 0.0436 0.3214 ( 1692 PWs) bands (ev): -3.7072 -3.7072 -3.7072 -3.7072 5.9804 5.9804 5.9804 5.9804 7.0988 7.0988 7.0988 7.0988 7.1113 7.1113 7.1113 7.1113 9.0026 9.0026 9.0026 9.0026 9.0584 9.0584 9.0584 9.0584 9.6005 9.6005 9.6005 9.6005 11.3891 11.3891 11.3891 11.3891 11.5705 11.5705 11.5705 11.5705 16.5600 16.5600 16.5600 16.5600 k = 0.0849 0.0490 0.3214 ( 1692 PWs) bands (ev): -3.6927 -3.6927 -3.6927 -3.6927 5.9539 5.9539 5.9539 5.9539 7.0936 7.0936 7.0936 7.0936 7.1073 7.1073 7.1073 7.1073 8.9954 8.9954 8.9954 8.9954 9.0606 9.0606 9.0606 9.0606 9.6207 9.6207 9.6207 9.6207 11.3380 11.3380 11.3380 11.3380 11.5599 11.5599 11.5599 11.5599 16.6166 16.6166 16.6166 16.6166 k = 0.0943 0.0545 0.3214 ( 1692 PWs) bands (ev): -3.6765 -3.6765 -3.6765 -3.6765 5.9241 5.9241 5.9241 5.9241 7.0883 7.0883 7.0883 7.0883 7.1028 7.1028 7.1028 7.1028 8.9875 8.9875 8.9875 8.9875 9.0631 9.0631 9.0631 9.0631 9.6427 9.6427 9.6427 9.6427 11.2840 11.2840 11.2840 11.2840 11.5481 11.5481 11.5481 11.5481 16.6697 16.6697 16.6697 16.6697 k = 0.1038 0.0599 0.3214 ( 1696 PWs) bands (ev): -3.6587 -3.6587 -3.6587 -3.6587 5.8910 5.8910 5.8910 5.8910 7.0829 7.0829 7.0829 7.0829 7.0981 7.0981 7.0981 7.0981 8.9788 8.9788 8.9788 8.9788 9.0657 9.0657 9.0657 9.0657 9.6663 9.6663 9.6663 9.6663 11.2280 11.2280 11.2280 11.2280 11.5352 11.5352 11.5352 11.5352 16.7148 16.7148 16.7148 16.7148 k = 0.1132 0.0654 0.3214 ( 1692 PWs) bands (ev): -3.6393 -3.6393 -3.6393 -3.6393 5.8546 5.8546 5.8546 5.8546 7.0775 7.0775 7.0775 7.0775 7.0931 7.0931 7.0931 7.0931 8.9695 8.9695 8.9695 8.9695 9.0688 9.0688 9.0688 9.0688 9.6914 9.6914 9.6914 9.6914 11.1706 11.1706 11.1706 11.1706 11.5212 11.5212 11.5212 11.5212 16.7471 16.7471 16.7471 16.7471 k = 0.1226 0.0708 0.3214 ( 1696 PWs) bands (ev): -3.6184 -3.6184 -3.6184 -3.6184 5.8149 5.8149 5.8149 5.8149 7.0720 7.0720 7.0720 7.0720 7.0879 7.0879 7.0879 7.0879 8.9595 8.9595 8.9595 8.9595 9.0721 9.0721 9.0721 9.0721 9.7175 9.7175 9.7175 9.7175 11.1127 11.1127 11.1127 11.1127 11.5062 11.5062 11.5062 11.5062 16.7624 16.7624 16.7624 16.7624 k = 0.1321 0.0763 0.3214 ( 1696 PWs) bands (ev): -3.5960 -3.5960 -3.5960 -3.5960 5.7722 5.7722 5.7722 5.7722 7.0663 7.0663 7.0663 7.0663 7.0828 7.0828 7.0828 7.0828 8.9489 8.9489 8.9489 8.9489 9.0758 9.0758 9.0758 9.0758 9.7445 9.7445 9.7445 9.7445 11.0549 11.0549 11.0549 11.0549 11.4903 11.4903 11.4903 11.4903 16.7582 16.7582 16.7582 16.7582 k = 0.1415 0.0817 0.3214 ( 1704 PWs) bands (ev): -3.5722 -3.5722 -3.5722 -3.5722 5.7263 5.7263 5.7263 5.7263 7.0602 7.0602 7.0602 7.0602 7.0777 7.0777 7.0777 7.0777 8.9376 8.9376 8.9376 8.9376 9.0798 9.0798 9.0798 9.0798 9.7721 9.7721 9.7721 9.7721 10.9981 10.9981 10.9981 10.9981 11.4734 11.4734 11.4734 11.4734 16.7346 16.7346 16.7346 16.7346 k = 0.1509 0.0871 0.3214 ( 1704 PWs) bands (ev): -3.5469 -3.5469 -3.5469 -3.5469 5.6775 5.6775 5.6775 5.6775 7.0536 7.0536 7.0536 7.0536 7.0731 7.0731 7.0731 7.0731 8.9259 8.9259 8.9259 8.9259 9.0844 9.0844 9.0844 9.0844 9.7998 9.7998 9.7998 9.7998 10.9429 10.9429 10.9429 10.9429 11.4556 11.4556 11.4556 11.4556 16.6942 16.6942 16.6942 16.6942 k = 0.1604 0.0926 0.3214 ( 1708 PWs) bands (ev): -3.5203 -3.5203 -3.5203 -3.5203 5.6259 5.6259 5.6259 5.6259 7.0465 7.0465 7.0465 7.0465 7.0688 7.0688 7.0688 7.0688 8.9137 8.9137 8.9137 8.9137 9.0895 9.0895 9.0895 9.0895 9.8272 9.8272 9.8272 9.8272 10.8901 10.8901 10.8901 10.8901 11.4370 11.4370 11.4370 11.4370 16.6406 16.6406 16.6406 16.6406 k = 0.1698 0.0980 0.3214 ( 1708 PWs) bands (ev): -3.4923 -3.4923 -3.4923 -3.4923 5.5716 5.5716 5.5716 5.5716 7.0388 7.0388 7.0388 7.0388 7.0648 7.0648 7.0648 7.0648 8.9012 8.9012 8.9012 8.9012 9.0952 9.0952 9.0952 9.0952 9.8538 9.8538 9.8538 9.8538 10.8404 10.8404 10.8404 10.8404 11.4175 11.4175 11.4175 11.4175 16.5771 16.5771 16.5771 16.5771 k = 0.1792 0.1035 0.3214 ( 1708 PWs) bands (ev): -3.4632 -3.4632 -3.4632 -3.4632 5.5148 5.5148 5.5148 5.5148 7.0306 7.0306 7.0306 7.0306 7.0612 7.0612 7.0612 7.0612 8.8884 8.8884 8.8884 8.8884 9.1014 9.1014 9.1014 9.1014 9.8790 9.8790 9.8790 9.8790 10.7948 10.7948 10.7948 10.7948 11.3974 11.3974 11.3974 11.3974 16.5067 16.5067 16.5067 16.5067 k = 0.1887 0.1089 0.3214 ( 1696 PWs) bands (ev): -3.4328 -3.4328 -3.4328 -3.4328 5.4557 5.4557 5.4557 5.4557 7.0219 7.0219 7.0219 7.0219 7.0578 7.0578 7.0578 7.0578 8.8756 8.8756 8.8756 8.8756 9.1084 9.1084 9.1084 9.1084 9.9021 9.9021 9.9021 9.9021 10.7542 10.7542 10.7542 10.7542 11.3766 11.3766 11.3766 11.3766 16.4316 16.4316 16.4316 16.4316 k = 0.1981 0.1144 0.3214 ( 1692 PWs) bands (ev): -3.4013 -3.4013 -3.4013 -3.4013 5.3944 5.3944 5.3944 5.3944 7.0127 7.0127 7.0127 7.0127 7.0544 7.0544 7.0544 7.0544 8.8627 8.8627 8.8627 8.8627 9.1159 9.1159 9.1159 9.1159 9.9223 9.9223 9.9223 9.9223 10.7193 10.7193 10.7193 10.7193 11.3551 11.3551 11.3551 11.3551 16.3532 16.3532 16.3532 16.3532 k = 0.2075 0.1198 0.3214 ( 1694 PWs) bands (ev): -3.3687 -3.3687 -3.3687 -3.3687 5.3312 5.3312 5.3312 5.3312 7.0032 7.0032 7.0032 7.0032 7.0509 7.0509 7.0509 7.0509 8.8499 8.8499 8.8499 8.8499 9.1241 9.1241 9.1241 9.1241 9.9386 9.9386 9.9386 9.9386 10.6910 10.6910 10.6910 10.6910 11.3330 11.3330 11.3330 11.3330 16.2729 16.2729 16.2729 16.2729 k = 0.2170 0.1253 0.3214 ( 1694 PWs) bands (ev): -3.3352 -3.3352 -3.3352 -3.3352 5.2662 5.2662 5.2662 5.2662 6.9933 6.9933 6.9933 6.9933 7.0472 7.0472 7.0472 7.0472 8.8373 8.8373 8.8373 8.8373 9.1328 9.1328 9.1328 9.1328 9.9504 9.9504 9.9504 9.9504 10.6704 10.6704 10.6704 10.6704 11.3104 11.3104 11.3104 11.3104 16.1914 16.1914 16.1914 16.1914 k = 0.2264 0.1307 0.3214 ( 1690 PWs) bands (ev): -3.3008 -3.3008 -3.3008 -3.3008 5.1997 5.1997 5.1997 5.1997 6.9832 6.9832 6.9832 6.9832 7.0433 7.0433 7.0433 7.0433 8.8252 8.8252 8.8252 8.8252 9.1423 9.1423 9.1423 9.1423 9.9570 9.9570 9.9570 9.9570 10.6579 10.6579 10.6579 10.6579 11.2873 11.2873 11.2873 11.2873 16.1094 16.1094 16.1094 16.1094 k = 0.2358 0.1362 0.3214 ( 1682 PWs) bands (ev): -3.2656 -3.2656 -3.2656 -3.2656 5.1320 5.1320 5.1320 5.1320 6.9729 6.9729 6.9729 6.9729 7.0390 7.0390 7.0390 7.0390 8.8136 8.8136 8.8136 8.8136 9.1523 9.1523 9.1523 9.1523 9.9584 9.9584 9.9584 9.9584 10.6539 10.6539 10.6539 10.6539 11.2639 11.2639 11.2639 11.2639 16.0274 16.0274 16.0274 16.0274 k = 0.2453 0.1416 0.3214 ( 1680 PWs) bands (ev): -3.2297 -3.2297 -3.2297 -3.2297 5.0632 5.0632 5.0632 5.0632 6.9624 6.9624 6.9624 6.9624 7.0344 7.0344 7.0344 7.0344 8.8026 8.8026 8.8026 8.8026 9.1629 9.1629 9.1629 9.1629 9.9544 9.9544 9.9544 9.9544 10.6580 10.6580 10.6580 10.6580 11.2400 11.2400 11.2400 11.2400 15.9457 15.9457 15.9457 15.9457 k = 0.2547 0.1471 0.3214 ( 1686 PWs) bands (ev): -3.1932 -3.1932 -3.1932 -3.1932 4.9935 4.9935 4.9935 4.9935 6.9517 6.9517 6.9517 6.9517 7.0292 7.0292 7.0292 7.0292 8.7923 8.7923 8.7923 8.7923 9.1741 9.1741 9.1741 9.1741 9.9456 9.9456 9.9456 9.9456 10.6696 10.6696 10.6696 10.6696 11.2158 11.2158 11.2158 11.2158 15.8645 15.8645 15.8645 15.8645 k = 0.2642 0.1525 0.3214 ( 1686 PWs) bands (ev): -3.1563 -3.1563 -3.1563 -3.1563 4.9233 4.9233 4.9233 4.9233 6.9410 6.9410 6.9410 6.9410 7.0235 7.0235 7.0235 7.0235 8.7829 8.7829 8.7829 8.7829 9.1859 9.1859 9.1859 9.1859 9.9329 9.9329 9.9329 9.9329 10.6880 10.6880 10.6880 10.6880 11.1915 11.1915 11.1915 11.1915 15.7842 15.7842 15.7842 15.7842 k = 0.2736 0.1580 0.3214 ( 1690 PWs) bands (ev): -3.1189 -3.1189 -3.1189 -3.1189 4.8527 4.8527 4.8527 4.8527 6.9302 6.9302 6.9302 6.9302 7.0172 7.0172 7.0172 7.0172 8.7744 8.7744 8.7744 8.7744 9.1982 9.1982 9.1982 9.1982 9.9171 9.9171 9.9171 9.9171 10.7120 10.7120 10.7120 10.7120 11.1669 11.1669 11.1669 11.1669 15.7049 15.7049 15.7049 15.7049 k = 0.2830 0.1634 0.3214 ( 1686 PWs) bands (ev): -3.0813 -3.0813 -3.0813 -3.0813 4.7821 4.7821 4.7821 4.7821 6.9195 6.9195 6.9195 6.9195 7.0105 7.0105 7.0105 7.0105 8.7671 8.7671 8.7671 8.7671 9.2111 9.2111 9.2111 9.2111 9.8993 9.8993 9.8993 9.8993 10.7406 10.7406 10.7406 10.7406 11.1424 11.1424 11.1424 11.1424 15.6268 15.6268 15.6268 15.6268 k = 0.2925 0.1688 0.3214 ( 1686 PWs) bands (ev): -3.0435 -3.0435 -3.0435 -3.0435 4.7116 4.7116 4.7116 4.7116 6.9088 6.9088 6.9088 6.9088 7.0032 7.0032 7.0032 7.0032 8.7608 8.7608 8.7608 8.7608 9.2243 9.2243 9.2243 9.2243 9.8800 9.8800 9.8800 9.8800 10.7728 10.7728 10.7728 10.7728 11.1178 11.1178 11.1178 11.1178 15.5499 15.5499 15.5499 15.5499 k = 0.3019 0.1743 0.3214 ( 1690 PWs) bands (ev): -3.0058 -3.0058 -3.0058 -3.0058 4.6416 4.6416 4.6416 4.6416 6.8982 6.8982 6.8982 6.8982 6.9954 6.9954 6.9954 6.9954 8.7556 8.7556 8.7556 8.7556 9.2378 9.2378 9.2378 9.2378 9.8599 9.8599 9.8599 9.8599 10.8078 10.8078 10.8078 10.8078 11.0934 11.0934 11.0934 11.0934 15.4744 15.4744 15.4744 15.4744 k = 0.3113 0.1797 0.3214 ( 1694 PWs) bands (ev): -2.9682 -2.9682 -2.9682 -2.9682 4.5723 4.5723 4.5723 4.5723 6.8877 6.8877 6.8877 6.8877 6.9872 6.9872 6.9872 6.9872 8.7515 8.7515 8.7515 8.7515 9.2517 9.2517 9.2517 9.2517 9.8395 9.8395 9.8395 9.8395 10.8446 10.8446 10.8446 10.8446 11.0695 11.0695 11.0695 11.0695 15.4004 15.4004 15.4004 15.4004 k = 0.3208 0.1852 0.3214 ( 1694 PWs) bands (ev): -2.9309 -2.9309 -2.9309 -2.9309 4.5039 4.5039 4.5039 4.5039 6.8775 6.8775 6.8775 6.8775 6.9786 6.9786 6.9786 6.9786 8.7486 8.7486 8.7486 8.7486 9.2658 9.2658 9.2658 9.2658 9.8193 9.8193 9.8193 9.8193 10.8824 10.8824 10.8824 10.8824 11.0465 11.0465 11.0465 11.0465 15.3281 15.3281 15.3281 15.3281 k = 0.3302 0.1906 0.3214 ( 1694 PWs) bands (ev): -2.8940 -2.8940 -2.8940 -2.8940 4.4369 4.4369 4.4369 4.4369 6.8675 6.8675 6.8675 6.8675 6.9696 6.9696 6.9696 6.9696 8.7468 8.7468 8.7468 8.7468 9.2802 9.2802 9.2802 9.2802 9.7994 9.7994 9.7994 9.7994 10.9192 10.9192 10.9192 10.9192 11.0259 11.0259 11.0259 11.0259 15.2576 15.2576 15.2576 15.2576 k = 0.3396 0.1961 0.3214 ( 1698 PWs) bands (ev): -2.8578 -2.8578 -2.8578 -2.8578 4.3713 4.3713 4.3713 4.3713 6.8578 6.8578 6.8578 6.8578 6.9604 6.9604 6.9604 6.9604 8.7460 8.7460 8.7460 8.7460 9.2946 9.2946 9.2946 9.2946 9.7800 9.7800 9.7800 9.7800 10.9484 10.9484 10.9484 10.9484 11.0138 11.0138 11.0138 11.0138 15.1889 15.1889 15.1889 15.1889 k = 0.3491 0.2015 0.3214 ( 1706 PWs) bands (ev): -2.8223 -2.8223 -2.8223 -2.8223 4.3076 4.3076 4.3076 4.3076 6.8483 6.8483 6.8483 6.8483 6.9510 6.9510 6.9510 6.9510 8.7461 8.7461 8.7461 8.7461 9.3090 9.3090 9.3090 9.3090 9.7614 9.7614 9.7614 9.7614 10.9522 10.9522 10.9522 10.9522 11.0278 11.0278 11.0278 11.0278 15.1223 15.1223 15.1223 15.1223 k = 0.3585 0.2070 0.3214 ( 1706 PWs) bands (ev): -2.7878 -2.7878 -2.7878 -2.7878 4.2460 4.2460 4.2460 4.2460 6.8392 6.8392 6.8392 6.8392 6.9417 6.9417 6.9417 6.9417 8.7471 8.7471 8.7471 8.7471 9.3233 9.3233 9.3233 9.3233 9.7438 9.7438 9.7438 9.7438 10.9369 10.9369 10.9369 10.9369 11.0616 11.0616 11.0616 11.0616 15.0579 15.0579 15.0579 15.0579 k = 0.3679 0.2124 0.3214 ( 1706 PWs) bands (ev): -2.7543 -2.7543 -2.7543 -2.7543 4.1867 4.1867 4.1867 4.1867 6.8305 6.8305 6.8305 6.8305 6.9323 6.9323 6.9323 6.9323 8.7490 8.7490 8.7490 8.7490 9.3374 9.3374 9.3374 9.3374 9.7272 9.7272 9.7272 9.7272 10.9171 10.9171 10.9171 10.9171 11.1000 11.1000 11.1000 11.1000 14.9958 14.9958 14.9958 14.9958 k = 0.3774 0.2179 0.3214 ( 1710 PWs) bands (ev): -2.7222 -2.7222 -2.7222 -2.7222 4.1301 4.1301 4.1301 4.1301 6.8223 6.8223 6.8223 6.8223 6.9230 6.9230 6.9230 6.9230 8.7514 8.7514 8.7514 8.7514 9.3511 9.3511 9.3511 9.3511 9.7115 9.7115 9.7115 9.7115 10.8967 10.8967 10.8967 10.8967 11.1391 11.1391 11.1391 11.1391 14.9364 14.9364 14.9364 14.9364 k = 0.3868 0.2233 0.3214 ( 1714 PWs) bands (ev): -2.6915 -2.6915 -2.6915 -2.6915 4.0764 4.0764 4.0764 4.0764 6.8145 6.8145 6.8145 6.8145 6.9140 6.9140 6.9140 6.9140 8.7543 8.7543 8.7543 8.7543 9.3643 9.3643 9.3643 9.3643 9.6970 9.6970 9.6970 9.6970 10.8766 10.8766 10.8766 10.8766 11.1777 11.1777 11.1777 11.1777 14.8798 14.8798 14.8798 14.8798 k = 0.3962 0.2288 0.3214 ( 1714 PWs) bands (ev): -2.6624 -2.6624 -2.6624 -2.6624 4.0258 4.0258 4.0258 4.0258 6.8073 6.8073 6.8073 6.8073 6.9054 6.9054 6.9054 6.9054 8.7577 8.7577 8.7577 8.7577 9.3770 9.3770 9.3770 9.3770 9.6838 9.6838 9.6838 9.6838 10.8573 10.8573 10.8573 10.8573 11.2151 11.2151 11.2151 11.2151 14.8262 14.8262 14.8262 14.8262 k = 0.4057 0.2342 0.3214 ( 1712 PWs) bands (ev): -2.6352 -2.6352 -2.6352 -2.6352 3.9787 3.9787 3.9787 3.9787 6.8006 6.8006 6.8006 6.8006 6.8971 6.8971 6.8971 6.8971 8.7614 8.7614 8.7614 8.7614 9.3890 9.3890 9.3890 9.3890 9.6717 9.6717 9.6717 9.6717 10.8389 10.8389 10.8389 10.8389 11.2511 11.2511 11.2511 11.2511 14.7759 14.7759 14.7759 14.7759 k = 0.4151 0.2397 0.3214 ( 1716 PWs) bands (ev): -2.6100 -2.6100 -2.6100 -2.6100 3.9352 3.9352 3.9352 3.9352 6.7944 6.7944 6.7944 6.7944 6.8894 6.8894 6.8894 6.8894 8.7651 8.7651 8.7651 8.7651 9.4000 9.4000 9.4000 9.4000 9.6609 9.6609 9.6609 9.6609 10.8216 10.8216 10.8216 10.8216 11.2850 11.2850 11.2850 11.2850 14.7292 14.7292 14.7292 14.7292 k = 0.4245 0.2451 0.3214 ( 1720 PWs) bands (ev): -2.5869 -2.5869 -2.5869 -2.5869 3.8956 3.8956 3.8956 3.8956 6.7888 6.7888 6.7888 6.7888 6.8822 6.8822 6.8822 6.8822 8.7689 8.7689 8.7689 8.7689 9.4100 9.4100 9.4100 9.4100 9.6514 9.6514 9.6514 9.6514 10.8056 10.8056 10.8056 10.8056 11.3165 11.3165 11.3165 11.3165 14.6863 14.6863 14.6863 14.6863 k = 0.4340 0.2505 0.3214 ( 1724 PWs) bands (ev): -2.5661 -2.5661 -2.5661 -2.5661 3.8602 3.8602 3.8602 3.8602 6.7838 6.7838 6.7838 6.7838 6.8757 6.8757 6.8757 6.8757 8.7726 8.7726 8.7726 8.7726 9.4189 9.4189 9.4189 9.4189 9.6431 9.6431 9.6431 9.6431 10.7912 10.7912 10.7912 10.7912 11.3454 11.3454 11.3454 11.3454 14.6476 14.6476 14.6476 14.6476 k = 0.4434 0.2560 0.3214 ( 1720 PWs) bands (ev): -2.5477 -2.5477 -2.5477 -2.5477 3.8290 3.8290 3.8290 3.8290 6.7794 6.7794 6.7794 6.7794 6.8700 6.8700 6.8700 6.8700 8.7761 8.7761 8.7761 8.7761 9.4268 9.4268 9.4268 9.4268 9.6362 9.6362 9.6362 9.6362 10.7783 10.7783 10.7783 10.7783 11.3712 11.3712 11.3712 11.3712 14.6133 14.6133 14.6133 14.6133 k = 0.4528 0.2614 0.3214 ( 1708 PWs) bands (ev): -2.5320 -2.5320 -2.5320 -2.5320 3.8023 3.8023 3.8023 3.8023 6.7758 6.7758 6.7758 6.7758 6.8651 6.8651 6.8651 6.8651 8.7794 8.7794 8.7794 8.7794 9.4336 9.4336 9.4336 9.4336 9.6306 9.6306 9.6306 9.6306 10.7672 10.7672 10.7672 10.7672 11.3937 11.3937 11.3937 11.3937 14.5837 14.5837 14.5837 14.5837 k = 0.4623 0.2669 0.3214 ( 1710 PWs) bands (ev): -2.5189 -2.5189 -2.5189 -2.5189 3.7802 3.7802 3.7802 3.7802 6.7727 6.7727 6.7727 6.7727 6.8609 6.8609 6.8609 6.8609 8.7821 8.7821 8.7821 8.7821 9.4390 9.4390 9.4390 9.4390 9.6262 9.6262 9.6262 9.6262 10.7579 10.7579 10.7579 10.7579 11.4126 11.4126 11.4126 11.4126 14.5591 14.5591 14.5591 14.5591 k = 0.4717 0.2723 0.3214 ( 1712 PWs) bands (ev): -2.5087 -2.5087 -2.5087 -2.5087 3.7629 3.7629 3.7629 3.7629 6.7703 6.7703 6.7703 6.7703 6.8577 6.8577 6.8577 6.8577 8.7843 8.7843 8.7843 8.7843 9.4431 9.4431 9.4431 9.4431 9.6228 9.6228 9.6228 9.6228 10.7506 10.7506 10.7506 10.7506 11.4275 11.4275 11.4275 11.4275 14.5396 14.5396 14.5396 14.5396 k = 0.4811 0.2778 0.3214 ( 1708 PWs) bands (ev): -2.5013 -2.5013 -2.5013 -2.5013 3.7505 3.7505 3.7505 3.7505 6.7686 6.7686 6.7686 6.7686 6.8553 6.8553 6.8553 6.8553 8.7859 8.7859 8.7859 8.7859 9.4460 9.4460 9.4460 9.4460 9.6206 9.6206 9.6206 9.6206 10.7453 10.7453 10.7453 10.7453 11.4383 11.4383 11.4383 11.4383 14.5256 14.5256 14.5256 14.5256 k = 0.4906 0.2832 0.3214 ( 1712 PWs) bands (ev): -2.4968 -2.4968 -2.4968 -2.4968 3.7430 3.7430 3.7430 3.7430 6.7675 6.7675 6.7675 6.7675 6.8539 6.8539 6.8539 6.8539 8.7869 8.7869 8.7869 8.7869 9.4477 9.4477 9.4477 9.4477 9.6192 9.6192 9.6192 9.6192 10.7421 10.7421 10.7421 10.7421 11.4449 11.4449 11.4449 11.4449 14.5172 14.5172 14.5172 14.5172 k = 0.5000 0.2887 0.3214 ( 1716 PWs) bands (ev): -2.4953 -2.4953 -2.4953 -2.4953 3.7405 3.7405 3.7405 3.7405 6.7672 6.7672 6.7672 6.7672 6.8534 6.8534 6.8534 6.8534 8.7872 8.7872 8.7872 8.7872 9.4482 9.4482 9.4482 9.4482 9.6187 9.6187 9.6187 9.6187 10.7410 10.7410 10.7410 10.7410 11.4471 11.4471 11.4471 11.4471 14.5143 14.5143 14.5143 14.5143 k = 0.5000 0.2887 0.3214 ( 1716 PWs) bands (ev): -2.4953 -2.4953 -2.4953 -2.4953 3.7405 3.7405 3.7405 3.7405 6.7672 6.7672 6.7672 6.7672 6.8534 6.8534 6.8534 6.8534 8.7872 8.7872 8.7872 8.7872 9.4482 9.4482 9.4482 9.4482 9.6187 9.6187 9.6187 9.6187 10.7410 10.7410 10.7410 10.7410 11.4471 11.4471 11.4471 11.4471 14.5143 14.5143 14.5143 14.5143 k = 0.4946 0.2980 0.3214 ( 1712 PWs) bands (ev): -2.4951 -2.4951 -2.4948 -2.4948 3.7414 3.7414 3.7418 3.7418 6.7568 6.7568 6.7644 6.7644 6.8533 6.8533 6.8592 6.8592 8.7867 8.7867 8.7894 8.7894 9.4457 9.4457 9.4509 9.4509 9.6165 9.6165 9.6201 9.6201 10.7341 10.7341 10.7346 10.7346 11.4538 11.4538 11.4541 11.4541 14.5186 14.5186 14.5189 14.5189 k = 0.4892 0.3073 0.3214 ( 1704 PWs) bands (ev): -2.4941 -2.4941 -2.4935 -2.4935 3.7446 3.7446 3.7454 3.7454 6.7366 6.7366 6.7492 6.7492 6.8584 6.8584 6.8676 6.8676 8.7879 8.7879 8.7934 8.7934 9.4433 9.4433 9.4537 9.4537 9.6133 9.6133 9.6205 9.6205 10.7149 10.7149 10.7158 10.7158 11.4734 11.4734 11.4741 11.4741 14.5317 14.5317 14.5323 14.5323 k = 0.4839 0.3166 0.3214 ( 1708 PWs) bands (ev): -2.4924 -2.4924 -2.4915 -2.4915 3.7501 3.7501 3.7513 3.7513 6.7090 6.7090 6.7245 6.7245 6.8654 6.8654 6.8760 6.8760 8.7908 8.7908 8.7988 8.7988 9.4409 9.4409 9.4566 9.4566 9.6091 9.6091 9.6199 9.6199 10.6854 10.6854 10.6868 10.6868 11.5036 11.5036 11.5046 11.5046 14.5535 14.5535 14.5543 14.5543 k = 0.4785 0.3259 0.3214 ( 1708 PWs) bands (ev): -2.4900 -2.4900 -2.4888 -2.4888 3.7578 3.7578 3.7594 3.7594 6.6754 6.6754 6.6928 6.6928 6.8723 6.8723 6.8832 6.8832 8.7954 8.7954 8.8058 8.8058 9.4387 9.4387 9.4597 9.4597 9.6040 9.6040 9.6184 9.6184 10.6485 10.6485 10.6505 10.6505 11.5416 11.5416 11.5430 11.5430 14.5837 14.5837 14.5849 14.5849 k = 0.4731 0.3352 0.3214 ( 1708 PWs) bands (ev): -2.4868 -2.4868 -2.4853 -2.4853 3.7678 3.7678 3.7697 3.7697 6.6364 6.6364 6.6551 6.6551 6.8781 6.8781 6.8891 6.8891 8.8014 8.8014 8.8142 8.8142 9.4365 9.4365 9.4629 9.4629 9.5979 9.5979 9.6161 9.6161 10.6067 10.6067 10.6095 10.6095 11.5848 11.5848 11.5867 11.5867 14.6221 14.6221 14.6236 14.6236 k = 0.4677 0.3445 0.3214 ( 1708 PWs) bands (ev): -2.4830 -2.4830 -2.4812 -2.4812 3.7800 3.7800 3.7823 3.7823 6.5923 6.5923 6.6121 6.6121 6.8827 6.8827 6.8935 6.8935 8.8090 8.8090 8.8237 8.8237 9.4344 9.4344 9.4664 9.4664 9.5910 9.5910 9.6130 9.6130 10.5622 10.5622 10.5658 10.5658 11.6311 11.6311 11.6336 11.6336 14.6682 14.6682 14.6702 14.6702 k = 0.4624 0.3539 0.3214 ( 1704 PWs) bands (ev): -2.4785 -2.4785 -2.4764 -2.4764 3.7944 3.7944 3.7971 3.7971 6.5433 6.5433 6.5640 6.5640 6.8861 6.8861 6.8966 6.8966 8.8178 8.8178 8.8344 8.8344 9.4325 9.4325 9.4701 9.4701 9.5832 9.5832 9.6093 9.6093 10.5165 10.5165 10.5212 10.5212 11.6790 11.6790 11.6820 11.6820 14.7216 14.7216 14.7241 14.7241 k = 0.4570 0.3632 0.3214 ( 1712 PWs) bands (ev): -2.4733 -2.4733 -2.4709 -2.4709 3.8110 3.8110 3.8141 3.8141 6.4895 6.4895 6.5109 6.5109 6.8882 6.8882 6.8985 6.8985 8.8277 8.8277 8.8458 8.8458 9.4304 9.4304 9.4739 9.4739 9.5746 9.5746 9.6049 9.6049 10.4707 10.4707 10.4767 10.4767 11.7273 11.7273 11.7309 11.7309 14.7818 14.7818 14.7849 14.7849 k = 0.4516 0.3725 0.3214 ( 1712 PWs) bands (ev): -2.4676 -2.4676 -2.4649 -2.4649 3.8299 3.8299 3.8333 3.8333 6.4313 6.4313 6.4534 6.4534 6.8894 6.8894 6.8995 6.8995 8.8386 8.8386 8.8580 8.8580 9.4284 9.4284 9.4779 9.4779 9.5657 9.5657 9.6003 9.6003 10.4258 10.4258 10.4331 10.4331 11.7751 11.7751 11.7794 11.7794 14.8481 14.8481 14.8518 14.8518 k = 0.4462 0.3818 0.3214 ( 1712 PWs) bands (ev): -2.4612 -2.4612 -2.4583 -2.4583 3.8509 3.8509 3.8547 3.8547 6.3690 6.3690 6.3915 6.3915 6.8896 6.8896 6.8995 6.8995 8.8504 8.8504 8.8707 8.8707 9.4262 9.4262 9.4819 9.4819 9.5566 9.5566 9.5955 9.5955 10.3822 10.3822 10.3910 10.3910 11.8220 11.8220 11.8269 11.8269 14.9198 14.9198 14.9242 14.9242 k = 0.4409 0.3911 0.3214 ( 1704 PWs) bands (ev): -2.4544 -2.4544 -2.4512 -2.4512 3.8741 3.8741 3.8782 3.8782 6.3029 6.3029 6.3258 6.3258 6.8893 6.8893 6.8990 6.8990 8.8628 8.8628 8.8838 8.8838 9.4238 9.4238 9.4853 9.4853 9.5480 9.5480 9.5911 9.5911 10.3404 10.3404 10.3509 10.3509 11.8674 11.8674 11.8731 11.8731 14.9963 14.9963 15.0015 15.0015 k = 0.4355 0.4004 0.3214 ( 1692 PWs) bands (ev): -2.4471 -2.4471 -2.4436 -2.4436 3.8994 3.8994 3.9039 3.9039 6.2334 6.2334 6.2565 6.2565 6.8882 6.8882 6.8978 6.8978 8.8758 8.8758 8.8972 8.8972 9.4210 9.4210 9.4873 9.4873 9.5412 9.5412 9.5873 9.5873 10.3006 10.3006 10.3130 10.3130 11.9112 11.9112 11.9176 11.9176 15.0767 15.0767 15.0829 15.0829 k = 0.4301 0.4097 0.3214 ( 1692 PWs) bands (ev): -2.4394 -2.4394 -2.4357 -2.4357 3.9269 3.9269 3.9317 3.9317 6.1608 6.1608 6.1840 6.1840 6.8865 6.8865 6.8960 6.8960 8.8891 8.8891 8.9106 8.9106 9.4173 9.4173 9.4858 9.4858 9.5377 9.5377 9.5842 9.5842 10.2628 10.2628 10.2773 10.2773 11.9531 11.9531 11.9602 11.9602 15.1604 15.1604 15.1676 15.1676 k = 0.4247 0.4190 0.3214 ( 1692 PWs) bands (ev): -2.4313 -2.4313 -2.4274 -2.4274 3.9564 3.9564 3.9616 3.9616 6.0855 6.0855 6.1088 6.1088 6.8845 6.8845 6.8938 6.8938 8.9026 8.9026 8.9240 8.9240 9.4126 9.4126 9.4799 9.4799 9.5390 9.5390 9.5825 9.5825 10.2270 10.2270 10.2437 10.2437 11.9931 11.9931 12.0009 12.0009 15.2466 15.2466 15.2548 15.2548 k = 0.4194 0.4284 0.3214 ( 1696 PWs) bands (ev): -2.4230 -2.4230 -2.4188 -2.4188 3.9880 3.9880 3.9935 3.9935 6.0079 6.0079 6.0313 6.0313 6.8821 6.8821 6.8913 6.8913 8.9162 8.9162 8.9373 8.9373 9.4067 9.4067 9.4703 9.4703 9.5442 9.5442 9.5823 9.5823 10.1933 10.1933 10.2123 10.2123 12.0311 12.0311 12.0396 12.0396 15.3346 15.3346 15.3440 15.3440 k = 0.4140 0.4377 0.3214 ( 1700 PWs) bands (ev): -2.4145 -2.4145 -2.4100 -2.4100 4.0216 4.0216 4.0274 4.0274 5.9286 5.9286 5.9519 5.9519 6.8794 6.8794 6.8885 6.8885 8.9297 8.9297 8.9504 8.9504 9.3996 9.3996 9.4586 9.4586 9.5524 9.5524 9.5840 9.5840 10.1615 10.1615 10.1830 10.1830 12.0672 12.0672 12.0763 12.0763 15.4237 15.4237 15.4344 15.4344 k = 0.4086 0.4470 0.3214 ( 1700 PWs) bands (ev): -2.4058 -2.4058 -2.4011 -2.4011 4.0572 4.0572 4.0633 4.0633 5.8479 5.8479 5.8712 5.8712 6.8765 6.8765 6.8856 6.8856 8.9432 8.9432 8.9633 8.9633 9.3912 9.3912 9.4455 9.4455 9.5626 9.5626 9.5877 9.5877 10.1315 10.1315 10.1557 10.1557 12.1013 12.1013 12.1111 12.1111 15.5132 15.5132 15.5255 15.5255 k = 0.4032 0.4563 0.3214 ( 1700 PWs) bands (ev): -2.3971 -2.3971 -2.3922 -2.3922 4.0947 4.0947 4.1011 4.1011 5.7662 5.7662 5.7895 5.7895 6.8735 6.8735 6.8825 6.8825 8.9566 8.9566 8.9759 8.9759 9.3816 9.3816 9.4318 9.4318 9.5744 9.5744 9.5934 9.5934 10.1031 10.1031 10.1302 10.1302 12.1335 12.1335 12.1438 12.1438 15.6027 15.6027 15.6166 15.6166 k = 0.3978 0.4656 0.3214 ( 1700 PWs) bands (ev): -2.3883 -2.3883 -2.3832 -2.3832 4.1341 4.1341 4.1407 4.1407 5.6841 5.6841 5.7073 5.7073 6.8705 6.8705 6.8794 6.8794 8.9696 8.9696 8.9882 8.9882 9.3710 9.3710 9.4177 9.4177 9.5876 9.5876 9.6008 9.6008 10.0763 10.0763 10.1063 10.1063 12.1637 12.1637 12.1746 12.1746 15.6916 15.6916 15.7072 15.7072 k = 0.3925 0.4749 0.3214 ( 1700 PWs) bands (ev): -2.3797 -2.3797 -2.3744 -2.3744 4.1752 4.1752 4.1821 4.1821 5.6019 5.6019 5.6250 5.6250 6.8674 6.8674 6.8763 6.8763 8.9824 8.9824 9.0003 9.0003 9.3596 9.3596 9.4035 9.4035 9.6019 9.6019 9.6098 9.6098 10.0506 10.0506 10.0839 10.0839 12.1919 12.1919 12.2034 12.2034 15.7794 15.7794 15.7970 15.7970 k = 0.3871 0.4842 0.3214 ( 1696 PWs) bands (ev): -2.3713 -2.3713 -2.3659 -2.3659 4.2181 4.2181 4.2251 4.2251 5.5201 5.5201 5.5431 5.5431 6.8645 6.8645 6.8733 6.8733 8.9948 8.9948 9.0120 9.0120 9.3477 9.3477 9.3894 9.3894 9.6174 9.6174 9.6203 9.6203 10.0261 10.0261 10.0628 10.0628 12.2182 12.2182 12.2301 12.2301 15.8658 15.8658 15.8856 15.8856 k = 0.3817 0.4935 0.3214 ( 1698 PWs) bands (ev): -2.3632 -2.3632 -2.3576 -2.3576 4.2626 4.2626 4.2697 4.2697 5.4391 5.4391 5.4621 5.4621 6.8615 6.8615 6.8703 6.8703 9.0067 9.0067 9.0234 9.0234 9.3353 9.3353 9.3755 9.3755 9.6318 9.6318 9.6337 9.6337 10.0025 10.0025 10.0430 10.0430 12.2424 12.2424 12.2548 12.2548 15.9502 15.9502 15.9725 15.9725 k = 0.3763 0.5029 0.3214 ( 1700 PWs) bands (ev): -2.3555 -2.3555 -2.3498 -2.3498 4.3086 4.3086 4.3157 4.3157 5.3594 5.3594 5.3824 5.3824 6.8588 6.8588 6.8676 6.8676 9.0181 9.0181 9.0344 9.0344 9.3228 9.3228 9.3620 9.3620 9.6440 9.6440 9.6507 9.6507 9.9796 9.9796 10.0244 10.0244 12.2646 12.2646 12.2773 12.2773 16.0324 16.0324 16.0574 16.0574 k = 0.3710 0.5122 0.3214 ( 1700 PWs) bands (ev): -2.3484 -2.3484 -2.3424 -2.3424 4.3558 4.3558 4.3629 4.3629 5.2815 5.2815 5.3046 5.3046 6.8562 6.8562 6.8650 6.8650 9.0289 9.0289 9.0450 9.0450 9.3105 9.3105 9.3492 9.3492 9.6568 9.6568 9.6686 9.6686 9.9574 9.9574 10.0070 10.0070 12.2846 12.2846 12.2977 12.2977 16.1116 16.1116 16.1399 16.1399 k = 0.3656 0.5215 0.3214 ( 1696 PWs) bands (ev): -2.3418 -2.3418 -2.3358 -2.3358 4.4041 4.4041 4.4109 4.4109 5.2058 5.2058 5.2292 5.2292 6.8539 6.8539 6.8627 6.8627 9.0390 9.0390 9.0551 9.0551 9.2986 9.2986 9.3373 9.3373 9.6697 9.6697 9.6872 9.6872 9.9358 9.9358 9.9908 9.9908 12.3024 12.3024 12.3157 12.3157 16.1872 16.1872 16.2193 16.2193 k = 0.3602 0.5308 0.3214 ( 1692 PWs) bands (ev): -2.3359 -2.3359 -2.3298 -2.3298 4.4530 4.4530 4.4593 4.4593 5.1332 5.1332 5.1571 5.1571 6.8519 6.8519 6.8606 6.8606 9.0482 9.0482 9.0646 9.0646 9.2873 9.2873 9.3264 9.3264 9.6823 9.6823 9.7064 9.7064 9.9145 9.9145 9.9761 9.9761 12.3178 12.3178 12.3314 12.3314 16.2582 16.2582 16.2948 16.2948 k = 0.3548 0.5401 0.3214 ( 1684 PWs) bands (ev): -2.3309 -2.3309 -2.3247 -2.3247 4.5017 4.5017 4.5073 4.5073 5.0647 5.0647 5.0894 5.0894 6.8502 6.8502 6.8589 6.8589 9.0562 9.0562 9.0732 9.0732 9.2771 9.2771 9.3168 9.3168 9.6940 9.6940 9.7260 9.7260 9.8937 9.8937 9.9632 9.9632 12.3308 12.3308 12.3445 12.3445 16.3231 16.3231 16.3650 16.3650 k = 0.3495 0.5494 0.3214 ( 1688 PWs) bands (ev): -2.3268 -2.3268 -2.3205 -2.3205 4.5489 4.5489 4.5532 4.5532 5.0017 5.0017 5.0277 5.0277 6.8487 6.8487 6.8574 6.8574 9.0628 9.0628 9.0806 9.0806 9.2683 9.2683 9.3089 9.3089 9.7043 9.7043 9.7458 9.7458 9.8729 9.8729 9.9521 9.9521 12.3410 12.3410 12.3549 12.3549 16.3793 16.3793 16.4276 16.4276 k = 0.3441 0.5587 0.3214 ( 1690 PWs) bands (ev): -2.3237 -2.3237 -2.3174 -2.3174 4.5918 4.5918 4.5941 4.5941 4.9473 4.9473 4.9752 4.9752 6.8477 6.8477 6.8563 6.8563 9.0679 9.0679 9.0863 9.0863 9.2613 9.2613 9.3028 9.3028 9.7124 9.7124 9.7657 9.7657 9.8526 9.8526 9.9436 9.9436 12.3486 12.3486 12.3625 12.3625 16.4237 16.4237 16.4786 16.4786 k = 0.3387 0.5680 0.3214 ( 1686 PWs) bands (ev): -2.3218 -2.3218 -2.3155 -2.3155 4.6244 4.6244 4.6244 4.6244 4.9076 4.9076 4.9379 4.9379 6.8471 6.8471 6.8557 6.8557 9.0711 9.0711 9.0901 9.0901 9.2569 9.2569 9.2990 9.2990 9.7177 9.7177 9.7848 9.7848 9.8333 9.8333 9.9382 9.9382 12.3532 12.3532 12.3673 12.3673 16.4521 16.4521 16.5127 16.5127 k = 0.3333 0.5774 0.3214 ( 1686 PWs) bands (ev): -2.3212 -2.3212 -2.3148 -2.3148 4.6360 4.6360 4.6373 4.6373 4.8924 4.8924 4.9240 4.9240 6.8468 6.8468 6.8555 6.8555 9.0721 9.0721 9.0914 9.0914 9.2553 9.2553 9.2977 9.2977 9.7196 9.7196 9.7966 9.7966 9.8215 9.8215 9.9364 9.9364 12.3548 12.3548 12.3688 12.3688 16.4617 16.4617 16.5245 16.5245 k = 0.3333 0.5774 0.3214 ( 1686 PWs) bands (ev): -2.3212 -2.3212 -2.3148 -2.3148 4.6360 4.6360 4.6373 4.6373 4.8924 4.8924 4.9240 4.9240 6.8468 6.8468 6.8555 6.8555 9.0721 9.0721 9.0914 9.0914 9.2553 9.2553 9.2977 9.2977 9.7196 9.7196 9.7966 9.7966 9.8215 9.8215 9.9364 9.9364 12.3548 12.3548 12.3688 12.3688 16.4617 16.4617 16.5245 16.5245 k = 0.3279 0.5679 0.3214 ( 1684 PWs) bands (ev): -2.3219 -2.3219 -2.3155 -2.3155 4.6246 4.6246 4.6246 4.6246 4.9076 4.9076 4.9379 4.9379 6.8471 6.8471 6.8558 6.8558 9.0711 9.0711 9.0901 9.0901 9.2570 9.2570 9.2991 9.2991 9.7176 9.7176 9.7844 9.7844 9.8337 9.8337 9.9382 9.9382 12.3532 12.3532 12.3672 12.3672 16.4529 16.4529 16.5135 16.5135 k = 0.3224 0.5584 0.3214 ( 1684 PWs) bands (ev): -2.3241 -2.3241 -2.3178 -2.3178 4.5939 4.5939 4.5962 4.5962 4.9458 4.9458 4.9739 4.9739 6.8478 6.8478 6.8565 6.8565 9.0678 9.0678 9.0861 9.0861 9.2618 9.2618 9.3031 9.3031 9.7119 9.7119 9.7645 9.7645 9.8535 9.8535 9.9438 9.9438 12.3481 12.3481 12.3621 12.3621 16.4301 16.4301 16.4858 16.4858 k = 0.3169 0.5490 0.3214 ( 1686 PWs) bands (ev): -2.3279 -2.3279 -2.3216 -2.3216 4.5560 4.5560 4.5599 4.5599 4.9965 4.9965 5.0228 5.0228 6.8490 6.8490 6.8577 6.8577 9.0625 9.0625 9.0799 9.0799 9.2695 9.2695 9.3096 9.3096 9.7027 9.7027 9.7435 9.7435 9.8742 9.8742 9.9526 9.9526 12.3395 12.3395 12.3534 12.3534 16.3995 16.3995 16.4496 16.4496 k = 0.3115 0.5395 0.3214 ( 1682 PWs) bands (ev): -2.3333 -2.3333 -2.3271 -2.3271 4.5167 4.5167 4.5217 4.5217 5.0538 5.0538 5.0790 5.0790 6.8508 6.8508 6.8595 6.8595 9.0556 9.0556 9.0719 9.0719 9.2797 9.2797 9.3184 9.3184 9.6909 9.6909 9.7221 9.7221 9.8952 9.8952 9.9638 9.9638 12.3274 12.3274 12.3412 12.3412 16.3661 16.3661 16.4110 16.4110 k = 0.3060 0.5300 0.3214 ( 1686 PWs) bands (ev): -2.3405 -2.3405 -2.3344 -2.3344 4.4788 4.4788 4.4845 4.4845 5.1149 5.1149 5.1395 5.1395 6.8531 6.8531 6.8618 6.8618 9.0473 9.0473 9.0626 9.0626 9.2918 9.2918 9.3291 9.3291 9.6768 9.6768 9.7005 9.7005 9.9161 9.9161 9.9768 9.9768 12.3117 12.3117 12.3255 12.3255 16.3331 16.3331 16.3734 16.3734 k = 0.3005 0.5206 0.3214 ( 1686 PWs) bands (ev): -2.3495 -2.3495 -2.3434 -2.3434 4.4437 4.4437 4.4497 4.4497 5.1785 5.1785 5.2028 5.2028 6.8559 6.8559 6.8646 6.8646 9.0378 9.0378 9.0524 9.0524 9.3056 9.3056 9.3415 9.3415 9.6612 9.6612 9.6787 9.6787 9.9370 9.9370 9.9912 9.9912 12.2924 12.2924 12.3061 12.3061 16.3028 16.3028 16.3391 16.3391 k = 0.2951 0.5111 0.3214 ( 1686 PWs) bands (ev): -2.3603 -2.3603 -2.3544 -2.3544 4.4123 4.4123 4.4183 4.4183 5.2438 5.2438 5.2681 5.2681 6.8593 6.8593 6.8679 6.8679 9.0276 9.0276 9.0415 9.0415 9.3206 9.3206 9.3552 9.3552 9.6443 9.6443 9.6569 9.6569 9.9576 9.9576 10.0065 10.0065 12.2696 12.2696 12.2833 12.2833 16.2761 16.2761 16.3090 16.3090 k = 0.2896 0.5016 0.3214 ( 1694 PWs) bands (ev): -2.3730 -2.3730 -2.3672 -2.3672 4.3848 4.3848 4.3908 4.3908 5.3103 5.3103 5.3347 5.3347 6.8632 6.8632 6.8718 6.8718 9.0166 9.0166 9.0302 9.0302 9.3365 9.3365 9.3701 9.3701 9.6267 9.6267 9.6351 9.6351 9.9779 9.9779 10.0222 10.0222 12.2434 12.2434 12.2571 12.2571 16.2540 16.2540 16.2838 16.2838 k = 0.2842 0.4922 0.3214 ( 1694 PWs) bands (ev): -2.3875 -2.3875 -2.3820 -2.3820 4.3616 4.3616 4.3674 4.3674 5.3777 5.3777 5.4023 5.4023 6.8677 6.8677 6.8763 6.8763 9.0053 9.0053 9.0189 9.0189 9.3530 9.3530 9.3858 9.3858 9.6088 9.6088 9.6135 9.6135 9.9980 9.9980 10.0384 10.0384 12.2140 12.2140 12.2278 12.2278 16.2366 16.2366 16.2636 16.2636 k = 0.2787 0.4827 0.3214 ( 1698 PWs) bands (ev): -2.4040 -2.4040 -2.3986 -2.3986 4.3429 4.3429 4.3485 4.3485 5.4457 5.4457 5.4706 5.4706 6.8727 6.8727 6.8813 6.8813 8.9937 8.9937 9.0074 9.0074 9.3696 9.3696 9.4020 9.4020 9.5910 9.5910 9.5924 9.5924 10.0178 10.0178 10.0547 10.0547 12.1816 12.1816 12.1954 12.1954 16.2241 16.2241 16.2486 16.2486 k = 0.2732 0.4732 0.3214 ( 1698 PWs) bands (ev): -2.4224 -2.4224 -2.4172 -2.4172 4.3288 4.3288 4.3340 4.3340 5.5140 5.5140 5.5393 5.5393 6.8783 6.8783 6.8869 6.8869 8.9819 8.9819 8.9961 8.9961 9.3859 9.3859 9.4181 9.4181 9.5724 9.5724 9.5742 9.5742 10.0373 10.0373 10.0711 10.0711 12.1464 12.1464 12.1604 12.1604 16.2163 16.2163 16.2385 16.2385 k = 0.2678 0.4638 0.3214 ( 1698 PWs) bands (ev): -2.4427 -2.4427 -2.4377 -2.4377 4.3194 4.3194 4.3242 4.3242 5.5825 5.5825 5.6082 5.6082 6.8845 6.8845 6.8929 6.8929 8.9701 8.9701 8.9849 8.9849 9.4005 9.4005 9.4330 9.4330 9.5546 9.5546 9.5593 9.5593 10.0564 10.0564 10.0874 10.0874 12.1086 12.1086 12.1229 12.1229 16.2130 16.2130 16.2330 16.2330 k = 0.2623 0.4543 0.3214 ( 1698 PWs) bands (ev): -2.4648 -2.4648 -2.4600 -2.4600 4.3145 4.3145 4.3189 4.3189 5.6509 5.6509 5.6771 5.6771 6.8911 6.8911 6.8995 6.8995 8.9583 8.9583 8.9740 8.9740 9.4117 9.4117 9.4440 9.4440 9.5416 9.5416 9.5486 9.5486 10.0751 10.0751 10.1036 10.1036 12.0687 12.0687 12.0833 12.0833 16.2138 16.2138 16.2319 16.2319 k = 0.2568 0.4448 0.3214 ( 1706 PWs) bands (ev): -2.4888 -2.4888 -2.4841 -2.4841 4.3143 4.3143 4.3182 4.3182 5.7191 5.7191 5.7458 5.7458 6.8982 6.8982 6.9064 6.9064 8.9464 8.9464 8.9633 8.9633 9.4168 9.4168 9.4470 9.4470 9.5378 9.5378 9.5445 9.5445 10.0932 10.0932 10.1194 10.1194 12.0268 12.0268 12.0418 12.0418 16.2184 16.2184 16.2346 16.2346 k = 0.2514 0.4354 0.3214 ( 1708 PWs) bands (ev): -2.5144 -2.5144 -2.5100 -2.5100 4.3186 4.3186 4.3220 4.3220 5.7869 5.7869 5.8141 5.8141 6.9058 6.9058 6.9139 6.9139 8.9349 8.9349 8.9531 8.9531 9.4139 9.4139 9.4397 9.4397 9.5451 9.5451 9.5492 9.5492 10.1109 10.1109 10.1351 10.1351 11.9835 11.9835 11.9990 11.9990 16.2263 16.2263 16.2407 16.2407 k = 0.2459 0.4259 0.3214 ( 1704 PWs) bands (ev): -2.5417 -2.5417 -2.5375 -2.5375 4.3274 4.3274 4.3304 4.3304 5.8540 5.8540 5.8818 5.8818 6.9139 6.9139 6.9219 6.9219 8.9236 8.9236 8.9434 8.9434 9.4039 9.4039 9.4252 9.4252 9.5608 9.5608 9.5618 9.5618 10.1281 10.1281 10.1505 10.1505 11.9390 11.9390 11.9551 11.9551 16.2370 16.2370 16.2497 16.2497 k = 0.2404 0.4164 0.3214 ( 1704 PWs) bands (ev): -2.5706 -2.5706 -2.5665 -2.5665 4.3406 4.3406 4.3431 4.3431 5.9203 5.9203 5.9486 5.9486 6.9224 6.9224 6.9301 6.9301 8.9126 8.9126 8.9342 8.9342 9.3890 9.3890 9.4073 9.4073 9.5802 9.5802 9.5812 9.5812 10.1447 10.1447 10.1655 10.1655 11.8936 11.8936 11.9105 11.9105 16.2501 16.2501 16.2612 16.2612 k = 0.2350 0.4070 0.3214 ( 1704 PWs) bands (ev): -2.6009 -2.6009 -2.5971 -2.5971 4.3581 4.3581 4.3600 4.3600 5.9856 5.9856 6.0144 6.0144 6.9313 6.9313 6.9388 6.9388 8.9021 8.9021 8.9256 8.9256 9.3713 9.3713 9.3878 9.3878 9.6023 9.6023 9.6043 9.6043 10.1606 10.1606 10.1799 10.1799 11.8478 11.8478 11.8655 11.8655 16.2651 16.2651 16.2746 16.2746 k = 0.2295 0.3975 0.3214 ( 1704 PWs) bands (ev): -2.6326 -2.6326 -2.6290 -2.6290 4.3796 4.3796 4.3811 4.3811 6.0497 6.0497 6.0790 6.0790 6.9406 6.9406 6.9477 6.9477 8.8919 8.8919 8.9176 8.9176 9.3522 9.3522 9.3679 9.3679 9.6269 9.6269 9.6292 9.6292 10.1757 10.1757 10.1939 10.1939 11.8020 11.8020 11.8206 11.8206 16.2815 16.2815 16.2895 16.2895 k = 0.2240 0.3881 0.3214 ( 1704 PWs) bands (ev): -2.6656 -2.6656 -2.6622 -2.6622 4.4051 4.4051 4.4061 4.4061 6.1125 6.1125 6.1422 6.1422 6.9501 6.9501 6.9568 6.9568 8.8823 8.8823 8.9104 8.9104 9.3323 9.3323 9.3480 9.3480 9.6534 9.6534 9.6557 9.6557 10.1899 10.1899 10.2073 10.2073 11.7565 11.7565 11.7762 11.7762 16.2989 16.2989 16.3055 16.3055 k = 0.2186 0.3786 0.3214 ( 1704 PWs) bands (ev): -2.6997 -2.6997 -2.6965 -2.6965 4.4345 4.4345 4.4350 4.4350 6.1737 6.1737 6.2038 6.2038 6.9598 6.9598 6.9661 6.9661 8.8732 8.8732 8.9038 8.9038 9.3122 9.3122 9.3284 9.3284 9.6812 9.6812 9.6834 9.6834 10.2032 10.2032 10.2201 10.2201 11.7116 11.7116 11.7325 11.7325 16.3170 16.3170 16.3223 16.3223 k = 0.2131 0.3691 0.3214 ( 1708 PWs) bands (ev): -2.7348 -2.7348 -2.7319 -2.7319 4.4674 4.4674 4.4674 4.4674 6.2333 6.2333 6.2637 6.2637 6.9697 6.9697 6.9755 6.9755 8.8648 8.8648 8.8981 8.8981 9.2921 9.2921 9.3092 9.3092 9.7102 9.7102 9.7122 9.7122 10.2154 10.2154 10.2322 10.2322 11.6678 11.6678 11.6900 11.6900 16.3354 16.3354 16.3395 16.3395 k = 0.2077 0.3597 0.3214 ( 1708 PWs) bands (ev): -2.7708 -2.7708 -2.7681 -2.7681 4.5033 4.5033 4.5037 4.5037 6.2910 6.2910 6.3216 6.3216 6.9796 6.9796 6.9849 6.9849 8.8571 8.8571 8.8932 8.8932 9.2724 9.2724 9.2906 9.2906 9.7402 9.7402 9.7422 9.7422 10.2264 10.2264 10.2436 10.2436 11.6254 11.6254 11.6491 11.6491 16.3541 16.3541 16.3571 16.3571 k = 0.2022 0.3502 0.3214 ( 1708 PWs) bands (ev): -2.8076 -2.8076 -2.8050 -2.8050 4.5424 4.5424 4.5433 4.5433 6.3467 6.3467 6.3775 6.3775 6.9896 6.9896 6.9942 6.9942 8.8501 8.8501 8.8892 8.8892 9.2528 9.2528 9.2725 9.2725 9.7710 9.7710 9.7732 9.7732 10.2361 10.2361 10.2543 10.2543 11.5849 11.5849 11.6102 11.6102 16.3729 16.3729 16.3748 16.3748 k = 0.1967 0.3407 0.3214 ( 1704 PWs) bands (ev): -2.8450 -2.8450 -2.8426 -2.8426 4.5845 4.5845 4.5858 4.5858 6.4004 6.4004 6.4311 6.4311 6.9995 6.9995 7.0035 7.0035 8.8440 8.8440 8.8861 8.8861 9.2339 9.2339 9.2554 9.2554 9.8023 9.8023 9.8051 9.8051 10.2446 10.2446 10.2643 10.2643 11.5465 11.5465 11.5736 11.5736 16.3918 16.3918 16.3927 16.3927 k = 0.1913 0.3313 0.3214 ( 1700 PWs) bands (ev): -2.8829 -2.8829 -2.8807 -2.8807 4.6294 4.6294 4.6311 4.6311 6.4518 6.4518 6.4824 6.4824 7.0093 7.0093 7.0125 7.0125 8.8388 8.8388 8.8840 8.8840 9.2158 9.2158 9.2392 9.2392 9.8339 9.8339 9.8379 9.8379 10.2516 10.2516 10.2737 10.2737 11.5106 11.5106 11.5397 11.5397 16.4108 16.4108 16.4108 16.4108 k = 0.1858 0.3218 0.3214 ( 1696 PWs) bands (ev): -2.9211 -2.9211 -2.9191 -2.9191 4.6769 4.6769 4.6790 4.6790 6.5010 6.5010 6.5313 6.5313 7.0188 7.0188 7.0211 7.0211 8.8345 8.8345 8.8828 8.8828 9.1984 9.1984 9.2239 9.2239 9.8653 9.8653 9.8711 9.8711 10.2572 10.2572 10.2826 10.2826 11.4776 11.4776 11.5087 11.5087 16.4293 16.4293 16.4301 16.4301 k = 0.1803 0.3123 0.3214 ( 1696 PWs) bands (ev): -2.9596 -2.9596 -2.9578 -2.9578 4.7267 4.7267 4.7291 4.7291 6.5479 6.5479 6.5777 6.5777 7.0279 7.0279 7.0294 7.0294 8.8312 8.8312 8.8826 8.8826 9.1817 9.1817 9.2094 9.2094 9.8960 9.8960 9.9045 9.9045 10.2617 10.2617 10.2914 10.2914 11.4478 11.4478 11.4811 11.4811 16.4482 16.4482 16.4499 16.4499 k = 0.1749 0.3029 0.3214 ( 1696 PWs) bands (ev): -2.9983 -2.9983 -2.9966 -2.9966 4.7785 4.7785 4.7813 4.7813 6.5924 6.5924 6.6217 6.6217 7.0366 7.0366 7.0372 7.0372 8.8290 8.8290 8.8832 8.8832 9.1659 9.1659 9.1959 9.1959 9.9252 9.9252 9.9375 9.9375 10.2655 10.2655 10.3008 10.3008 11.4215 11.4215 11.4569 11.4569 16.4679 16.4679 16.4703 16.4703 k = 0.1694 0.2934 0.3214 ( 1700 PWs) bands (ev): -3.0369 -3.0369 -3.0354 -3.0354 4.8322 4.8322 4.8353 4.8353 6.6345 6.6345 6.6630 6.6630 7.0445 7.0445 7.0447 7.0447 8.8277 8.8277 8.8848 8.8848 9.1511 9.1511 9.1834 9.1834 9.9521 9.9521 9.9692 9.9692 10.2694 10.2694 10.3113 10.3113 11.3988 11.3988 11.4364 11.4364 16.4885 16.4885 16.4916 16.4916 k = 0.1639 0.2839 0.3214 ( 1696 PWs) bands (ev): -3.0754 -3.0754 -3.0740 -3.0740 4.8875 4.8875 4.8909 4.8909 6.6743 6.6743 6.7020 6.7020 7.0512 7.0512 7.0523 7.0523 8.8275 8.8275 8.8873 8.8873 9.1372 9.1372 9.1719 9.1719 9.9754 9.9754 9.9982 9.9982 10.2749 10.2749 10.3244 10.3244 11.3800 11.3800 11.4198 11.4198 16.5103 16.5103 16.5141 16.5141 k = 0.1585 0.2745 0.3214 ( 1696 PWs) bands (ev): -3.1137 -3.1137 -3.1124 -3.1124 4.9441 4.9441 4.9477 4.9477 6.7118 6.7118 6.7384 6.7384 7.0572 7.0572 7.0592 7.0592 8.8284 8.8284 8.8906 8.8906 9.1244 9.1244 9.1612 9.1612 9.9938 9.9938 10.0223 10.0223 10.2840 10.2840 10.3411 10.3411 11.3650 11.3650 11.4070 11.4070 16.5334 16.5334 16.5379 16.5379 k = 0.1530 0.2650 0.3214 ( 1706 PWs) bands (ev): -3.1516 -3.1516 -3.1505 -3.1505 5.0017 5.0017 5.0056 5.0056 6.7470 6.7470 6.7724 6.7724 7.0625 7.0625 7.0653 7.0653 8.8303 8.8303 8.8947 8.8947 9.1124 9.1124 9.1515 9.1515 10.0061 10.0061 10.0392 10.0392 10.2990 10.2990 10.3625 10.3625 11.3540 11.3540 11.3979 11.3979 16.5582 16.5582 16.5633 16.5633 k = 0.1475 0.2555 0.3214 ( 1700 PWs) bands (ev): -3.1891 -3.1891 -3.1881 -3.1881 5.0602 5.0602 5.0642 5.0642 6.7801 6.7801 6.8042 6.8042 7.0672 7.0672 7.0707 7.0707 8.8334 8.8334 8.8995 8.8995 9.1017 9.1017 9.1428 9.1428 10.0118 10.0118 10.0474 10.0474 10.3219 10.3219 10.3896 10.3896 11.3469 11.3469 11.3925 11.3925 16.5846 16.5846 16.5905 16.5905 k = 0.1421 0.2461 0.3214 ( 1696 PWs) bands (ev): -3.2260 -3.2260 -3.2251 -3.2251 5.1192 5.1192 5.1234 5.1234 6.8110 6.8110 6.8337 6.8337 7.0713 7.0713 7.0755 7.0755 8.8374 8.8374 8.9051 8.9051 9.0920 9.0920 9.1349 9.1349 10.0108 10.0108 10.0466 10.0466 10.3529 10.3529 10.4223 10.4223 11.3434 11.3434 11.3905 11.3905 16.6129 16.6129 16.6194 16.6194 k = 0.1366 0.2366 0.3214 ( 1696 PWs) bands (ev): -3.2623 -3.2623 -3.2615 -3.2615 5.1785 5.1785 5.1828 5.1828 6.8398 6.8398 6.8611 6.8611 7.0747 7.0747 7.0794 7.0794 8.8423 8.8423 8.9111 8.9111 9.0832 9.0832 9.1277 9.1277 10.0038 10.0038 10.0380 10.0380 10.3912 10.3912 10.4603 10.4603 11.3433 11.3433 11.3916 11.3916 16.6429 16.6429 16.6502 16.6502 k = 0.1311 0.2272 0.3214 ( 1692 PWs) bands (ev): -3.2978 -3.2978 -3.2971 -3.2971 5.2378 5.2378 5.2421 5.2421 6.8667 6.8667 6.8865 6.8865 7.0774 7.0774 7.0826 7.0826 8.8482 8.8482 8.9177 8.9177 9.0754 9.0754 9.1213 9.1213 9.9916 9.9916 10.0233 10.0233 10.4353 10.4353 10.5029 10.5029 11.3464 11.3464 11.3956 11.3956 16.6747 16.6747 16.6827 16.6827 k = 0.1257 0.2177 0.3214 ( 1696 PWs) bands (ev): -3.3325 -3.3325 -3.3318 -3.3318 5.2968 5.2968 5.3012 5.3012 6.8917 6.8917 6.9100 6.9100 7.0797 7.0797 7.0852 7.0852 8.8548 8.8548 8.9245 8.9245 9.0685 9.0685 9.1156 9.1156 9.9749 9.9749 10.0039 10.0039 10.4838 10.4838 10.5494 10.5494 11.3522 11.3522 11.4020 11.4020 16.7079 16.7079 16.7167 16.7167 k = 0.1202 0.2082 0.3214 ( 1696 PWs) bands (ev): -3.3662 -3.3662 -3.3657 -3.3657 5.3553 5.3553 5.3596 5.3596 6.9149 6.9149 6.9316 6.9316 7.0815 7.0815 7.0873 7.0873 8.8622 8.8622 8.9317 8.9317 9.0626 9.0626 9.1105 9.1105 9.9549 9.9549 9.9809 9.9809 10.5359 10.5359 10.5991 10.5991 11.3605 11.3605 11.4105 11.4105 16.7421 16.7421 16.7517 16.7517 k = 0.1148 0.1988 0.3214 ( 1692 PWs) bands (ev): -3.3990 -3.3990 -3.3986 -3.3986 5.4129 5.4129 5.4172 5.4172 6.9365 6.9365 6.9516 6.9516 7.0830 7.0830 7.0889 7.0889 8.8703 8.8703 8.9392 8.9392 9.0575 9.0575 9.1059 9.1059 9.9322 9.9322 9.9555 9.9555 10.5909 10.5909 10.6517 10.6517 11.3709 11.3709 11.4207 11.4207 16.7765 16.7765 16.7870 16.7870 k = 0.1093 0.1893 0.3214 ( 1696 PWs) bands (ev): -3.4307 -3.4307 -3.4303 -3.4303 5.4695 5.4695 5.4737 5.4737 6.9564 6.9564 6.9699 6.9699 7.0842 7.0842 7.0902 7.0902 8.8789 8.8789 8.9467 8.9467 9.0532 9.0532 9.1017 9.1017 9.9074 9.9074 9.9281 9.9281 10.6482 10.6482 10.7065 10.7065 11.3829 11.3829 11.4323 11.4323 16.8102 16.8102 16.8214 16.8214 k = 0.1038 0.1798 0.3214 ( 1704 PWs) bands (ev): -3.4613 -3.4613 -3.4610 -3.4610 5.5247 5.5247 5.5288 5.5288 6.9748 6.9748 6.9867 6.9867 7.0852 7.0852 7.0912 7.0912 8.8879 8.8879 8.9542 8.9542 9.0496 9.0496 9.0979 9.0979 9.8811 9.8811 9.8995 9.8995 10.7075 10.7075 10.7631 10.7631 11.3964 11.3964 11.4450 11.4450 16.8416 16.8416 16.8534 16.8534 k = 0.0984 0.1704 0.3214 ( 1700 PWs) bands (ev): -3.4907 -3.4907 -3.4904 -3.4904 5.5784 5.5784 5.5822 5.5822 6.9918 6.9918 7.0022 7.0022 7.0863 7.0863 7.0922 7.0922 8.8974 8.8974 8.9617 8.9617 9.0468 9.0468 9.0945 9.0945 9.8538 9.8538 9.8700 9.8700 10.7683 10.7683 10.8213 10.8213 11.4109 11.4109 11.4584 11.4584 16.8685 16.8685 16.8808 16.8808 k = 0.0929 0.1609 0.3214 ( 1700 PWs) bands (ev): -3.5188 -3.5188 -3.5186 -3.5186 5.6302 5.6302 5.6338 5.6338 7.0074 7.0074 7.0163 7.0163 7.0874 7.0874 7.0932 7.0932 8.9071 8.9071 8.9690 8.9690 9.0446 9.0446 9.0914 9.0914 9.8259 9.8259 9.8402 9.8402 10.8303 10.8303 10.8807 10.8807 11.4261 11.4261 11.4723 11.4723 16.8882 16.8882 16.9005 16.9005 k = 0.0874 0.1514 0.3214 ( 1700 PWs) bands (ev): -3.5456 -3.5456 -3.5454 -3.5454 5.6799 5.6799 5.6832 5.6832 7.0218 7.0218 7.0291 7.0291 7.0887 7.0887 7.0944 7.0944 8.9171 8.9171 8.9761 8.9761 9.0430 9.0430 9.0884 9.0884 9.7978 9.7978 9.8102 9.8102 10.8932 10.8932 10.9410 10.9410 11.4418 11.4418 11.4863 11.4863 16.8977 16.8977 16.9094 16.9094 k = 0.0820 0.1420 0.3214 ( 1700 PWs) bands (ev): -3.5710 -3.5710 -3.5709 -3.5709 5.7273 5.7273 5.7303 5.7303 7.0349 7.0349 7.0407 7.0407 7.0903 7.0903 7.0958 7.0958 8.9272 8.9272 8.9830 8.9830 9.0418 9.0418 9.0855 9.0855 9.7698 9.7698 9.7806 9.7806 10.9566 10.9566 11.0016 11.0016 11.4576 11.4576 11.5003 11.5003 16.8940 16.8940 16.9045 16.9045 k = 0.0765 0.1325 0.3214 ( 1700 PWs) bands (ev): -3.5950 -3.5950 -3.5949 -3.5949 5.7721 5.7721 5.7748 5.7748 7.0469 7.0469 7.0513 7.0513 7.0922 7.0922 7.0976 7.0976 8.9373 8.9373 8.9894 8.9894 9.0412 9.0412 9.0827 9.0827 9.7423 9.7423 9.7515 9.7515 11.0200 11.0200 11.0623 11.0623 11.4734 11.4734 11.5141 11.5141 16.8759 16.8759 16.8846 16.8846 k = 0.0710 0.1230 0.3214 ( 1696 PWs) bands (ev): -3.6176 -3.6176 -3.6174 -3.6174 5.8143 5.8143 5.8166 5.8166 7.0578 7.0578 7.0608 7.0608 7.0944 7.0944 7.0997 7.0997 8.9474 8.9474 8.9955 8.9955 9.0410 9.0410 9.0800 9.0800 9.7154 9.7154 9.7232 9.7232 11.0831 11.0831 11.1227 11.1227 11.4890 11.4890 11.5274 11.5274 16.8436 16.8436 16.8505 16.8505 k = 0.0656 0.1136 0.3214 ( 1696 PWs) bands (ev): -3.6386 -3.6386 -3.6385 -3.6385 5.8535 5.8535 5.8555 5.8555 7.0678 7.0678 7.0694 7.0694 7.0970 7.0970 7.1022 7.1022 8.9573 8.9573 9.0010 9.0010 9.0412 9.0412 9.0773 9.0773 9.6895 9.6895 9.6959 9.6959 11.1454 11.1454 11.1822 11.1822 11.5041 11.5041 11.5401 11.5401 16.7994 16.7994 16.8045 16.8045 k = 0.0601 0.1041 0.3214 ( 1692 PWs) bands (ev): -3.6581 -3.6581 -3.6580 -3.6580 5.8898 5.8898 5.8914 5.8914 7.0767 7.0767 7.0772 7.0772 7.0999 7.0999 7.1050 7.1050 8.9671 8.9671 9.0061 9.0061 9.0418 9.0418 9.0745 9.0745 9.6649 9.6649 9.6700 9.6700 11.2064 11.2064 11.2403 11.2403 11.5186 11.5186 11.5520 11.5520 16.7464 16.7464 16.7499 16.7499 k = 0.0546 0.0946 0.3214 ( 1690 PWs) bands (ev): -3.6759 -3.6759 -3.6759 -3.6759 5.9229 5.9229 5.9243 5.9243 7.0842 7.0842 7.0848 7.0848 7.1031 7.1031 7.1080 7.1080 8.9764 8.9764 9.0105 9.0105 9.0426 9.0426 9.0716 9.0716 9.6416 9.6416 9.6457 9.6457 11.2655 11.2655 11.2965 11.2965 11.5324 11.5324 11.5631 11.5631 16.6879 16.6879 16.6902 16.6902 k = 0.0492 0.0852 0.3214 ( 1694 PWs) bands (ev): -3.6922 -3.6922 -3.6922 -3.6922 5.9529 5.9529 5.9539 5.9539 7.0907 7.0907 7.0921 7.0921 7.1064 7.1064 7.1111 7.1111 8.9853 8.9853 9.0144 9.0144 9.0435 9.0435 9.0687 9.0687 9.6198 9.6198 9.6229 9.6229 11.3220 11.3220 11.3500 11.3500 11.5453 11.5453 11.5732 11.5732 16.6267 16.6267 16.6281 16.6281 k = 0.0437 0.0757 0.3214 ( 1690 PWs) bands (ev): -3.7069 -3.7069 -3.7069 -3.7069 5.9796 5.9796 5.9803 5.9803 7.0968 7.0968 7.0986 7.0986 7.1099 7.1099 7.1142 7.1142 8.9939 8.9939 9.0178 9.0178 9.0445 9.0445 9.0656 9.0656 9.5999 9.5999 9.6022 9.6022 11.3755 11.3755 11.4005 11.4005 11.5573 11.5573 11.5823 11.5823 16.5654 16.5654 16.5663 16.5663 k = 0.0383 0.0663 0.3214 ( 1694 PWs) bands (ev): -3.7199 -3.7199 -3.7198 -3.7198 6.0030 6.0030 6.0035 6.0035 7.1023 7.1023 7.1043 7.1043 7.1133 7.1133 7.1170 7.1170 9.0018 9.0018 9.0208 9.0208 9.0454 9.0454 9.0624 9.0624 9.5819 9.5819 9.5835 9.5835 11.4250 11.4250 11.4470 11.4470 11.5682 11.5682 11.5902 11.5902 16.5063 16.5063 16.5068 16.5068 k = 0.0328 0.0568 0.3214 ( 1694 PWs) bands (ev): -3.7311 -3.7311 -3.7311 -3.7311 6.0232 6.0232 6.0235 6.0235 7.1073 7.1073 7.1092 7.1092 7.1167 7.1167 7.1197 7.1197 9.0092 9.0092 9.0236 9.0236 9.0461 9.0461 9.0592 9.0592 9.5660 9.5660 9.5670 9.5670 11.4700 11.4700 11.4889 11.4889 11.5780 11.5780 11.5969 11.5969 16.4511 16.4511 16.4514 16.4514 k = 0.0273 0.0473 0.3214 ( 1686 PWs) bands (ev): -3.7407 -3.7407 -3.7407 -3.7407 6.0402 6.0402 6.0404 6.0404 7.1118 7.1118 7.1134 7.1134 7.1199 7.1199 7.1221 7.1221 9.0161 9.0161 9.0263 9.0263 9.0466 9.0466 9.0560 9.0560 9.5523 9.5523 9.5529 9.5529 11.5099 11.5099 11.5257 11.5257 11.5867 11.5867 11.6025 11.6025 16.4017 16.4017 16.4018 16.4018 k = 0.0219 0.0379 0.3214 ( 1688 PWs) bands (ev): -3.7486 -3.7486 -3.7486 -3.7486 6.0540 6.0540 6.0541 6.0541 7.1156 7.1156 7.1167 7.1167 7.1227 7.1227 7.1240 7.1240 9.0222 9.0222 9.0288 9.0288 9.0465 9.0465 9.0527 9.0527 9.5409 9.5409 9.5412 9.5412 11.5438 11.5438 11.5564 11.5564 11.5941 11.5941 11.6068 11.6068 16.3592 16.3592 16.3593 16.3593 k = 0.0164 0.0284 0.3214 ( 1688 PWs) bands (ev): -3.7547 -3.7547 -3.7547 -3.7547 6.0646 6.0646 6.0647 6.0647 7.1187 7.1187 7.1192 7.1192 7.1250 7.1250 7.1257 7.1257 9.0276 9.0276 9.0313 9.0313 9.0460 9.0460 9.0495 9.0495 9.5320 9.5320 9.5321 9.5321 11.5712 11.5712 11.5806 11.5806 11.6004 11.6004 11.6097 11.6097 16.3250 16.3250 16.3250 16.3250 k = 0.0109 0.0189 0.3214 ( 1688 PWs) bands (ev): -3.7591 -3.7591 -3.7591 -3.7591 6.0722 6.0722 6.0722 6.0722 7.1209 7.1209 7.1211 7.1211 7.1267 7.1267 7.1269 7.1269 9.0322 9.0322 9.0338 9.0338 9.0448 9.0448 9.0464 9.0464 9.5255 9.5255 9.5256 9.5256 11.5917 11.5917 11.5976 11.5976 11.6055 11.6055 11.6114 11.6114 16.2998 16.2998 16.2999 16.2999 k = 0.0055 0.0095 0.3214 ( 1688 PWs) bands (ev): -3.7617 -3.7617 -3.7617 -3.7617 6.0768 6.0768 6.0768 6.0768 7.1222 7.1222 7.1222 7.1222 7.1277 7.1277 7.1277 7.1277 9.0359 9.0359 9.0362 9.0362 9.0433 9.0433 9.0436 9.0436 9.5216 9.5216 9.5216 9.5216 11.6046 11.6046 11.6066 11.6066 11.6100 11.6100 11.6119 11.6119 16.2845 16.2845 16.2845 16.2845 k = 0.0000 0.0000 0.3214 ( 1688 PWs) bands (ev): -3.7626 -3.7626 -3.7626 -3.7626 6.0783 6.0783 6.0783 6.0783 7.1226 7.1226 7.1226 7.1226 7.1280 7.1280 7.1280 7.1280 9.0377 9.0377 9.0377 9.0377 9.0421 9.0421 9.0421 9.0421 9.5203 9.5203 9.5203 9.5203 11.6092 11.6092 11.6092 11.6092 11.6119 11.6119 11.6119 11.6119 16.2793 16.2793 16.2793 16.2793 k = 0.5000 0.2887 0.3214 ( 1716 PWs) bands (ev): -2.4953 -2.4953 -2.4953 -2.4953 3.7405 3.7405 3.7405 3.7405 6.7672 6.7672 6.7672 6.7672 6.8534 6.8534 6.8534 6.8534 8.7872 8.7872 8.7872 8.7872 9.4482 9.4482 9.4482 9.4482 9.6187 9.6187 9.6187 9.6187 10.7410 10.7410 10.7410 10.7410 11.4471 11.4471 11.4471 11.4471 14.5143 14.5143 14.5143 14.5143 k = 0.5000 0.2887 0.3107 ( 1712 PWs) bands (ev): -2.5043 -2.5043 -2.4865 -2.4865 3.7066 3.7066 3.7770 3.7770 6.7459 6.7459 6.7888 6.7888 6.8346 6.8346 6.8702 6.8702 8.7487 8.7487 8.8247 8.8247 9.4429 9.4429 9.4535 9.4535 9.6100 9.6100 9.6277 9.6277 10.6683 10.6683 10.8150 10.8150 11.3881 11.3881 11.5047 11.5047 14.4184 14.4184 14.6144 14.6144 k = 0.5000 0.2887 0.2999 ( 1708 PWs) bands (ev): -2.5134 -2.5134 -2.4780 -2.4780 3.6753 3.6753 3.8162 3.8162 6.7250 6.7250 6.8084 6.8084 6.8162 6.8162 6.8847 6.8847 8.7093 8.7093 8.8612 8.8612 9.4377 9.4377 9.4585 9.4585 9.6014 9.6014 9.6368 9.6368 10.5970 10.5970 10.8901 10.8901 11.3284 11.3284 11.5604 11.5604 14.3279 14.3279 14.7172 14.7172 k = 0.5000 0.2887 0.2892 ( 1708 PWs) bands (ev): -2.5227 -2.5227 -2.4696 -2.4696 3.6467 3.6467 3.8579 3.8579 6.7045 6.7045 6.7904 6.7904 6.8338 6.8338 6.8967 6.8967 8.6693 8.6693 8.8964 8.8964 9.4324 9.4324 9.4633 9.4633 9.5929 9.5929 9.6459 9.6459 10.5271 10.5271 10.9662 10.9662 11.2685 11.2685 11.6133 11.6133 14.2443 14.2443 14.8213 14.8213 k = 0.5000 0.2887 0.2785 ( 1704 PWs) bands (ev): -2.5320 -2.5320 -2.4615 -2.4615 3.6206 3.6206 3.9022 3.9022 6.6846 6.6846 6.7663 6.7663 6.8560 6.8560 6.9062 6.9062 8.6288 8.6288 8.9303 8.9303 9.4270 9.4270 9.4680 9.4680 9.5847 9.5847 9.6552 9.6552 10.4588 10.4588 11.0432 11.0432 11.2090 11.2090 11.6628 11.6628 14.1688 14.1688 14.9252 14.9252 k = 0.5000 0.2887 0.2678 ( 1704 PWs) bands (ev): -2.5414 -2.5414 -2.4537 -2.4537 3.5970 3.5970 3.9491 3.9491 6.6651 6.6651 6.7408 6.7408 6.8782 6.8782 6.9131 6.9131 8.5878 8.5878 8.9626 8.9626 9.4217 9.4217 9.4723 9.4723 9.5767 9.5767 9.6646 9.6646 10.3922 10.3922 11.1192 11.1192 11.1520 11.1520 11.7077 11.7077 14.1029 14.1029 15.0275 15.0275 k = 0.5000 0.2887 0.2571 ( 1700 PWs) bands (ev): -2.5507 -2.5507 -2.4462 -2.4462 3.5760 3.5760 3.9984 3.9984 6.6462 6.6462 6.7140 6.7140 6.8986 6.8986 6.9189 6.9189 8.5467 8.5467 8.9933 8.9933 9.4165 9.4165 9.4763 9.4763 9.5689 9.5689 9.6740 9.6740 10.3274 10.3274 11.0908 11.0908 11.2009 11.2009 11.7475 11.7475 14.0477 14.0477 15.1267 15.1267 k = 0.5000 0.2887 0.2464 ( 1702 PWs) bands (ev): -2.5601 -2.5601 -2.4391 -2.4391 3.5574 3.5574 4.0502 4.0502 6.6279 6.6279 6.6862 6.6862 6.9090 6.9090 6.9315 6.9315 8.5052 8.5052 9.0223 9.0223 9.4113 9.4113 9.4800 9.4800 9.5613 9.5613 9.6836 9.6836 10.2646 10.2646 11.0344 11.0344 11.2798 11.2798 11.7814 11.7814 14.0044 14.0044 15.2215 15.2215 k = 0.5000 0.2887 0.2357 ( 1702 PWs) bands (ev): -2.5694 -2.5694 -2.4322 -2.4322 3.5411 3.5411 4.1044 4.1044 6.6101 6.6101 6.6576 6.6576 6.9077 6.9077 6.9523 6.9523 8.4640 8.4640 9.0494 9.0494 9.4063 9.4063 9.4831 9.4831 9.5539 9.5539 9.6932 9.6932 10.2037 10.2037 10.9794 10.9794 11.3592 11.3592 11.8087 11.8087 13.9739 13.9739 15.3103 15.3103 k = 0.5000 0.2887 0.2250 ( 1702 PWs) bands (ev): -2.5787 -2.5787 -2.4257 -2.4257 3.5271 3.5271 4.1608 4.1608 6.5929 6.5929 6.6285 6.6285 6.9010 6.9010 6.9749 6.9749 8.4229 8.4229 9.0745 9.0745 9.4014 9.4014 9.4857 9.4857 9.5469 9.5469 9.7029 9.7029 10.1451 10.1451 10.9261 10.9261 11.4388 11.4388 11.8292 11.8292 13.9568 13.9568 15.3922 15.3922 k = 0.5000 0.2887 0.2142 ( 1704 PWs) bands (ev): -2.5878 -2.5878 -2.4196 -2.4196 3.5153 3.5153 4.2195 4.2195 6.5760 6.5760 6.5992 6.5992 6.8902 6.8902 6.9979 6.9979 8.3822 8.3822 9.0976 9.0976 9.3968 9.3968 9.4877 9.4877 9.5401 9.5401 9.7125 9.7125 10.0889 10.0889 10.8748 10.8748 11.5185 11.5185 11.8428 11.8428 13.9534 13.9534 15.4663 15.4663 k = 0.5000 0.2887 0.2035 ( 1708 PWs) bands (ev): -2.5967 -2.5967 -2.4137 -2.4137 3.5055 3.5055 4.2803 4.2803 6.5585 6.5585 6.5709 6.5709 6.8755 6.8755 7.0209 7.0209 8.3422 8.3422 9.1185 9.1185 9.3923 9.3923 9.4890 9.4890 9.5335 9.5335 9.7220 9.7220 10.0351 10.0351 10.8256 10.8256 11.5977 11.5977 11.8499 11.8499 13.9635 13.9635 15.5319 15.5319 k = 0.5000 0.2887 0.1928 ( 1710 PWs) bands (ev): -2.6054 -2.6054 -2.4083 -2.4083 3.4977 3.4977 4.3431 4.3431 6.5352 6.5352 6.5490 6.5490 6.8567 6.8567 7.0438 7.0438 8.3027 8.3027 9.1374 9.1374 9.3881 9.3881 9.4895 9.4895 9.5271 9.5271 9.7316 9.7316 9.9843 9.9843 10.7786 10.7786 11.6762 11.6762 11.8515 11.8515 13.9869 13.9869 15.5891 15.5891 k = 0.5000 0.2887 0.1821 ( 1706 PWs) bands (ev): -2.6138 -2.6138 -2.4032 -2.4032 3.4918 3.4918 4.4077 4.4077 6.5066 6.5066 6.5335 6.5335 6.8339 6.8339 7.0664 7.0664 8.2642 8.2642 9.1541 9.1541 9.3841 9.3841 9.4891 9.4891 9.5209 9.5209 9.7412 9.7412 9.9367 9.9367 10.7340 10.7340 11.7523 11.7523 11.8495 11.8495 14.0226 14.0226 15.6379 15.6379 k = 0.5000 0.2887 0.1714 ( 1702 PWs) bands (ev): -2.6220 -2.6220 -2.3984 -2.3984 3.4875 3.4875 4.4741 4.4741 6.4772 6.4772 6.5195 6.5195 6.8072 6.8072 7.0887 7.0887 8.2268 8.2268 9.1688 9.1688 9.3803 9.3803 9.4877 9.4877 9.5148 9.5148 9.7505 9.7505 9.8925 9.8925 10.6919 10.6919 11.8123 11.8123 11.8584 11.8584 14.0699 14.0699 15.6789 15.6789 k = 0.5000 0.2887 0.1607 ( 1702 PWs) bands (ev): -2.6299 -2.6299 -2.3940 -2.3940 3.4847 3.4847 4.5420 4.5420 6.4481 6.4481 6.5064 6.5064 6.7765 6.7765 7.1105 7.1105 8.1905 8.1905 9.1814 9.1814 9.3766 9.3766 9.4854 9.4854 9.5085 9.5085 9.7594 9.7594 9.8521 9.8521 10.6523 10.6523 11.8170 11.8170 11.9181 11.9181 14.1276 14.1276 15.7128 15.7128 k = 0.5000 0.2887 0.1500 ( 1702 PWs) bands (ev): -2.6375 -2.6375 -2.3900 -2.3900 3.4833 3.4833 4.6113 4.6113 6.4195 6.4195 6.4942 6.4942 6.7420 6.7420 7.1317 7.1317 8.1557 8.1557 9.1920 9.1920 9.3730 9.3730 9.4819 9.4819 9.5020 9.5020 9.7678 9.7678 9.8162 9.8162 10.6152 10.6152 11.8051 11.8051 11.9906 11.9906 14.1947 14.1947 15.7403 15.7403 k = 0.5000 0.2887 0.1393 ( 1702 PWs) bands (ev): -2.6446 -2.6446 -2.3863 -2.3863 3.4831 3.4831 4.6818 4.6818 6.3917 6.3917 6.4829 6.4829 6.7037 6.7037 7.1522 7.1522 8.1224 8.1224 9.2009 9.2009 9.3694 9.3694 9.4770 9.4770 9.4956 9.4956 9.7725 9.7725 9.7880 9.7880 10.5807 10.5807 11.7902 11.7902 12.0629 12.0629 14.2701 14.2701 15.7624 15.7624 k = 0.5000 0.2887 0.1285 ( 1702 PWs) bands (ev): -2.6514 -2.6514 -2.3828 -2.3828 3.4839 3.4839 4.7532 4.7532 6.3650 6.3650 6.4723 6.4723 6.6619 6.6619 7.1720 7.1720 8.0911 8.0911 9.2080 9.2080 9.3656 9.3656 9.4700 9.4700 9.4898 9.4898 9.7539 9.7539 9.7871 9.7871 10.5490 10.5490 11.7742 11.7742 12.1333 12.1333 14.3529 14.3529 15.7800 15.7800 k = 0.5000 0.2887 0.1178 ( 1698 PWs) bands (ev): -2.6577 -2.6577 -2.3798 -2.3798 3.4855 3.4855 4.8252 4.8252 6.3394 6.3394 6.4625 6.4625 6.6170 6.6170 7.1908 7.1908 8.0615 8.0615 9.2138 9.2138 9.3613 9.3613 9.4614 9.4614 9.4850 9.4850 9.7318 9.7318 9.7939 9.7939 10.5197 10.5197 11.7581 11.7581 12.2011 12.2011 14.4423 14.4423 15.7936 15.7936 k = 0.5000 0.2887 0.1071 ( 1702 PWs) bands (ev): -2.6636 -2.6636 -2.3770 -2.3770 3.4878 3.4878 4.8976 4.8976 6.3152 6.3152 6.4536 6.4536 6.5691 6.5691 7.2086 7.2086 8.0338 8.0338 9.2182 9.2182 9.3561 9.3561 9.4515 9.4515 9.4809 9.4809 9.7133 9.7133 9.8008 9.8008 10.4931 10.4931 11.7424 11.7424 12.2658 12.2658 14.5374 14.5374 15.8041 15.8041 k = 0.5000 0.2887 0.0964 ( 1710 PWs) bands (ev): -2.6689 -2.6689 -2.3746 -2.3746 3.4906 3.4906 4.9698 4.9698 6.2926 6.2926 6.4452 6.4452 6.5189 6.5189 7.2252 7.2252 8.0082 8.0082 9.2214 9.2214 9.3501 9.3501 9.4414 9.4414 9.4774 9.4774 9.6985 9.6985 9.8072 9.8072 10.4691 10.4691 11.7277 11.7277 12.3267 12.3267 14.6376 14.6376 15.8121 15.8121 k = 0.5000 0.2887 0.0857 ( 1710 PWs) bands (ev): -2.6738 -2.6738 -2.3724 -2.3724 3.4937 3.4937 5.0414 5.0414 6.2718 6.2718 6.4376 6.4376 6.4671 6.4671 7.2405 7.2405 7.9851 7.9851 9.2237 9.2237 9.3431 9.3431 9.4321 9.4321 9.4745 9.4745 9.6870 9.6870 9.8130 9.8130 10.4477 10.4477 11.7142 11.7142 12.3834 12.3834 14.7422 14.7422 15.8181 15.8181 k = 0.5000 0.2887 0.0750 ( 1710 PWs) bands (ev): -2.6782 -2.6782 -2.3705 -2.3705 3.4969 3.4969 5.1117 5.1117 6.2530 6.2530 6.4121 6.4121 6.4328 6.4328 7.2544 7.2544 7.9644 7.9644 9.2252 9.2252 9.3350 9.3350 9.4241 9.4241 9.4720 9.4720 9.6782 9.6782 9.8183 9.8183 10.4289 10.4289 11.7021 11.7021 12.4352 12.4352 14.8507 14.8507 15.8225 15.8225 k = 0.5000 0.2887 0.0643 ( 1706 PWs) bands (ev): -2.6820 -2.6820 -2.3689 -2.3689 3.5000 3.5000 5.1796 5.1796 6.2363 6.2363 6.3593 6.3593 6.4266 6.4266 7.2667 7.2667 7.9463 7.9463 9.2261 9.2261 9.3264 9.3264 9.4177 9.4177 9.4698 9.4698 9.6715 9.6715 9.8230 9.8230 10.4127 10.4127 11.6915 11.6915 12.4817 12.4817 14.9624 14.9624 15.8257 15.8257 k = 0.5000 0.2887 0.0536 ( 1702 PWs) bands (ev): -2.6852 -2.6852 -2.3676 -2.3676 3.5030 3.5030 5.2441 5.2441 6.2219 6.2219 6.3070 6.3070 6.4217 6.4217 7.2774 7.2774 7.9309 7.9309 9.2266 9.2266 9.3179 9.3179 9.4129 9.4129 9.4681 9.4681 9.6665 9.6665 9.8269 9.8269 10.3990 10.3990 11.6826 11.6826 12.5221 12.5221 15.0767 15.0767 15.8279 15.8279 k = 0.5000 0.2887 0.0428 ( 1704 PWs) bands (ev): -2.6879 -2.6879 -2.3665 -2.3665 3.5056 3.5056 5.3034 5.3034 6.2099 6.2099 6.2576 6.2576 6.4178 6.4178 7.2863 7.2863 7.9180 7.9180 9.2266 9.2266 9.3102 9.3102 9.4094 9.4094 9.4666 9.4666 9.6630 9.6630 9.8300 9.8300 10.3877 10.3877 11.6752 11.6752 12.5561 12.5561 15.1925 15.1925 15.8294 15.8294 k = 0.5000 0.2887 0.0321 ( 1698 PWs) bands (ev): -2.6900 -2.6900 -2.3657 -2.3657 3.5077 3.5077 5.3551 5.3551 6.2004 6.2004 6.2135 6.2135 6.4147 6.4147 7.2933 7.2933 7.9079 7.9079 9.2266 9.2266 9.3037 9.3037 9.4071 9.4071 9.4655 9.4655 9.6605 9.6605 9.8325 9.8325 10.3790 10.3790 11.6695 11.6695 12.5831 12.5831 15.3085 15.3085 15.8304 15.8304 k = 0.5000 0.2887 0.0214 ( 1698 PWs) bands (ev): -2.6915 -2.6915 -2.3651 -2.3651 3.5093 3.5093 5.3961 5.3961 6.1779 6.1779 6.1936 6.1936 6.4125 6.4125 7.2984 7.2984 7.9007 7.9007 9.2263 9.2263 9.2988 9.2988 9.4054 9.4054 9.4646 9.4646 9.6587 9.6587 9.8343 9.8343 10.3728 10.3728 11.6655 11.6655 12.6026 12.6026 15.4211 15.4211 15.8310 15.8310 k = 0.5000 0.2887 0.0107 ( 1698 PWs) bands (ev): -2.6924 -2.6924 -2.3647 -2.3647 3.5103 3.5103 5.4229 5.4229 6.1543 6.1543 6.1894 6.1894 6.4112 6.4112 7.3015 7.3015 7.8964 7.8964 9.2261 9.2261 9.2958 9.2958 9.4045 9.4045 9.4641 9.4641 9.6577 9.6577 9.8354 9.8354 10.3691 10.3691 11.6630 11.6630 12.6145 12.6145 15.5199 15.5199 15.8314 15.8314 k = 0.5000 0.2887-0.0000 ( 1698 PWs) bands (ev): -2.6927 -2.6927 -2.3646 -2.3646 3.5107 3.5107 5.4322 5.4322 6.1461 6.1461 6.1880 6.1880 6.4108 6.4108 7.3025 7.3025 7.8949 7.8949 9.2260 9.2260 9.2948 9.2948 9.4042 9.4042 9.4640 9.4640 9.6574 9.6574 9.8358 9.8358 10.3679 10.3679 11.6622 11.6622 12.6185 12.6185 15.5676 15.5676 15.8315 15.8315 k = 0.3333 0.5774-0.0000 ( 1719 PWs) bands (ev): -2.3466 -2.3466 -2.3400 -2.3400 3.7974 3.7974 5.1612 5.1612 5.1659 5.1659 6.3526 6.3526 6.3612 6.3612 6.5790 6.5790 8.7924 8.7924 9.2040 9.2040 9.3990 9.3990 9.4532 9.4532 9.5165 9.5165 9.7021 9.7021 10.3380 10.3380 10.4655 10.4655 10.8519 10.8519 10.9221 10.9221 13.8092 13.8092 18.5702 18.5702 k = 0.3333 0.5774 0.0107 ( 1719 PWs) bands (ev): -2.3465 -2.3465 -2.3399 -2.3399 3.7987 3.7987 5.1591 5.1591 5.1638 5.1638 6.3546 6.3546 6.3632 6.3632 6.5758 6.5758 8.7930 8.7930 9.2039 9.2039 9.3967 9.3967 9.4554 9.4554 9.5167 9.5167 9.7016 9.7016 10.3350 10.3350 10.4613 10.4613 10.8583 10.8583 10.9272 10.9272 13.8141 13.8141 18.5698 18.5698 k = 0.3333 0.5774 0.0214 ( 1719 PWs) bands (ev): -2.3463 -2.3463 -2.3397 -2.3397 3.8027 3.8027 5.1530 5.1530 5.1576 5.1576 6.3605 6.3605 6.3691 6.3691 6.5664 6.5664 8.7947 8.7947 9.2034 9.2034 9.3907 9.3907 9.4612 9.4612 9.5171 9.5171 9.7002 9.7002 10.3265 10.3265 10.4497 10.4497 10.8767 10.8767 10.9421 10.9421 13.8289 13.8289 18.5683 18.5683 k = 0.3333 0.5774 0.0321 ( 1716 PWs) bands (ev): -2.3460 -2.3460 -2.3394 -2.3394 3.8093 3.8093 5.1430 5.1430 5.1476 5.1476 6.3701 6.3701 6.3787 6.3787 6.5508 6.5508 8.7976 8.7976 9.2026 9.2026 9.3822 9.3822 9.4692 9.4692 9.5177 9.5177 9.6979 9.6979 10.3131 10.3131 10.4322 10.4322 10.9053 10.9053 10.9660 10.9660 13.8535 13.8535 18.5659 18.5659 k = 0.3333 0.5774 0.0428 ( 1704 PWs) bands (ev): -2.3455 -2.3455 -2.3389 -2.3389 3.8186 3.8186 5.1293 5.1293 5.1339 5.1339 6.3832 6.3832 6.3918 6.3918 6.5293 6.5293 8.8020 8.8020 9.2016 9.2016 9.3726 9.3726 9.4785 9.4785 9.5189 9.5189 9.6945 9.6945 10.2960 10.2960 10.4109 10.4109 10.9420 10.9420 10.9978 10.9978 13.8878 13.8878 18.5623 18.5623 k = 0.3333 0.5774 0.0536 ( 1704 PWs) bands (ev): -2.3449 -2.3449 -2.3383 -2.3383 3.8305 3.8305 5.1125 5.1125 5.1169 5.1169 6.3993 6.3993 6.4079 6.4079 6.5020 6.5020 8.8072 8.8072 9.2001 9.2001 9.3618 9.3618 9.4885 9.4885 9.5203 9.5203 9.6900 9.6900 10.2761 10.2761 10.3874 10.3874 10.9851 10.9851 11.0364 11.0364 13.9315 13.9315 18.5576 18.5576 k = 0.3333 0.5774 0.0643 ( 1710 PWs) bands (ev): -2.3442 -2.3442 -2.3376 -2.3376 3.8451 3.8451 5.0928 5.0928 5.0971 5.0971 6.4180 6.4180 6.4267 6.4267 6.4691 6.4691 8.8133 8.8133 9.1981 9.1981 9.3505 9.3505 9.4988 9.4988 9.5219 9.5219 9.6845 9.6845 10.2543 10.2543 10.3628 10.3628 11.0335 11.0335 11.0807 11.0807 13.9844 13.9844 18.5516 18.5516 k = 0.3333 0.5774 0.0750 ( 1701 PWs) bands (ev): -2.3434 -2.3434 -2.3368 -2.3368 3.8622 3.8622 5.0708 5.0708 5.0750 5.0750 6.4308 6.4308 6.4391 6.4391 6.4480 6.4480 8.8208 8.8208 9.1959 9.1959 9.3388 9.3388 9.5099 9.5099 9.5242 9.5242 9.6781 9.6781 10.2315 10.2315 10.3379 10.3379 11.0862 11.0862 11.1300 11.1300 14.0463 14.0463 18.5440 18.5440 k = 0.3333 0.5774 0.0857 ( 1713 PWs) bands (ev): -2.3425 -2.3425 -2.3359 -2.3359 3.8820 3.8820 5.0468 5.0468 5.0508 5.0508 6.3880 6.3880 6.4618 6.4618 6.4706 6.4706 8.8292 8.8292 9.1929 9.1929 9.3266 9.3266 9.5212 9.5212 9.5272 9.5272 9.6703 9.6703 10.2079 10.2079 10.3128 10.3128 11.1424 11.1424 11.1833 11.1833 14.1169 14.1169 18.5344 18.5344 k = 0.3333 0.5774 0.0964 ( 1713 PWs) bands (ev): -2.3414 -2.3414 -2.3349 -2.3349 3.9043 3.9043 5.0214 5.0214 5.0252 5.0252 6.3406 6.3406 6.4859 6.4859 6.4947 6.4947 8.8386 8.8386 9.1895 9.1895 9.3142 9.3142 9.5307 9.5307 9.5330 9.5330 9.6616 9.6616 10.1843 10.1843 10.2883 10.2883 11.2020 11.2020 11.2404 11.2404 14.1957 14.1957 18.5212 18.5212 k = 0.3333 0.5774 0.1071 ( 1713 PWs) bands (ev): -2.3403 -2.3403 -2.3338 -2.3338 3.9292 3.9292 4.9950 4.9950 4.9986 4.9986 6.2890 6.2890 6.5110 6.5110 6.5197 6.5197 8.8491 8.8491 9.1855 9.1855 9.3016 9.3016 9.5350 9.5350 9.5450 9.5450 9.6518 9.6518 10.1608 10.1608 10.2644 10.2644 11.2643 11.2643 11.3007 11.3007 14.2825 14.2825 18.4529 18.4529 k = 0.3333 0.5774 0.1178 ( 1713 PWs) bands (ev): -2.3392 -2.3392 -2.3326 -2.3326 3.9566 3.9566 4.9678 4.9678 4.9713 4.9713 6.2337 6.2337 6.5367 6.5367 6.5454 6.5454 8.8605 8.8605 9.1811 9.1811 9.2890 9.2890 9.5401 9.5401 9.5573 9.5573 9.6410 9.6410 10.1376 10.1376 10.2411 10.2411 11.3290 11.3290 11.3636 11.3636 14.3768 14.3768 18.3146 18.3146 k = 0.3333 0.5774 0.1285 ( 1707 PWs) bands (ev): -2.3379 -2.3379 -2.3314 -2.3314 3.9866 3.9866 4.9404 4.9404 4.9437 4.9437 6.1750 6.1750 6.5626 6.5626 6.5714 6.5714 8.8728 8.8728 9.1761 9.1761 9.2763 9.2763 9.5459 9.5459 9.5697 9.5697 9.6295 9.6295 10.1150 10.1150 10.2186 10.2186 11.3958 11.3958 11.4288 11.4288 14.4784 14.4784 18.1729 18.1729 k = 0.3333 0.5774 0.1393 ( 1707 PWs) bands (ev): -2.3366 -2.3366 -2.3301 -2.3301 4.0190 4.0190 4.9129 4.9129 4.9161 4.9161 6.1134 6.1134 6.5885 6.5885 6.5973 6.5973 8.8861 8.8861 9.1707 9.1707 9.2639 9.2639 9.5525 9.5525 9.5815 9.5815 9.6177 9.6177 10.0927 10.0927 10.1966 10.1966 11.4643 11.4643 11.4958 11.4958 14.5866 14.5866 18.0311 18.0311 k = 0.3333 0.5774 0.1500 ( 1704 PWs) bands (ev): -2.3353 -2.3353 -2.3288 -2.3288 4.0539 4.0539 4.8857 4.8857 4.8887 4.8887 6.0491 6.0491 6.6141 6.6141 6.6228 6.6228 8.9003 8.9003 9.1649 9.1649 9.2516 9.2516 9.5599 9.5599 9.5886 9.5886 9.6098 9.6098 10.0709 10.0709 10.1753 10.1753 11.5341 11.5341 11.5643 11.5643 14.7012 14.7012 17.8901 17.8901 k = 0.3333 0.5774 0.1607 ( 1704 PWs) bands (ev): -2.3340 -2.3340 -2.3275 -2.3275 4.0912 4.0912 4.8591 4.8591 4.8619 4.8619 5.9826 5.9826 6.6391 6.6391 6.6478 6.6478 8.9151 8.9151 9.1588 9.1588 9.2398 9.2398 9.5680 9.5680 9.5809 9.5809 9.6159 9.6159 10.0498 10.0498 10.1547 10.1547 11.6049 11.6049 11.6337 11.6337 14.8217 14.8217 17.7509 17.7509 k = 0.3333 0.5774 0.1714 ( 1710 PWs) bands (ev): -2.3327 -2.3327 -2.3262 -2.3262 4.1309 4.1309 4.8332 4.8332 4.8358 4.8358 5.9142 5.9142 6.6633 6.6633 6.6720 6.6720 8.9301 8.9301 9.1524 9.1524 9.2284 9.2284 9.5662 9.5662 9.5768 9.5768 9.6283 9.6283 10.0291 10.0291 10.1346 10.1346 11.6762 11.6762 11.7038 11.7038 14.9478 14.9478 17.6142 17.6142 k = 0.3333 0.5774 0.1821 ( 1704 PWs) bands (ev): -2.3313 -2.3313 -2.3249 -2.3249 4.1729 4.1729 4.8083 4.8083 4.8108 4.8108 5.8442 5.8442 6.6867 6.6867 6.6954 6.6954 8.9461 8.9461 9.1460 9.1460 9.2177 9.2177 9.5496 9.5496 9.5864 9.5864 9.6420 9.6420 10.0091 10.0091 10.1151 10.1151 11.7476 11.7476 11.7739 11.7739 15.0789 15.0789 17.4808 17.4808 k = 0.3333 0.5774 0.1928 ( 1704 PWs) bands (ev): -2.3300 -2.3300 -2.3236 -2.3236 4.2173 4.2173 4.7846 4.7846 4.7869 4.7869 5.7730 5.7730 6.7088 6.7088 6.7175 6.7175 8.9624 8.9624 9.1395 9.1395 9.2080 9.2080 9.5317 9.5317 9.5966 9.5966 9.6562 9.6562 9.9896 9.9896 10.0961 10.0961 11.8185 11.8185 11.8435 11.8435 15.2146 15.2146 17.3515 17.3515 k = 0.3333 0.5774 0.2035 ( 1692 PWs) bands (ev): -2.3288 -2.3288 -2.3223 -2.3223 4.2639 4.2639 4.7623 4.7623 4.7644 4.7644 5.7007 5.7007 6.7298 6.7298 6.7384 6.7384 8.9789 8.9789 9.1331 9.1331 9.1994 9.1994 9.5130 9.5130 9.6074 9.6074 9.6708 9.6708 9.9708 9.9708 10.0779 10.0779 11.8882 11.8882 11.9120 11.9120 15.3545 15.3545 17.2273 17.2273 k = 0.3333 0.5774 0.2142 ( 1689 PWs) bands (ev): -2.3276 -2.3276 -2.3212 -2.3212 4.3127 4.3127 4.7413 4.7413 4.7433 4.7433 5.6278 5.6278 6.7492 6.7492 6.7579 6.7579 8.9953 8.9953 9.1269 9.1269 9.1922 9.1922 9.4934 9.4934 9.6187 9.6187 9.6854 9.6854 9.9523 9.9523 10.0599 10.0599 11.9562 11.9562 11.9787 11.9787 15.4981 15.4981 17.1090 17.1090 k = 0.3333 0.5774 0.2250 ( 1689 PWs) bands (ev): -2.3264 -2.3264 -2.3200 -2.3200 4.3636 4.3636 4.7221 4.7221 4.7239 4.7239 5.5545 5.5545 6.7671 6.7671 6.7758 6.7758 9.0112 9.0112 9.1209 9.1209 9.1866 9.1866 9.4732 9.4732 9.6304 9.6304 9.7000 9.7000 9.9344 9.9344 10.0425 10.0425 12.0215 12.0215 12.0429 12.0429 15.6450 15.6450 16.9975 16.9975 k = 0.3333 0.5774 0.2357 ( 1689 PWs) bands (ev): -2.3254 -2.3254 -2.3190 -2.3190 4.4167 4.4167 4.7045 4.7045 4.7063 4.7063 5.4809 5.4809 6.7834 6.7834 6.7921 6.7921 9.0261 9.0261 9.1152 9.1152 9.1834 9.1834 9.4524 9.4524 9.6424 9.6424 9.7146 9.7146 9.9170 9.9170 10.0256 10.0256 12.0836 12.0836 12.1037 12.1037 15.7947 15.7947 16.8939 16.8939 k = 0.3333 0.5774 0.2464 ( 1686 PWs) bands (ev): -2.3245 -2.3245 -2.3181 -2.3181 4.4718 4.4718 4.6888 4.6888 4.6905 4.6905 5.4073 5.4073 6.7980 6.7980 6.8067 6.8067 9.0396 9.0396 9.1100 9.1100 9.1831 9.1831 9.4311 9.4311 9.6547 9.6547 9.7290 9.7290 9.9002 9.9002 10.0093 10.0093 12.1414 12.1414 12.1603 12.1603 15.9465 15.9465 16.7991 16.7991 k = 0.3333 0.5774 0.2571 ( 1680 PWs) bands (ev): -2.3236 -2.3236 -2.3172 -2.3172 4.5288 4.5288 4.6750 4.6750 4.6766 4.6766 5.3340 5.3340 6.8108 6.8108 6.8195 6.8195 9.0507 9.0507 9.1054 9.1054 9.1862 9.1862 9.4098 9.4098 9.6670 9.6670 9.7430 9.7430 9.8841 9.8841 9.9938 9.9938 12.1941 12.1941 12.2119 12.2119 16.1001 16.1001 16.7142 16.7142 k = 0.3333 0.5774 0.2678 ( 1680 PWs) bands (ev): -2.3229 -2.3229 -2.3165 -2.3165 4.5876 4.5876 4.6632 4.6632 4.6648 4.6648 5.2612 5.2612 6.8217 6.8217 6.8304 6.8304 9.0592 9.0592 9.1013 9.1013 9.1931 9.1931 9.3881 9.3881 9.6791 9.6791 9.7564 9.7564 9.8688 9.8688 9.9792 9.9792 12.2408 12.2408 12.2575 12.2575 16.2546 16.2546 16.6402 16.6402 k = 0.3333 0.5774 0.2785 ( 1689 PWs) bands (ev): -2.3223 -2.3223 -2.3159 -2.3159 4.6478 4.6478 4.6535 4.6535 4.6554 4.6554 5.1889 5.1889 6.8306 6.8306 6.8393 6.8393 9.0650 9.0650 9.0977 9.0977 9.2035 9.2035 9.3664 9.3664 9.6909 9.6909 9.7688 9.7688 9.8544 9.8544 9.9657 9.9657 12.2805 12.2805 12.2963 12.2963 16.4089 16.4089 16.5789 16.5789 k = 0.3333 0.5774 0.2892 ( 1689 PWs) bands (ev): -2.3218 -2.3218 -2.3154 -2.3154 4.6459 4.6459 4.6471 4.6471 4.7108 4.7108 5.1175 5.1175 6.8377 6.8377 6.8464 6.8464 9.0687 9.0687 9.0950 9.0950 9.2170 9.2170 9.3450 9.3450 9.7017 9.7017 9.7798 9.7798 9.8417 9.8417 9.9540 9.9540 12.3124 12.3124 12.3274 12.3274 16.5212 16.5212 16.5720 16.5720 k = 0.3333 0.5774 0.2999 ( 1689 PWs) bands (ev): -2.3215 -2.3215 -2.3151 -2.3151 4.6404 4.6404 4.6417 4.6417 4.7746 4.7746 5.0471 5.0471 6.8428 6.8428 6.8514 6.8514 9.0708 9.0708 9.0930 9.0930 9.2323 9.2323 9.3245 9.3245 9.7109 9.7109 9.7887 9.7887 9.8312 9.8312 9.9446 9.9446 12.3357 12.3357 12.3502 12.3502 16.4903 16.4903 16.5530 16.5530 k = 0.3333 0.5774 0.3107 ( 1689 PWs) bands (ev): -2.3212 -2.3212 -2.3149 -2.3149 4.6371 4.6371 4.6384 4.6384 4.8393 4.8393 4.9784 4.9784 6.8458 6.8458 6.8545 6.8545 9.0718 9.0718 9.0918 9.0918 9.2474 9.2474 9.3066 9.3066 9.7172 9.7172 9.7945 9.7945 9.8240 9.8240 9.9385 9.9385 12.3500 12.3500 12.3641 12.3641 16.4689 16.4689 16.5316 16.5316 k = 0.3333 0.5774 0.3214 ( 1686 PWs) bands (ev): -2.3212 -2.3212 -2.3148 -2.3148 4.6360 4.6360 4.6373 4.6373 4.8924 4.8924 4.9240 4.9240 6.8468 6.8468 6.8555 6.8555 9.0721 9.0721 9.0914 9.0914 9.2553 9.2553 9.2977 9.2977 9.7196 9.7196 9.7966 9.7966 9.8215 9.8215 9.9364 9.9364 12.3548 12.3548 12.3688 12.3688 16.4617 16.4617 16.5245 16.5245 Writing output data file NiS.save init_run : 0.15s CPU 0.27s WALL ( 1 calls) electrons : 88.80s CPU 90.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 88.80s CPU 90.88s 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 : 0.03s CPU 0.03s WALL ( 389 calls) cegterg : 80.84s CPU 82.53s WALL ( 444 calls) Called by sum_band: Called by *egterg: h_psi : 40.15s CPU 41.33s WALL ( 7479 calls) s_psi : 3.47s CPU 3.58s WALL ( 7479 calls) g_psi : 0.10s CPU 0.09s WALL ( 6646 calls) cdiaghg : 36.66s CPU 37.25s WALL ( 7035 calls) cegterg:over : 2.33s CPU 2.42s WALL ( 6646 calls) cegterg:upda : 1.50s CPU 1.55s WALL ( 6646 calls) cegterg:last : 1.02s CPU 0.94s WALL ( 1222 calls) cdiaghg:chol : 1.91s CPU 1.90s WALL ( 7035 calls) cdiaghg:inve : 1.19s CPU 1.18s WALL ( 7035 calls) cdiaghg:para : 2.07s CPU 2.07s WALL ( 14070 calls) Called by h_psi: h_psi:vloc : 33.12s CPU 34.12s WALL ( 7479 calls) h_psi:vnl : 6.96s CPU 7.14s WALL ( 7479 calls) add_vuspsi : 4.00s CPU 4.05s WALL ( 7479 calls) General routines calbec : 2.93s CPU 3.07s WALL ( 7479 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 31.42s CPU 32.39s WALL ( 670136 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 778 calls) Parallel routines fft_scatter : 13.95s CPU 14.28s WALL ( 670159 calls) PWSCF : 1m39.82s CPU 1m54.48s WALL This run was terminated on: 20:57:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=